1!BIOSYM archive 3
2PBC=OFF
3Materials Studio Generated CAR File
4!DATE Mon Sep 14 13:11:17 2015
5C1      16.384000778   63.800998688   12.324999809 R1   1      CT      C  -0.180
6H1      15.604000092   64.196998596   12.940999985 R1   1      HC      H   0.060
7H2      16.083999634   63.841999054   11.298999786 R1   1      HC      H   0.060
8H3      16.575000763   62.784999847   12.600000381 R1   1      HC      H   0.060
9C2      17.665000916   64.634002686   12.519000053 R1   1      CT      C  -0.120
10H4      17.965000153   64.593002319   13.545000076 R1   1      HC      H   0.060
11H5      18.444999695   64.237998962   11.902999878 R1   1      HC      H   0.060
12C3      17.389999390   66.096000671   12.123000145 R1   1      CT      C  -0.120
13H6      16.610000610   66.492996216   12.737999916 R1   1      HC      H   0.060
14H7      17.090000153   66.137001038   11.095999718 R1   1      HC      H   0.060
15C4      18.670999527   66.930000305   12.315999985 R1   1      CT      C  -0.120
16H8      19.451000214   66.533996582   11.699999809 R1   1      HC      H   0.060
17H9      18.971000671   66.888999939   13.343000412 R1   1      HC      H   0.060
18C5      18.395999908   68.392997742   11.918999672 R1   1      CT      C  -0.120
19H10     17.617000580   68.789001465   12.534999847 R1   1      HC      H   0.060
20H11     18.096000671   68.433998108   10.892999649 R1   1      HC      H   0.060
21C6      19.677000046   69.224998474   12.114000320 R1   1      CT      C  -0.120
22H12     20.457000732   68.830001831   11.498000145 R1   1      HC      H   0.060
23H13     19.976999283   69.183998108   13.140000343 R1   1      HC      H   0.060
24C7      19.402000427   70.688003540   11.717000008 R1   1      CT      C  -0.120
25H14     18.622999191   71.083999634   12.333000183 R1   1      HC      H   0.060
26H15     19.103000641   70.728996277   10.690999985 R1   1      HC      H   0.060
27C8      20.683000565   71.522003174   11.911000252 R1   1      CT      C  -0.120
28H16     21.464000702   71.125000000   11.295999527 R1   1      HC      H   0.060
29H17     20.982999802   71.480003357   12.937000275 R1   1      HC      H   0.060
30C9      20.409000397   72.984001160   11.515000343 R1   1      CT      C  -0.120
31H18     19.628999710   73.380996704   12.130999565 R1   1      HC      H   0.060
32H19     20.108999252   73.025001526   10.487999916 R1   1      HC      H   0.060
33C10     21.688999176   73.818000793   11.708000183 R1   1      CT      C  -0.180
34H20     22.469999313   73.420997620   11.092000008 R1   1      HC      H   0.060
35H21     21.989000320   73.777000427   12.734999657 R1   1      HC      H   0.060
36H22     21.497999191   74.833999634   11.432000160 R1   1      HC      H   0.060
37C1      39.819999695   62.223999023   60.667999268 R2   2      CT      C  -0.180
38H1      39.419998169   62.605998993   61.583999634 R2   2      HC      H   0.060
39H2      39.367000580   62.730998993   59.841999054 R2   2      HC      H   0.060
40H3      39.615001678   61.175998688   60.598999023 R2   2      HC      H   0.060
41C2      41.342998505   62.451000214   60.638000488 R2   2      CT      C  -0.120
42H4      41.794998169   61.944000244   61.464000702 R2   2      HC      H   0.060
43H5      41.743000031   62.068000793   59.722000122 R2   2      HC      H   0.060
44C3      41.638000488   63.958999634   60.736999512 R2   2      CT      C  -0.120
45H6      41.238998413   64.342002869   61.652000427 R2   2      HC      H   0.060
46H7      41.186000824   64.466003418   59.909000397 R2   2      HC      H   0.060
47C4      43.160999298   64.186996460   60.706001282 R2   2      CT      C  -0.120
48H8      43.562000275   63.804000854   59.790000916 R2   2      HC      H   0.060
49H9      43.613998413   63.680000305   61.533000946 R2   2      HC      H   0.060
50C5      43.457000732   65.694999695   60.804000854 R2   2      CT      C  -0.120
51H10     43.057998657   66.078002930   61.720001221 R2   2      HC      H   0.060
52H11     43.004001617   66.202003479   59.978000641 R2   2      HC      H   0.060
53C6      44.979999542   65.921997070   60.773998260 R2   2      CT      C  -0.120
54H12     45.380001068   65.540000916   59.859001160 R2   2      HC      H   0.060
55H13     45.431999207   65.415000916   61.599998474 R2   2      HC      H   0.060
56C7      45.276000977   67.430000305   60.873001099 R2   2      CT      C  -0.120
57H14     44.875999451   67.813003540   61.787998199 R2   2      HC      H   0.060
58H15     44.823001862   67.936996460   60.047000885 R2   2      HC      H   0.060
59C8      46.798999786   67.657997131   60.842998505 R2   2      CT      C  -0.120
60H16     47.199001312   67.275001526   59.926998138 R2   2      HC      H   0.060
61H17     47.250999451   67.151000977   61.668998718 R2   2      HC      H   0.060
62C9      47.094001770   69.166000366   60.941001892 R2   2      CT      C  -0.120
63H18     46.694999695   69.549003601   61.856998444 R2   2      HC      H   0.060
64H19     46.641998291   69.672996521   60.113998413 R2   2      HC      H   0.060
65C10     48.617000580   69.393997192   60.909999847 R2   2      CT      C  -0.180
66H20     49.018001556   69.011001587   59.994998932 R2   2      HC      H   0.060
67H21     49.069999695   68.887001038   61.736999512 R2   2      HC      H   0.060
68H22     48.823001862   70.442001343   60.979000092 R2   2      HC      H   0.060
69C1      63.646999359   71.827003479   11.380999565 R3   3      CT      C  -0.180
70H1      63.430000305   71.861000061   12.428000450 R3   3      HC      H   0.060
71H2      64.678001404   72.059997559   11.222999573 R3   3      HC      H   0.060
72H3      63.035999298   72.540000916   10.866999626 R3   3      HC      H   0.060
73C2      63.349998474   70.415000916   10.842000008 R3   3      CT      C  -0.120
74H4      62.318000793   70.181999207   11.001000404 R3   3      HC      H   0.060
75H5      63.566001892   70.380996704    9.793999672 R3   3      HC      H   0.060
76C3      64.228996277   69.388999939   11.581000328 R3   3      CT      C  -0.120
77H6      64.012001038   69.421997070   12.628000259 R3   3      HC      H   0.060
78H7      65.261001587   69.622001648   11.421999931 R3   3      HC      H   0.060
79C4      63.932998657   67.976997375   11.041000366 R3   3      CT      C  -0.120
80H8      64.150001526   67.942001343    9.994000435 R3   3      HC      H   0.060
81H9      62.901000977   67.742996216   11.201000214 R3   3      HC      H   0.060
82C5      64.811996460   66.949996948   11.781000137 R3   3      CT      C  -0.120
83H10     64.595001221   66.984001160   12.828000069 R3   3      HC      H   0.060
84H11     65.844001770   67.183998108   11.621999741 R3   3      HC      H   0.060
85C6      64.514999390   65.539001465   11.241000175 R3   3      CT      C  -0.120
86H12     64.732002258   65.503997803   10.194000244 R3   3      HC      H   0.060
87H13     63.484001160   65.305000305   11.399999619 R3   3      HC      H   0.060
88C7      65.393997192   64.512001038   11.980999947 R3   3      CT      C  -0.120
89H14     65.177001953   64.545997620   13.027999878 R3   3      HC      H   0.060
90H15     66.425003052   64.746002197   11.821999550 R3   3      HC      H   0.060
91C8      65.097999573   63.099998474   11.442000389 R3   3      CT      C  -0.120
92H16     65.314002991   63.066001892   10.394000053 R3   3      HC      H   0.060
93H17     64.066001892   62.867000580   11.600999832 R3   3      HC      H   0.060
94C9      65.975997925   62.074001312   12.180999756 R3   3      CT      C  -0.120
95H18     65.760002136   62.108001709   13.227999687 R3   3      HC      H   0.060
96H19     67.009002686   62.306999207   12.022000313 R3   3      HC      H   0.060
97C10     65.680999756   60.661998749   11.640999794 R3   3      CT      C  -0.180
98H20     65.897003174   60.626998901   10.593999863 R3   3      HC      H   0.060
99H21     64.649002075   60.428001404   11.800999641 R3   3      HC      H   0.060
100H22     66.291000366   59.949001312   12.154999733 R3   3      HC      H   0.060
101C1      63.787998199   18.488000870   56.018001556 R4   4      CT      C  -0.180
102H1      62.749000549   18.711000443   56.131999969 R4   4      HC      H   0.060
103H2      64.324996948   19.386999130   55.800998688 R4   4      HC      H   0.060
104H3      63.917999268   17.792999268   55.214000702 R4   4      HC      H   0.060
105C2      64.327003479   17.870000839   57.320999146 R4   4      CT      C  -0.120
106H4      63.791000366   16.969999313   57.537998199 R4   4      HC      H   0.060
107H5      65.366996765   17.645000458   57.207000732 R4   4      HC      H   0.060
108C3      64.140998840   18.868999481   58.478000641 R4   4      CT      C  -0.120
109H6      63.102001190   19.093000412   58.592998505 R4   4      HC      H   0.060
110H7      64.679000854   19.768999100   58.261001587 R4   4      HC      H   0.060
111C4      64.680999756   18.252000809   59.782001495 R4   4      CT      C  -0.120
112H8      65.721000671   18.027999878   59.666999817 R4   4      HC      H   0.060
113H9      64.143997192   17.351999283   59.999000549 R4   4      HC      H   0.060
114C5      64.495002747   19.252000809   60.937999725 R4   4      CT      C  -0.120
115H10     63.456001282   19.475000381   61.053001404 R4   4      HC      H   0.060
116H11     65.031997681   20.152000427   60.722000122 R4   4      HC      H   0.060
117C6      65.033996582   18.634000778   62.242000580 R4   4      CT      C  -0.120
118H12     66.073997498   18.409999847   62.127998352 R4   4      HC      H   0.060
119H13     64.498001099   17.733999252   62.458000183 R4   4      HC      H   0.060
120C7      64.848999023   19.632999420   63.397998810 R4   4      CT      C  -0.120
121H14     63.808998108   19.857000351   63.513000488 R4   4      HC      H   0.060
122H15     65.385002136   20.533000946   63.181999207 R4   4      HC      H   0.060
123C8      65.387001038   19.016000748   64.703002930 R4   4      CT      C  -0.120
124H16     66.428001404   18.791999817   64.587997437 R4   4      HC      H   0.060
125H17     64.850997925   18.115999222   64.918998718 R4   4      HC      H   0.060
126C9      65.202003479   20.016000748   65.859001160 R4   4      CT      C  -0.120
127H18     64.162002563   20.239000320   65.973999023 R4   4      HC      H   0.060
128H19     65.738998413   20.916000366   65.641998291 R4   4      HC      H   0.060
129C10     65.740997314   19.398000717   67.163002014 R4   4      CT      C  -0.180
130H20     66.781997681   19.173999786   67.049003601 R4   4      HC      H   0.060
131H21     65.204002380   18.497999191   67.379997253 R4   4      HC      H   0.060
132H22     65.611999512   20.093000412   67.967002869 R4   4      HC      H   0.060
133C1      30.849000931   33.764999390   27.898000717 R5   5      CT      C  -0.180
134H1      31.791000366   33.981998444   28.354999542 R5   5      HC      H   0.060
135H2      30.201999664   33.305000305   28.614999771 R5   5      HC      H   0.060
136H3      30.997999191   33.099998474   27.073999405 R5   5      HC      H   0.060
137C2      30.209999084   35.071998596   27.392999649 R5   5      CT      C  -0.120
138H4      30.857000351   35.532001495   26.677000046 R5   5      HC      H   0.060
139H5      29.267000198   34.854999542   26.934999466 R5   5      HC      H   0.060
140C3      29.995000839   36.028999329   28.579999924 R5   5      CT      C  -0.120
141H6      30.937000275   36.247001648   29.038000107 R5   5      HC      H   0.060
142H7      29.347000122   35.569000244   29.297000885 R5   5      HC      H   0.060
143C4      29.354999542   37.335998535   28.076000214 R5   5      CT      C  -0.120
144H8      28.412000656   37.118999481   27.618000031 R5   5      HC      H   0.060
145H9      30.003000259   37.797000885   27.358999252 R5   5      HC      H   0.060
146C5      29.139999390   38.293998718   29.263000488 R5   5      CT      C  -0.120
147H10     30.082000732   38.512001038   29.721000671 R5   5      HC      H   0.060
148H11     28.493000031   37.833999634   29.979999542 R5   5      HC      H   0.060
149C6      28.500999451   39.601001740   28.757999420 R5   5      CT      C  -0.120
150H12     27.558000565   39.383998871   28.301000595 R5   5      HC      H   0.060
151H13     29.148000717   40.061000824   28.041000366 R5   5      HC      H   0.060
152C7      28.285999298   40.557998657   29.944999695 R5   5      CT      C  -0.120
153H14     29.228000641   40.776000977   30.402999878 R5   5      HC      H   0.060
154H15     27.638999939   40.097999573   30.662000656 R5   5      HC      H   0.060
155C8      27.646999359   41.866001129   29.440999985 R5   5      CT      C  -0.120
156H16     26.704000473   41.648998260   28.982999802 R5   5      HC      H   0.060
157H17     28.294000626   42.326000214   28.724000931 R5   5      HC      H   0.060
158C9      27.431999207   42.823001862   30.628000259 R5   5      CT      C  -0.120
159H18     28.374000549   43.041000366   31.086000443 R5   5      HC      H   0.060
160H19     26.784000397   42.362998962   31.344999313 R5   5      HC      H   0.060
161C10     26.791999817   44.131000519   30.124000549 R5   5      CT      C  -0.180
162H20     25.849000931   43.912998199   29.665000916 R5   5      HC      H   0.060
163H21     27.440000534   44.590999603   29.406999588 R5   5      HC      H   0.060
164H22     26.642999649   44.796001434   30.948999405 R5   5      HC      H   0.060
165C1      72.371002197   64.915000916   53.083999634 R6   6      CT      C  -0.180
166H1      73.000999451   65.225997925   53.889999390 R6   6      HC      H   0.060
167H2      71.389999390   65.319000244   53.222000122 R6   6      HC      H   0.060
168H3      72.318000793   63.847000122   53.066001892 R6   6      HC      H   0.060
169C2      72.953002930   65.421997070   51.751998901 R6   6      CT      C  -0.120
170H4      73.933998108   65.018997192   51.615001678 R6   6      HC      H   0.060
171H5      72.322998047   65.110000610   50.944999695 R6   6      HC      H   0.060
172C3      73.029998779   66.959999084   51.778999329 R6   6      CT      C  -0.120
173H6      73.660003662   67.272003174   52.584999084 R6   6      HC      H   0.060
174H7      72.047996521   67.363998413   51.916000366 R6   6      HC      H   0.060
175C4      73.611000061   67.469001770   50.445999146 R6   6      CT      C  -0.120
176H8      72.981002808   67.156997681   49.638999939 R6   6      HC      H   0.060
177H9      74.593002319   67.065002441   50.308998108 R6   6      HC      H   0.060
178C5      73.688003540   69.007003784   50.472999573 R6   6      CT      C  -0.120
179H10     74.318000793   69.319000244   51.278999329 R6   6      HC      H   0.060
180H11     72.707000732   69.410003662   50.610000610 R6   6      HC      H   0.060
181C6      74.269996643   69.513999939   49.139999390 R6   6      CT      C  -0.120
182H12     73.639999390   69.203002930   48.333000183 R6   6      HC      H   0.060
183H13     75.250999451   69.110000610   49.002998352 R6   6      HC      H   0.060
184C7      74.347000122   71.052001953   49.166999817 R6   6      CT      C  -0.120
185H14     74.976997375   71.363998413   49.972999573 R6   6      HC      H   0.060
186H15     73.365997314   71.455001831   49.304000854 R6   6      HC      H   0.060
187C8      74.929000854   71.559997559   47.834999084 R6   6      CT      C  -0.120
188H16     74.299003601   71.248001099   47.027999878 R6   6      HC      H   0.060
189H17     75.910003662   71.155998230   47.696998596 R6   6      HC      H   0.060
190C9      75.004997253   73.097999573   47.861000061 R6   6      CT      C  -0.120
191H18     75.636001587   73.410003662   48.666999817 R6   6      HC      H   0.060
192H19     74.023002625   73.501998901   47.998001099 R6   6      HC      H   0.060
193C10     75.586997986   73.606002808   46.527999878 R6   6      CT      C  -0.180
194H20     74.957000732   73.293998718   45.722000122 R6   6      HC      H   0.060
195H21     76.569000244   73.203002930   46.391998291 R6   6      HC      H   0.060
196H22     75.639999390   74.675003052   46.547000885 R6   6      HC      H   0.060
197C1      43.839000702   54.831001282   22.774000168 R7   7      CT      C  -0.180
198H1      43.709999084   53.771999359   22.704000473 R7   7      HC      H   0.060
199H2      43.222999573   55.314998627   22.045000076 R7   7      HC      H   0.060
200H3      44.863998413   55.077999115   22.594999313 R7   7      HC      H   0.060
201C2      43.436000824   55.305000305   24.183000565 R7   7      CT      C  -0.120
202H4      44.050998688   54.820999146   24.912000656 R7   7      HC      H   0.060
203H5      43.566001892   56.365001678   24.253999710 R7   7      HC      H   0.060
204C3      41.958999634   54.950000763   24.440000534 R7   7      CT      C  -0.120
205H6      41.830001831   53.890998840   24.370000839 R7   7      HC      H   0.060
206H7      41.344001770   55.435001373   23.711000443 R7   7      HC      H   0.060
207C4      41.555000305   55.424999237   25.849000931 R7   7      CT      C  -0.120
208H8      41.685001373   56.485000610   25.920000076 R7   7      HC      H   0.060
209H9      42.171001434   54.939998627   26.577999115 R7   7      HC      H   0.060
210C5      40.078998566   55.069999695   26.106000900 R7   7      CT      C  -0.120
211H10     39.949001312   54.009998322   26.035999298 R7   7      HC      H   0.060
212H11     39.463001251   55.554000854   25.377000809 R7   7      HC      H   0.060
213C6      39.675998688   55.543998718   27.514999390 R7   7      CT      C  -0.120
214H12     39.805000305   56.603000641   27.586000443 R7   7      HC      H   0.060
215H13     40.291000366   55.060001373   28.243999481 R7   7      HC      H   0.060
216C7      38.200000763   55.188999176   27.771999359 R7   7      CT      C  -0.120
217H14     38.069999695   54.129001617   27.701999664 R7   7      HC      H   0.060
218H15     37.583999634   55.673000336   27.042999268 R7   7      HC      H   0.060
219C8      37.796001434   55.661998749   29.180999756 R7   7      CT      C  -0.120
220H16     37.925998688   56.722000122   29.252000809 R7   7      HC      H   0.060
221H17     38.410999298   55.178001404   29.909999847 R7   7      HC      H   0.060
222C9      36.319000244   55.306999207   29.438999176 R7   7      CT      C  -0.120
223H18     36.189998627   54.248001099   29.368000031 R7   7      HC      H   0.060
224H19     35.703998566   55.791999817   28.708999634 R7   7      HC      H   0.060
225C10     35.915000916   55.782001495   30.847000122 R7   7      CT      C  -0.180
226H20     36.044998169   56.841999054   30.917999268 R7   7      HC      H   0.060
227H21     36.530998230   55.297000885   31.576000214 R7   7      HC      H   0.060
228H22     34.888999939   55.534999847   31.025999069 R7   7      HC      H   0.060
229C1      29.364000320   59.396999359   43.285999298 R8   8      CT      C  -0.180
230H1      29.547000885   60.432998657   43.478000641 R8   8      HC      H   0.060
231H2      29.766000748   59.133998871   42.330001831 R8   8      HC      H   0.060
232H3      28.309999466   59.214000702   43.291000366 R8   8      HC      H   0.060
233C2      30.037000656   58.544998169   44.377998352 R8   8      CT      C  -0.120
234H4      29.635000229   58.807998657   45.333999634 R8   8      HC      H   0.060
235H5      29.853000641   57.508998871   44.187000275 R8   8      HC      H   0.060
236C3      31.555000305   58.807998657   44.369998932 R8   8      CT      C  -0.120
237H6      31.739000320   59.844001770   44.562000275 R8   8      HC      H   0.060
238H7      31.957000732   58.544998169   43.412998199 R8   8      HC      H   0.060
239C4      32.229000092   57.956001282   45.462001801 R8   8      CT      C  -0.120
240H8      32.044998169   56.918998718   45.270000458 R8   8      HC      H   0.060
241H9      31.826999664   58.219001770   46.417999268 R8   8      HC      H   0.060
242C5      33.747001648   58.219001770   45.452999115 R8   8      CT      C  -0.120
243H10     33.930000305   59.255001068   45.645999908 R8   8      HC      H   0.060
244H11     34.148998260   57.956001282   44.498001099 R8   8      HC      H   0.060
245C6      34.419998169   57.367000580   46.546001434 R8   8      CT      C  -0.120
246H12     34.236999512   56.330001831   46.354000092 R8   8      HC      H   0.060
247H13     34.018001556   57.630001068   47.501998901 R8   8      HC      H   0.060
248C7      35.937000275   57.630001068   46.537998199 R8   8      CT      C  -0.120
249H14     36.120998383   58.666000366   46.729999542 R8   8      HC      H   0.060
250H15     36.340000153   57.367000580   45.582000732 R8   8      HC      H   0.060
251C8      36.611999512   56.777999878   47.630001068 R8   8      CT      C  -0.120
252H16     36.428001404   55.741001129   47.438999176 R8   8      HC      H   0.060
253H17     36.208999634   57.041000366   48.585998535 R8   8      HC      H   0.060
254C9      38.129001617   57.041000366   47.622001648 R8   8      CT      C  -0.120
255H18     38.312999725   58.076999664   47.813999176 R8   8      HC      H   0.060
256H19     38.530998230   56.777000427   46.666000366 R8   8      HC      H   0.060
257C10     38.803001404   56.188999176   48.714000702 R8   8      CT      C  -0.180
258H20     38.619998932   55.152000427   48.521999359 R8   8      HC      H   0.060
259H21     38.401000977   56.451999664   49.669998169 R8   8      HC      H   0.060
260H22     39.858001709   56.370998383   48.708000183 R8   8      HC      H   0.060
261C1      66.401000977   23.624000549   59.834999084 R9   9      CT      C  -0.180
262H1      66.916999817   23.014999390   59.124000549 R9   9      HC      H   0.060
263H2      66.359001160   23.118000031   60.776000977 R9   9      HC      H   0.060
264H3      65.406997681   23.812999725   59.486999512 R9   9      HC      H   0.060
265C2      67.148002625   24.961000443   60.002998352 R9   9      CT      C  -0.120
266H4      67.189002991   25.466999054   59.062000275 R9   9      HC      H   0.060
267H5      66.630996704   25.570999146   60.714000702 R9   9      HC      H   0.060
268C3      68.578002930   24.688999176   60.504001617 R9   9      CT      C  -0.120
269H6      69.095001221   24.079000473   59.792999268 R9   9      HC      H   0.060
270H7      68.536003113   24.181999207   61.445999146 R9   9      HC      H   0.060
271C4      69.325996399   26.024999619   60.673000336 R9   9      CT      C  -0.120
272H8      68.808998108   26.635999680   61.383998871 R9   9      HC      H   0.060
273H9      69.367996216   26.531000137   59.730998993 R9   9      HC      H   0.060
274C5      70.755996704   25.753000259   61.173999786 R9   9      CT      C  -0.120
275H10     71.273002625   25.142999649   60.463001251 R9   9      HC      H   0.060
276H11     70.714996338   25.246999741   62.115001678 R9   9      HC      H   0.060
277C6      71.502998352   27.090000153   61.341999054 R9   9      CT      C  -0.120
278H12     70.986999512   27.700000763   62.054000854 R9   9      HC      H   0.060
279H13     71.544998169   27.596000671   60.401000977 R9   9      HC      H   0.060
280C7      72.933998108   26.818000793   61.842998505 R9   9      CT      C  -0.120
281H14     73.450996399   26.208000183   61.131999969 R9   9      HC      H   0.060
282H15     72.891998291   26.311000824   62.784000397 R9   9      HC      H   0.060
283C8      73.680999756   28.153999329   62.012001038 R9   9      CT      C  -0.120
284H16     73.165000916   28.763999939   62.722999573 R9   9      HC      H   0.060
285H17     73.722999573   28.659999847   61.070999146 R9   9      HC      H   0.060
286C9      75.111999512   27.881999969   62.512001038 R9   9      CT      C  -0.120
287H18     75.628997803   27.271999359   61.800998688 R9   9      HC      H   0.060
288H19     75.069999695   27.375000000   63.453998566 R9   9      HC      H   0.060
289C10     75.859001160   29.218000412   62.681999207 R9   9      CT      C  -0.180
290H20     75.343002319   29.829000473   63.393001556 R9   9      HC      H   0.060
291H21     75.901000977   29.725000381   61.740001678 R9   9      HC      H   0.060
292H22     76.853996277   29.028999329   63.029998779 R9   9      HC      H   0.060
293C1      33.969001770   53.136001587   48.785999298 R10  10     CT      C  -0.180
294H1      33.566001892   53.285999298   47.806999207 R10  10     HC      H   0.060
295H2      33.402999878   53.701000214   49.495998383 R10  10     HC      H   0.060
296H3      34.988998413   53.458999634   48.805000305 R10  10     HC      H   0.060
297C2      33.898998260   51.640998840   49.145999908 R10  10     CT      C  -0.120
298H4      34.465000153   51.076000214   48.436000824 R10  10     HC      H   0.060
299H5      34.303001404   51.490001678   50.125000000 R10  10     HC      H   0.060
300C3      32.430999756   51.174999237   49.118999481 R10  10     CT      C  -0.120
301H6      32.027000427   51.325000763   48.139999390 R10  10     HC      H   0.060
302H7      31.864000320   51.741001129   49.830001831 R10  10     HC      H   0.060
303C4      32.359001160   49.680000305   49.479999542 R10  10     CT      C  -0.120
304H8      32.763999939   49.528999329   50.458999634 R10  10     HC      H   0.060
305H9      32.925998688   49.113998413   48.769001007 R10  10     HC      H   0.060
306C5      30.891000748   49.215000153   49.452999115 R10  10     CT      C  -0.120
307H10     30.488000870   49.363998413   48.473999023 R10  10     HC      H   0.060
308H11     30.325000763   49.778999329   50.162998199 R10  10     HC      H   0.060
309C6      30.820999146   47.719001770   49.812999725 R10  10     CT      C  -0.120
310H12     31.224000931   47.568000793   50.791999817 R10  10     HC      H   0.060
311H13     31.386999130   47.153999329   49.103000641 R10  10     HC      H   0.060
312C7      29.353000641   47.254001617   49.785999298 R10  10     CT      C  -0.120
313H14     28.948999405   47.403999329   48.806999207 R10  10     HC      H   0.060
314H15     28.787000656   47.819000244   50.495998383 R10  10     HC      H   0.060
315C8      29.281999588   45.757999420   50.145999908 R10  10     CT      C  -0.120
316H16     29.686000824   45.606998444   51.125999451 R10  10     HC      H   0.060
317H17     29.847999573   45.193000793   49.436000824 R10  10     HC      H   0.060
318C9      27.813999176   45.292999268   50.118999481 R10  10     CT      C  -0.120
319H18     27.409999847   45.442001343   49.139999390 R10  10     HC      H   0.060
320H19     27.247999191   45.858001709   50.830001831 R10  10     HC      H   0.060
321C10     27.743000031   43.797000885   50.479999542 R10  10     CT      C  -0.180
322H20     28.146999359   43.645999908   51.459999084 R10  10     HC      H   0.060
323H21     28.309000015   43.231998444   49.769001007 R10  10     HC      H   0.060
324H22     26.722999573   43.473999023   50.460998535 R10  10     HC      H   0.060
325C1      70.352996826   66.314002991   24.617000580 R11  11     CT      C  -0.180
326H1      70.296997070   66.897003174   23.722999573 R11  11     HC      H   0.060
327H2      70.294998169   66.958000183   25.468999863 R11  11     HC      H   0.060
328H3      71.279998779   65.779998779   24.635999680 R11  11     HC      H   0.060
329C2      69.183998108   65.310997009   24.649999619 R11  11     CT      C  -0.120
330H4      69.241996765   64.666999817   23.798999786 R11  11     HC      H   0.060
331H5      69.240997314   64.725997925   25.545000076 R11  11     HC      H   0.060
332C3      67.849998474   66.080001831   24.622999191 R11  11     CT      C  -0.120
333H6      67.791999817   66.664001465   23.729000092 R11  11     HC      H   0.060
334H7      67.791000366   66.723999023   25.475999832 R11  11     HC      H   0.060
335C4      66.680000305   65.078002930   24.656999588 R11  11     CT      C  -0.120
336H8      66.736000061   64.492996216   25.552000046 R11  11     HC      H   0.060
337H9      66.737998962   64.432998657   23.805000305 R11  11     HC      H   0.060
338C5      65.345001221   65.846000671   24.629999161 R11  11     CT      C  -0.120
339H10     65.288002014   66.430000305   23.735000610 R11  11     HC      H   0.060
340H11     65.287002563   66.490997314   25.481000900 R11  11     HC      H   0.060
341C6      64.176002502   64.844001770   24.663000107 R11  11     CT      C  -0.120
342H12     64.232002258   64.259002686   25.556999207 R11  11     HC      H   0.060
343H13     64.235000610   64.198997498   23.811000824 R11  11     HC      H   0.060
344C7      62.841999054   65.611999512   24.635999680 R11  11     CT      C  -0.120
345H14     62.784999847   66.195999146   23.740999222 R11  11     HC      H   0.060
346H15     62.784000397   66.257003784   25.486999512 R11  11     HC      H   0.060
347C8      61.672000885   64.610000610   24.669000626 R11  11     CT      C  -0.120
348H16     61.729000092   64.025001526   25.562999725 R11  11     HC      H   0.060
349H17     61.729999542   63.965999603   23.816999435 R11  11     HC      H   0.060
350C9      60.338001251   65.378997803   24.642000198 R11  11     CT      C  -0.120
351H18     60.279998779   65.962997437   23.746999741 R11  11     HC      H   0.060
352H19     60.278999329   66.023002625   25.493999481 R11  11     HC      H   0.060
353C10     59.167999268   64.376998901   24.676000595 R11  11     CT      C  -0.180
354H20     59.223999023   63.791999817   25.569999695 R11  11     HC      H   0.060
355H21     59.226001740   63.731998444   23.822999954 R11  11     HC      H   0.060
356H22     58.241001129   64.911003113   24.656999588 R11  11     HC      H   0.060
357C1      56.131999969   20.805000305   49.959999084 R12  12     CT      C  -0.180
358H1      56.470001221   19.933000565   49.441001892 R12  12     HC      H   0.060
359H2      56.972999573   21.329000473   50.362998962 R12  12     HC      H   0.060
360H3      55.477001190   20.516000748   50.755001068 R12  12     HC      H   0.060
361C2      55.375999451   21.722999573   48.980998993 R12  12     CT      C  -0.120
362H4      54.534999847   21.198999405   48.577999115 R12  12     HC      H   0.060
363H5      55.036998749   22.594999313   49.500000000 R12  12     HC      H   0.060
364C3      56.318000793   22.139999390   47.837001801 R12  12     CT      C  -0.120
365H6      56.657001495   21.267999649   47.318000793 R12  12     HC      H   0.060
366H7      57.159000397   22.665000916   48.241001129 R12  12     HC      H   0.060
367C4      55.562999725   23.059000015   46.858001709 R12  12     CT      C  -0.120
368H8      55.222999573   23.930999756   47.376998901 R12  12     HC      H   0.060
369H9      54.722000122   22.534000397   46.455001831 R12  12     HC      H   0.060
370C5      56.505001068   23.475000381   45.714000702 R12  12     CT      C  -0.120
371H10     56.844001770   22.603000641   45.194999695 R12  12     HC      H   0.060
372H11     57.346000671   23.999000549   46.117000580 R12  12     HC      H   0.060
373C6      55.749000549   24.392999649   44.736000061 R12  12     CT      C  -0.120
374H12     55.409999847   25.266000748   45.254001617 R12  12     HC      H   0.060
375H13     54.908000946   23.868999481   44.332000732 R12  12     HC      H   0.060
376C7      56.691001892   24.809999466   43.590999603 R12  12     CT      C  -0.120
377H14     57.028999329   23.937999725   43.071998596 R12  12     HC      H   0.060
378H15     57.532001495   25.333999634   43.993999481 R12  12     HC      H   0.060
379C8      55.935001373   25.728000641   42.611999512 R12  12     CT      C  -0.120
380H16     55.596000671   26.600999832   43.131000519 R12  12     HC      H   0.060
381H17     55.094001770   25.204000473   42.208999634 R12  12     HC      H   0.060
382C9      56.877998352   26.145000458   41.467998505 R12  12     CT      C  -0.120
383H18     57.215999603   25.273000717   40.949001312 R12  12     HC      H   0.060
384H19     57.719001770   26.670000076   41.870998383 R12  12     HC      H   0.060
385C10     56.122001648   27.063999176   40.488998413 R12  12     CT      C  -0.180
386H20     55.783000946   27.936000824   41.007999420 R12  12     HC      H   0.060
387H21     55.280998230   26.538999557   40.084999084 R12  12     HC      H   0.060
388H22     56.777000427   27.353000641   39.694000244 R12  12     HC      H   0.060
389C1      49.430999756   37.528999329   75.371002197 R13  13     CT      C  -0.180
390H1      49.006999969   37.609001160   76.349998474 R13  13     HC      H   0.060
391H2      48.668998718   37.687000275   74.638000488 R13  13     HC      H   0.060
392H3      49.851001740   36.553001404   75.245002747 R13  13     HC      H   0.060
393C2      50.535999298   38.588001251   75.200996399 R13  13     CT      C  -0.120
394H4      51.298000336   38.430000305   75.934997559 R13  13     HC      H   0.060
395H5      50.960998535   38.506999969   74.222000122 R13  13     HC      H   0.060
396C3      49.930999756   39.993000031   75.384002686 R13  13     CT      C  -0.120
397H6      49.506999969   40.074001312   76.361999512 R13  13     HC      H   0.060
398H7      49.168998718   40.151000977   74.649002075 R13  13     HC      H   0.060
399C4      51.034999847   41.053001404   75.211997986 R13  13     CT      C  -0.120
400H8      51.459999084   40.972000122   74.234001160 R13  13     HC      H   0.060
401H9      51.798000336   40.895000458   75.946998596 R13  13     HC      H   0.060
402C5      50.430999756   42.458000183   75.394996643 R13  13     CT      C  -0.120
403H10     50.006999969   42.539001465   76.373001099 R13  13     HC      H   0.060
404H11     49.668998718   42.616001129   74.661003113 R13  13     HC      H   0.060
405C6      51.535999298   43.516998291   75.224998474 R13  13     CT      C  -0.120
406H12     51.959999084   43.437000275   74.246002197 R13  13     HC      H   0.060
407H13     52.298000336   43.359001160   75.958000183 R13  13     HC      H   0.060
408C7      50.930999756   44.922000885   75.406997681 R13  13     CT      C  -0.120
409H14     50.506999969   45.002998352   76.386001587 R13  13     HC      H   0.060
410H15     50.168998718   45.080001831   74.672996521 R13  13     HC      H   0.060
411C8      52.035999298   45.981998444   75.236999512 R13  13     CT      C  -0.120
412H16     52.460998535   45.901000977   74.258003235 R13  13     HC      H   0.060
413H17     52.798000336   45.824001312   75.971000671 R13  13     HC      H   0.060
414C9      51.430999756   47.387001038   75.418998718 R13  13     CT      C  -0.120
415H18     51.006999969   47.467998505   76.398002625 R13  13     HC      H   0.060
416H19     50.668998718   47.544998169   74.684997559 R13  13     HC      H   0.060
417C10     52.534999847   48.446998596   75.248001099 R13  13     CT      C  -0.180
418H20     52.959999084   48.366001129   74.268997192 R13  13     HC      H   0.060
419H21     53.298000336   48.289001465   75.983001709 R13  13     HC      H   0.060
420H22     52.115001678   49.423000336   75.375000000 R13  13     HC      H   0.060
421C1      12.800000191   32.312000275   41.147998810 R14  14     CT      C  -0.180
422H1      12.821000099   33.001998901   40.331001282 R14  14     HC      H   0.060
423H2      13.067000389   32.819999695   42.050998688 R14  14     HC      H   0.060
424H3      13.496999741   31.520999908   40.965000153 R14  14     HC      H   0.060
425C2      11.383000374   31.724000931   41.287998199 R14  14     CT      C  -0.120
426H4      11.116999626   31.216999054   40.384998322 R14  14     HC      H   0.060
427H5      11.362000465   31.033000946   42.104999542 R14  14     HC      H   0.060
428C3      10.380000114   32.862998962   41.551998138 R14  14     CT      C  -0.120
429H6      10.401000023   33.553001404   40.735000610 R14  14     HC      H   0.060
430H7      10.647000313   33.369998932   42.456001282 R14  14     HC      H   0.060
431C4       8.963000298   32.276000977   41.693000793 R14  14     CT      C  -0.120
432H8       8.942000389   31.584999084   42.509998322 R14  14     HC      H   0.060
433H9       8.696999550   31.767999649   40.789001465 R14  14     HC      H   0.060
434C5       7.960000038   33.414001465   41.957000732 R14  14     CT      C  -0.120
435H10      7.980000019   34.104999542   41.139999390 R14  14     HC      H   0.060
436H11      8.227000237   33.922000885   42.860000610 R14  14     HC      H   0.060
437C6       6.543000221   32.826999664   42.097000122 R14  14     CT      C  -0.120
438H12      6.521999836   32.137001038   42.914001465 R14  14     HC      H   0.060
439H13      6.276999950   32.319000244   41.194000244 R14  14     HC      H   0.060
440C7       5.539999962   33.965000153   42.361000061 R14  14     CT      C  -0.120
441H14      5.560999870   34.655998230   41.543998718 R14  14     HC      H   0.060
442H15      5.807000160   34.472999573   43.263999939 R14  14     HC      H   0.060
443C8       4.123000145   33.379001617   42.500999451 R14  14     CT      C  -0.120
444H16      4.102000237   32.687999725   43.318000793 R14  14     HC      H   0.060
445H17      3.857000113   32.870998383   41.597999573 R14  14     HC      H   0.060
446C9       3.119999886   34.516998291   42.764999390 R14  14     CT      C  -0.120
447H18      3.140000105   35.207000732   41.948001862 R14  14     HC      H   0.060
448H19      3.387000084   35.025001526   43.668998718 R14  14     HC      H   0.060
449C10      1.702999949   33.930000305   42.905998230 R14  14     CT      C  -0.180
450H20      1.682000041   33.238998413   43.722999573 R14  14     HC      H   0.060
451H21      1.435999990   33.423000336   42.001998901 R14  14     HC      H   0.060
452H22      1.006000042   34.721000671   43.090000153 R14  14     HC      H   0.060
453C1      47.393001556   45.785999298   31.452999115 R15  15     CT      C  -0.180
454H1      46.657001495   45.712001801   32.224998474 R15  15     HC      H   0.060
455H2      47.425998688   46.790000916   31.084999084 R15  15     HC      H   0.060
456H3      47.138000488   45.122001648   30.653999329 R15  15     HC      H   0.060
457C2      48.771999359   45.401000977   32.020000458 R15  15     CT      C  -0.120
458H4      48.738998413   44.396999359   32.387001038 R15  15     HC      H   0.060
459H5      49.508998871   45.473999023   31.246999741 R15  15     HC      H   0.060
460C3      49.138999939   46.358001709   33.169998169 R15  15     CT      C  -0.120
461H6      48.402999878   46.284000397   33.943000793 R15  15     HC      H   0.060
462H7      49.172000885   47.361999512   32.801998138 R15  15     HC      H   0.060
463C4      50.519001007   45.973999023   33.736999512 R15  15     CT      C  -0.120
464H8      51.255001068   46.047000885   32.964000702 R15  15     HC      H   0.060
465H9      50.485000610   44.970001221   34.104999542 R15  15     HC      H   0.060
466C5      50.884998322   46.930000305   34.887001038 R15  15     CT      C  -0.120
467H10     50.148998260   46.856998444   35.659999847 R15  15     HC      H   0.060
468H11     50.917999268   47.933998108   34.519001007 R15  15     HC      H   0.060
469C6      52.263999939   46.544998169   35.452999115 R15  15     CT      C  -0.120
470H12     53.000999451   46.618999481   34.680999756 R15  15     HC      H   0.060
471H13     52.230998993   45.541999817   35.820999146 R15  15     HC      H   0.060
472C7      52.631000519   47.501998901   36.604000092 R15  15     CT      C  -0.120
473H14     51.895000458   47.429000854   37.376998901 R15  15     HC      H   0.060
474H15     52.662998199   48.506000519   36.236000061 R15  15     HC      H   0.060
475C8      54.009998322   47.118000031   37.171001434 R15  15     CT      C  -0.120
476H16     54.747001648   47.189998627   36.397998810 R15  15     HC      H   0.060
477H17     53.977001190   46.113998413   37.539001465 R15  15     HC      H   0.060
478C9      54.376998901   48.074001312   38.320999146 R15  15     CT      C  -0.120
479H18     53.640998840   48.000999451   39.094001770 R15  15     HC      H   0.060
480H19     54.409999847   49.077999115   37.952999115 R15  15     HC      H   0.060
481C10     55.756999969   47.689998627   38.888000488 R15  15     CT      C  -0.180
482H20     56.493000031   47.763000488   38.115001678 R15  15     HC      H   0.060
483H21     55.722999573   46.686000824   39.256000519 R15  15     HC      H   0.060
484H22     56.011001587   48.354999542   39.687000275 R15  15     HC      H   0.060
485C1      58.506000519   18.975000381   14.218999863 R16  16     CT      C  -0.180
486H1      59.082000732   19.497999191   14.953000069 R16  16     HC      H   0.060
487H2      58.683998108   19.402000427   13.253999710 R16  16     HC      H   0.060
488H3      57.466999054   19.054000854   14.458000183 R16  16     HC      H   0.060
489C2      58.917999268   17.490999222   14.206999779 R16  16     CT      C  -0.120
490H4      58.740001678   17.063999176   15.170999527 R16  16     HC      H   0.060
491H5      58.340999603   16.965999603   13.472999573 R16  16     HC      H   0.060
492C3      60.414001465   17.375999451   13.862000465 R16  16     CT      C  -0.120
493H6      60.991001129   17.899999619   14.595999718 R16  16     HC      H   0.060
494H7      60.590999603   17.802999496   12.895999908 R16  16     HC      H   0.060
495C4      60.826000214   15.892000198   13.848999977 R16  16     CT      C  -0.120
496H8      60.250000000   15.368000031   13.114999771 R16  16     HC      H   0.060
497H9      60.648998260   15.465000153   14.814000130 R16  16     HC      H   0.060
498C5      62.323001862   15.777999878   13.503999710 R16  16     CT      C  -0.120
499H10     62.898998260   16.301000595   14.237999916 R16  16     HC      H   0.060
500H11     62.500000000   16.204999924   12.538999557 R16  16     HC      H   0.060
501C6      62.734001160   14.293999672   13.491999626 R16  16     CT      C  -0.120
502H12     62.159000397   13.769000053   12.758000374 R16  16     HC      H   0.060
503H13     62.556999207   13.866999626   14.456999779 R16  16     HC      H   0.060
504C7      64.231002808   14.178999901   13.147000313 R16  16     CT      C  -0.120
505H14     64.806999207   14.703000069   13.880999565 R16  16     HC      H   0.060
506H15     64.407997131   14.607000351   12.182999611 R16  16     HC      H   0.060
507C8      64.642997742   12.694999695   13.135000229 R16  16     CT      C  -0.120
508H16     64.066001892   12.170999527   12.402000427 R16  16     HC      H   0.060
509H17     64.464996338   12.267999649   14.100000381 R16  16     HC      H   0.060
510C9      66.138999939   12.581000328   12.789999962 R16  16     CT      C  -0.120
511H18     66.716003418   13.104000092   13.524000168 R16  16     HC      H   0.060
512H19     66.316001892   13.008000374   11.824999809 R16  16     HC      H   0.060
513C10     66.551002502   11.097000122   12.777000427 R16  16     CT      C  -0.180
514H20     65.974998474   10.571999550   12.043999672 R16  16     HC      H   0.060
515H21     66.374000549   10.670000076   13.743000031 R16  16     HC      H   0.060
516H22     67.591003418   11.017000198   12.538000107 R16  16     HC      H   0.060
517C1      35.495998383   25.128000259   38.900001526 R17  17     CT      C  -0.180
518H1      35.126998901   24.774000168   39.839000702 R17  17     HC      H   0.060
519H2      34.724998474   25.055999756   38.161998749 R17  17     HC      H   0.060
520H3      36.333000183   24.533000946   38.598999023 R17  17     HC      H   0.060
521C2      35.936000824   26.597000122   39.041999817 R17  17     CT      C  -0.120
522H4      36.708000183   26.669000626   39.778999329 R17  17     HC      H   0.060
523H5      36.306999207   26.951000214   38.102001190 R17  17     HC      H   0.060
524C3      34.731998444   27.452999115   39.473999023 R17  17     CT      C  -0.120
525H6      34.361000061   27.100000381   40.412998199 R17  17     HC      H   0.060
526H7      33.959999084   27.381999969   38.735000610 R17  17     HC      H   0.060
527C4      35.171001434   28.923000336   39.615001678 R17  17     CT      C  -0.120
528H8      35.541999817   29.277000427   38.675998688 R17  17     HC      H   0.060
529H9      35.942001343   28.995000839   40.353000641 R17  17     HC      H   0.060
530C5      33.965999603   29.780000687   40.047000885 R17  17     CT      C  -0.120
531H10     33.596000671   29.426000595   40.986000061 R17  17     HC      H   0.060
532H11     33.194000244   29.708000183   39.310001373 R17  17     HC      H   0.060
533C6      34.405998230   31.249000549   40.188999176 R17  17     CT      C  -0.120
534H12     34.776000977   31.603000641   39.250000000 R17  17     HC      H   0.060
535H13     35.176998138   31.319999695   40.926998138 R17  17     HC      H   0.060
536C7      33.201000214   32.104999542   40.620998383 R17  17     CT      C  -0.120
537H14     32.831001282   31.752000809   41.560001373 R17  17     HC      H   0.060
538H15     32.430000305   32.033000946   39.883998871 R17  17     HC      H   0.060
539C8      33.640998840   33.575000763   40.763000488 R17  17     CT      C  -0.120
540H16     34.012001038   33.929000854   39.824001312 R17  17     HC      H   0.060
541H17     34.411998749   33.645999908   41.500999451 R17  17     HC      H   0.060
542C9      32.436000824   34.430999756   41.194999695 R17  17     CT      C  -0.120
543H18     32.064998627   34.077999115   42.134998322 R17  17     HC      H   0.060
544H19     31.663999557   34.360000610   40.457000732 R17  17     HC      H   0.060
545C10     32.875000000   35.901000977   41.337001801 R17  17     CT      C  -0.180
546H20     33.245998383   36.255001068   40.396999359 R17  17     HC      H   0.060
547H21     33.646999359   35.972000122   42.075000763 R17  17     HC      H   0.060
548H22     32.037998199   36.495998383   41.637001038 R17  17     HC      H   0.060
549C1      18.290000916   20.462999344   36.216999054 R18  18     CT      C  -0.180
550H1      18.412000656   19.607999802   36.847999573 R18  18     HC      H   0.060
551H2      17.256000519   20.583000183   35.974998474 R18  18     HC      H   0.060
552H3      18.854000092   20.325000763   35.318000793 R18  18     HC      H   0.060
553C2      18.795999527   21.718999863   36.951999664 R18  18     CT      C  -0.120
554H4      19.829999924   21.597999573   37.194000244 R18  18     HC      H   0.060
555H5      18.674999237   22.573999405   36.319999695 R18  18     HC      H   0.060
556C3      17.983999252   21.916999817   38.244998932 R18  18     CT      C  -0.120
557H6      18.106000900   21.062000275   38.876998901 R18  18     HC      H   0.060
558H7      16.948999405   22.038000107   38.001998901 R18  18     HC      H   0.060
559C4      18.489000320   23.173999786   38.979999542 R18  18     CT      C  -0.120
560H8      18.368000031   24.028999329   38.347999573 R18  18     HC      H   0.060
561H9      19.524000168   23.052000046   39.222999573 R18  18     HC      H   0.060
562C5      17.677000046   23.371999741   40.273998260 R18  18     CT      C  -0.120
563H10     17.798000336   22.517000198   40.905998230 R18  18     HC      H   0.060
564H11     16.642000198   23.493000031   40.030998230 R18  18     HC      H   0.060
565C6      18.181999207   24.628000259   41.007999420 R18  18     CT      C  -0.120
566H12     18.061000824   25.483999252   40.376998901 R18  18     HC      H   0.060
567H13     19.216999054   24.506999969   41.250999451 R18  18     HC      H   0.060
568C7      17.371000290   24.826000214   42.301998138 R18  18     CT      C  -0.120
569H14     17.492000580   23.972000122   42.933998108 R18  18     HC      H   0.060
570H15     16.336000443   24.947000504   42.058998108 R18  18     HC      H   0.060
571C8      17.875999451   26.082000732   43.036998749 R18  18     CT      C  -0.120
572H16     17.754999161   26.937999725   42.404998779 R18  18     HC      H   0.060
573H17     18.910999298   25.961999893   43.279998779 R18  18     HC      H   0.060
574C9      17.065000534   26.281000137   44.331001282 R18  18     CT      C  -0.120
575H18     17.186000824   25.426000595   44.963001251 R18  18     HC      H   0.060
576H19     16.028999329   26.402000427   44.088001251 R18  18     HC      H   0.060
577C10     17.569000244   27.538000107   45.064998627 R18  18     CT      C  -0.180
578H20     17.447999954   28.392999649   44.433998108 R18  18     HC      H   0.060
579H21     18.604000092   27.416000366   45.308998108 R18  18     HC      H   0.060
580H22     17.004999161   27.674999237   45.964000702 R18  18     HC      H   0.060
581C1      26.207000732   12.336999893   71.440002441 R19  19     CT      C  -0.180
582H1      26.041999817   13.352999687   71.148002625 R19  19     HC      H   0.060
583H2      25.445999146   12.034000397   72.126998901 R19  19     HC      H   0.060
584H3      27.165000916   12.251999855   71.907997131 R19  19     HC      H   0.060
585C2      26.163000107   11.432000160   70.194000244 R19  19     CT      C  -0.120
586H4      26.923999786   11.734000206   69.505996704 R19  19     HC      H   0.060
587H5      26.329000473   10.416000366   70.486000061 R19  19     HC      H   0.060
588C3      24.784000397   11.553999901   69.519996643 R19  19     CT      C  -0.120
589H6      24.618000031   12.569000244   69.227996826 R19  19     HC      H   0.060
590H7      24.021999359   11.250000000   70.208999634 R19  19     HC      H   0.060
591C4      24.739000320   10.647999763   68.275001526 R19  19     CT      C  -0.120
592H8      24.905000687    9.631999969   68.567001343 R19  19     HC      H   0.060
593H9      25.500000000   10.951000214   67.586997986 R19  19     HC      H   0.060
594C5      23.358999252   10.770000458   67.600997925 R19  19     CT      C  -0.120
595H10     23.193000793   11.784999847   67.308998108 R19  19     HC      H   0.060
596H11     22.597999573   10.467000008   68.289001465 R19  19     HC      H   0.060
597C6      23.315999985    9.864999771   66.356002808 R19  19     CT      C  -0.120
598H12     23.481000900    8.847999573   66.647003174 R19  19     HC      H   0.060
599H13     24.076999664   10.166999817   65.667999268 R19  19     HC      H   0.060
600C7      21.936000824    9.986000061   65.681999207 R19  19     CT      C  -0.120
601H14     21.770000458   11.001999855   65.389999390 R19  19     HC      H   0.060
602H15     21.174999237    9.684000015   66.370002747 R19  19     HC      H   0.060
603C8      21.892000198    9.081000328   64.435997009 R19  19     CT      C  -0.120
604H16     22.058000565    8.064999580   64.727996826 R19  19     HC      H   0.060
605H17     22.652999878    9.383999825   63.749000549 R19  19     HC      H   0.060
606C9      20.511999130    9.203000069   63.763000488 R19  19     CT      C  -0.120
607H18     20.346000671   10.218999863   63.471000671 R19  19     HC      H   0.060
608H19     19.750999451    8.899999619   64.450996399 R19  19     HC      H   0.060
609C10     20.466999054    8.296999931   62.516998291 R19  19     CT      C  -0.180
610H20     20.634000778    7.281000137   62.808998108 R19  19     HC      H   0.060
611H21     21.229000092    8.600999832   61.828998566 R19  19     HC      H   0.060
612H22     19.509000778    8.381999969   62.048999786 R19  19     HC      H   0.060
613C1      77.057998657   61.977001190   18.500999451 R20  20     CT      C  -0.180
614H1      77.374000549   60.978000641   18.287000656 R20  20     HC      H   0.060
615H2      77.679000854   62.668998718   17.971000671 R20  20     HC      H   0.060
616H3      77.138999939   62.159000397   19.552000046 R20  20     HC      H   0.060
617C2      75.594001770   62.159000397   18.059999466 R20  20     CT      C  -0.120
618H4      74.972999573   61.466999054   18.590000153 R20  20     HC      H   0.060
619H5      75.277999878   63.158000946   18.274999619 R20  20     HC      H   0.060
620C3      75.477996826   61.896999359   16.547000885 R20  20     CT      C  -0.120
621H6      75.793998718   60.897998810   16.332000732 R20  20     HC      H   0.060
622H7      76.098999023   62.590000153   16.017000198 R20  20     HC      H   0.060
623C4      74.013999939   62.080001831   16.104999542 R20  20     CT      C  -0.120
624H8      73.697998047   63.078998566   16.319000244 R20  20     HC      H   0.060
625H9      73.392997742   61.387001038   16.635000229 R20  20     HC      H   0.060
626C5      73.898002625   61.818000793   14.590999603 R20  20     CT      C  -0.120
627H10     74.213996887   60.819000244   14.376999855 R20  20     HC      H   0.060
628H11     74.518997192   62.509998322   14.060999870 R20  20     HC      H   0.060
629C6      72.433998108   62.000000000   14.149999619 R20  20     CT      C  -0.120
630H12     72.117996216   62.999000549   14.364000320 R20  20     HC      H   0.060
631H13     71.813003540   61.307998657   14.680000305 R20  20     HC      H   0.060
632C7      72.318000793   61.737998962   12.637000084 R20  20     CT      C  -0.120
633H14     72.634002686   60.738998413   12.421999931 R20  20     HC      H   0.060
634H15     72.939002991   62.430000305   12.107000351 R20  20     HC      H   0.060
635C8      70.853996277   61.919998169   12.194999695 R20  20     CT      C  -0.120
636H16     70.537002563   62.918998718   12.409999847 R20  20     HC      H   0.060
637H17     70.233001709   61.228000641   12.725000381 R20  20     HC      H   0.060
638C9      70.737998962   61.659000397   10.682000160 R20  20     CT      C  -0.120
639H18     71.053001404   60.659000397   10.467000008 R20  20     HC      H   0.060
640H19     71.359001160   62.351001740   10.152000427 R20  20     HC      H   0.060
641C10     69.274002075   61.840999603   10.239999771 R20  20     CT      C  -0.180
642H20     68.957000732   62.840000153   10.454999924 R20  20     HC      H   0.060
643H21     68.652999878   61.147998810   10.770000458 R20  20     HC      H   0.060
644H22     69.193000793   61.659000397    9.187999725 R20  20     HC      H   0.060
645C1      62.293998718   50.951999664   18.778999329 R21  21     CT      C  -0.180
646H1      62.948001862   51.629001617   19.285999298 R21  21     HC      H   0.060
647H2      62.224998474   51.226001740   17.747999191 R21  21     HC      H   0.060
648H3      61.321998596   50.993999481   19.225000381 R21  21     HC      H   0.060
649C2      62.847999573   49.520000458   18.895000458 R21  21     CT      C  -0.120
650H4      62.916999817   49.245998383   19.926000595 R21  21     HC      H   0.060
651H5      62.194000244   48.840999603   18.388999939 R21  21     HC      H   0.060
652C3      64.247001648   49.458999634   18.253000259 R21  21     CT      C  -0.120
653H6      64.902000427   50.136001587   18.760000229 R21  21     HC      H   0.060
654H7      64.178001404   49.731998444   17.221000671 R21  21     HC      H   0.060
655C4      64.802001953   48.026000977   18.368000031 R21  21     CT      C  -0.120
656H8      64.148002625   47.347999573   17.861000061 R21  21     HC      H   0.060
657H9      64.871002197   47.751998901   19.399999619 R21  21     HC      H   0.060
658C5      66.200996399   47.965000153   17.725999832 R21  21     CT      C  -0.120
659H10     66.856002808   48.643001556   18.232000351 R21  21     HC      H   0.060
660H11     66.133003235   48.238998413   16.694000244 R21  21     HC      H   0.060
661C6      66.755996704   46.533000946   17.841999054 R21  21     CT      C  -0.120
662H12     66.101997375   45.854999542   17.334999084 R21  21     HC      H   0.060
663H13     66.823997498   46.258998871   18.872999191 R21  21     HC      H   0.060
664C7      68.153999329   46.472000122   17.200000763 R21  21     CT      C  -0.120
665H14     68.808998108   47.148998260   17.707000732 R21  21     HC      H   0.060
666H15     68.085998535   46.745998383   16.167999268 R21  21     HC      H   0.060
667C8      68.709999084   45.040000916   17.315000534 R21  21     CT      C  -0.120
668H16     68.055000305   44.361000061   16.809000015 R21  21     HC      H   0.060
669H17     68.777999878   44.765998840   18.347000122 R21  21     HC      H   0.060
670C9      70.109001160   44.979000092   16.673999786 R21  21     CT      C  -0.120
671H18     70.763999939   45.655998230   17.180000305 R21  21     HC      H   0.060
672H19     70.040000916   45.251998901   15.640999794 R21  21     HC      H   0.060
673C10     70.664001465   43.546001434   16.788000107 R21  21     CT      C  -0.180
674H20     70.009002686   42.868000031   16.281999588 R21  21     HC      H   0.060
675H21     70.733001709   43.272998810   17.819999695 R21  21     HC      H   0.060
676H22     71.636001587   43.504001617   16.341999054 R21  21     HC      H   0.060
677C1      29.871999741    4.197999954   39.465000153 R22  22     CT      C  -0.180
678H1      30.198999405    4.047999859   40.472000122 R22  22     HC      H   0.060
679H2      28.843999863    3.917000055   39.376998901 R22  22     HC      H   0.060
680H3      30.464000702    3.598000050   38.805999756 R22  22     HC      H   0.060
681C2      30.033000946    5.683000088   39.089000702 R22  22     CT      C  -0.120
682H4      31.061000824    5.964000225   39.175998688 R22  22     HC      H   0.060
683H5      29.707000732    5.833000183   38.080001831 R22  22     HC      H   0.060
684C3      29.181999207    6.546999931   40.037998199 R22  22     CT      C  -0.120
685H6      29.507999420    6.397999763   41.044998169 R22  22     HC      H   0.060
686H7      28.152000427    6.265999794   39.949001312 R22  22     HC      H   0.060
687C4      29.340999603    8.031999588   39.660999298 R22  22     CT      C  -0.120
688H8      29.014999390    8.182000160   38.652999878 R22  22     HC      H   0.060
689H9      30.370000839    8.312999725   39.750000000 R22  22     HC      H   0.060
690C5      28.489000320    8.895999908   40.610000610 R22  22     CT      C  -0.120
691H10     28.815999985    8.746999741   41.618000031 R22  22     HC      H   0.060
692H11     27.461000443    8.614999771   40.521999359 R22  22     HC      H   0.060
693C6      28.649999619   10.380999565   40.234001160 R22  22     CT      C  -0.120
694H12     28.323999405   10.531999588   39.226001740 R22  22     HC      H   0.060
695H13     29.677999496   10.661999702   40.320999146 R22  22     HC      H   0.060
696C7      27.798999786   11.244999886   41.181999207 R22  22     CT      C  -0.120
697H14     28.125000000   11.095999718   42.189998627 R22  22     HC      H   0.060
698H15     26.770000458   10.963999748   41.095001221 R22  22     HC      H   0.060
699C8      27.958999634   12.729999542   40.806999207 R22  22     CT      C  -0.120
700H16     27.632999420   12.880000114   39.798000336 R22  22     HC      H   0.060
701H17     28.986999512   13.010999680   40.894001007 R22  22     HC      H   0.060
702C9      27.107000351   13.593999863   41.756000519 R22  22     CT      C  -0.120
703H18     27.434000015   13.444999695   42.763000488 R22  22     HC      H   0.060
704H19     26.077999115   13.312999725   41.666999817 R22  22     HC      H   0.060
705C10     27.267000198   15.079999924   41.379001617 R22  22     CT      C  -0.180
706H20     26.940999985   15.229999542   40.370998383 R22  22     HC      H   0.060
707H21     28.295999527   15.361000061   41.467998505 R22  22     HC      H   0.060
708H22     26.674999237   15.680000305   42.039001465 R22  22     HC      H   0.060
709C1      24.801000595   49.486999512   50.818000793 R23  23     CT      C  -0.180
710H1      23.951999664   50.083999634   50.558998108 R23  23     HC      H   0.060
711H2      24.725000381   49.180999756   51.840000153 R23  23     HC      H   0.060
712H3      25.694000244   50.062000275   50.683998108 R23  23     HC      H   0.060
713C2      24.850999832   48.243000031   49.911998749 R23  23     CT      C  -0.120
714H4      24.927999496   48.549999237   48.889999390 R23  23     HC      H   0.060
715H5      25.701999664   47.646999359   50.169998169 R23  23     HC      H   0.060
716C3      23.565999985   47.416999817   50.104999542 R23  23     CT      C  -0.120
717H6      22.715999603   48.012001038   49.846000671 R23  23     HC      H   0.060
718H7      23.489999771   47.110000610   51.127998352 R23  23     HC      H   0.060
719C4      23.615999222   46.172000885   49.200000763 R23  23     CT      C  -0.120
720H8      24.465999603   45.575000763   49.458000183 R23  23     HC      H   0.060
721H9      23.691999435   46.478000641   48.176998138 R23  23     HC      H   0.060
722C5      22.330999374   45.345001221   49.393001556 R23  23     CT      C  -0.120
723H10     21.481000900   45.939998627   49.133998871 R23  23     HC      H   0.060
724H11     22.253999710   45.039001465   50.415000916 R23  23     HC      H   0.060
725C6      22.381000519   44.101001740   48.486999512 R23  23     CT      C  -0.120
726H12     23.229999542   43.504001617   48.744998932 R23  23     HC      H   0.060
727H13     22.457000732   44.407001495   47.465000153 R23  23     HC      H   0.060
728C7      21.096000671   43.273998260   48.680000305 R23  23     CT      C  -0.120
729H14     20.246000290   43.869998932   48.421001434 R23  23     HC      H   0.060
730H15     21.018999100   42.967998505   49.701999664 R23  23     HC      H   0.060
731C8      21.145000458   42.028999329   47.773998260 R23  23     CT      C  -0.120
732H16     21.995000839   41.432998657   48.032001495 R23  23     HC      H   0.060
733H17     21.222000122   42.334999084   46.751998901 R23  23     HC      H   0.060
734C9      19.860000610   41.202999115   47.966999054 R23  23     CT      C  -0.120
735H18     19.010000229   41.798000336   47.708999634 R23  23     HC      H   0.060
736H19     19.784000397   40.895999908   48.990001678 R23  23     HC      H   0.060
737C10     19.909999847   39.958000183   47.062000275 R23  23     CT      C  -0.180
738H20     20.760000229   39.361000061   47.319999695 R23  23     HC      H   0.060
739H21     19.986000061   40.263999939   46.039001465 R23  23     HC      H   0.060
740H22     19.017000198   39.382999420   47.195999146 R23  23     HC      H   0.060
741C1      14.206000328   25.896999359   58.310001373 R24  24     CT      C  -0.180
742H1      14.444000244   26.542999268   57.491001129 R24  24     HC      H   0.060
743H2      15.043999672   25.267000198   58.522998810 R24  24     HC      H   0.060
744H3      13.362000465   25.291999817   58.053001404 R24  24     HC      H   0.060
745C2      13.871000290   26.745000839   59.550998688 R24  24     CT      C  -0.120
746H4      13.032999992   27.374000549   59.337001801 R24  24     HC      H   0.060
747H5      13.631999969   26.099000931   60.369998932 R24  24     HC      H   0.060
748C3      15.086000443   27.614999771   59.921001434 R24  24     CT      C  -0.120
749H6      15.324999809   28.260999680   59.102001190 R24  24     HC      H   0.060
750H7      15.923999786   26.985000610   60.134998322 R24  24     HC      H   0.060
751C4      14.751999855   28.461999893   61.162998199 R24  24     CT      C  -0.120
752H8      14.512999535   27.816999435   61.981998444 R24  24     HC      H   0.060
753H9      13.913999557   29.093000412   60.949001312 R24  24     HC      H   0.060
754C5      15.967000008   29.333000183   61.533000946 R24  24     CT      C  -0.120
755H10     16.205999374   29.979000092   60.714000702 R24  24     HC      H   0.060
756H11     16.805000305   28.702999115   61.745998383 R24  24     HC      H   0.060
757C6      15.631999969   30.180000305   62.773998260 R24  24     CT      C  -0.120
758H12     15.394000053   29.534999847   63.594001770 R24  24     HC      H   0.060
759H13     14.793999672   30.809999466   62.561000824 R24  24     HC      H   0.060
760C7      16.847000122   31.051000595   63.144001007 R24  24     CT      C  -0.120
761H14     17.086000443   31.697000504   62.326000214 R24  24     HC      H   0.060
762H15     17.684999466   30.420999527   63.358001709 R24  24     HC      H   0.060
763C8      16.513000488   31.899000168   64.386001587 R24  24     CT      C  -0.120
764H16     16.274000168   31.253000259   65.205001831 R24  24     HC      H   0.060
765H17     15.675000191   32.527999878   64.171997070 R24  24     HC      H   0.060
766C9      17.728000641   32.769001007   64.755996704 R24  24     CT      C  -0.120
767H18     17.966999054   33.415000916   63.937000275 R24  24     HC      H   0.060
768H19     18.565999985   32.138999939   64.970001221 R24  24     HC      H   0.060
769C10     17.393999100   33.616001129   65.998001099 R24  24     CT      C  -0.180
770H20     17.155000687   32.971000671   66.817001343 R24  24     HC      H   0.060
771H21     16.555999756   34.247001648   65.783996582 R24  24     HC      H   0.060
772H22     18.238000870   34.221000671   66.254997253 R24  24     HC      H   0.060
773C1      17.593000412   59.095001221   17.127000809 R25  25     CT      C  -0.180
774H1      18.533000946   58.743999481   17.495000839 R25  25     HC      H   0.060
775H2      17.732000351   59.554000854   16.170999527 R25  25     HC      H   0.060
776H3      17.187999725   59.812000275   17.809999466 R25  25     HC      H   0.060
777C2      16.618999481   57.909999847   16.990999222 R25  25     CT      C  -0.120
778H4      16.479999542   57.451000214   17.947000504 R25  25     HC      H   0.060
779H5      15.678000450   58.261001587   16.622999191 R25  25     HC      H   0.060
780C3      17.201999664   56.877998352   16.006999969 R25  25     CT      C  -0.120
781H6      18.142999649   56.526000977   16.375000000 R25  25     HC      H   0.060
782H7      17.340999603   57.337001801   15.050000191 R25  25     HC      H   0.060
783C4      16.228000641   55.693000793   15.869999886 R25  25     CT      C  -0.120
784H8      15.286000252   56.043998718   15.501999855 R25  25     HC      H   0.060
785H9      16.089000702   55.234001160   16.826999664 R25  25     HC      H   0.060
786C5      16.811000824   54.660999298   14.885000229 R25  25     CT      C  -0.120
787H10     17.750999451   54.308998108   15.253000259 R25  25     HC      H   0.060
788H11     16.950000763   55.119998932   13.928999901 R25  25     HC      H   0.060
789C6      15.836999893   53.476001740   14.750000000 R25  25     CT      C  -0.120
790H12     14.895999908   53.826999664   14.380999565 R25  25     HC      H   0.060
791H13     15.696999550   53.016998291   15.706000328 R25  25     HC      H   0.060
792C7      16.419000626   52.444000244   13.765000343 R25  25     CT      C  -0.120
793H14     17.360000610   52.091999054   14.133000374 R25  25     HC      H   0.060
794H15     16.559000015   52.902999878   12.809000015 R25  25     HC      H   0.060
795C8      15.446000099   51.257999420   13.628999710 R25  25     CT      C  -0.120
796H16     14.503999710   51.610000610   13.260999680 R25  25     HC      H   0.060
797H17     15.305999756   50.799999237   14.585000038 R25  25     HC      H   0.060
798C9      16.028999329   50.227001190   12.645000458 R25  25     CT      C  -0.120
799H18     16.968999863   49.875000000   13.012999535 R25  25     HC      H   0.060
800H19     16.167999268   50.686000824   11.687999725 R25  25     HC      H   0.060
801C10     15.055000305   49.041000366   12.508000374 R25  25     CT      C  -0.180
802H20     14.112999916   49.393001556   12.140000343 R25  25     HC      H   0.060
803H21     14.916000366   48.582000732   13.465000153 R25  25     HC      H   0.060
804H22     15.460000038   48.325000763   11.824000359 R25  25     HC      H   0.060
805C1      63.777000427   12.418999672   37.283000946 R26  26     CT      C  -0.180
806H1      64.347999573   13.041000366   36.625999451 R26  26     HC      H   0.060
807H2      63.953998566   12.711999893   38.296001434 R26  26     HC      H   0.060
808H3      64.069999695   11.397999763   37.151000977 R26  26     HC      H   0.060
809C2      62.278999329   12.567999840   36.958000183 R26  26     CT      C  -0.120
810H4      62.103000641   12.274999619   35.944999695 R26  26     HC      H   0.060
811H5      61.708000183   11.944999695   37.613998413 R26  26     HC      H   0.060
812C3      61.858001709   14.036999702   37.147998810 R26  26     CT      C  -0.120
813H6      62.429000854   14.659999847   36.492000580 R26  26     HC      H   0.060
814H7      62.034999847   14.331000328   38.162998199 R26  26     HC      H   0.060
815C4      60.360000610   14.187999725   36.825000763 R26  26     CT      C  -0.120
816H8      59.787998199   13.564999580   37.480998993 R26  26     HC      H   0.060
817H9      60.182998657   13.894000053   35.811000824 R26  26     HC      H   0.060
818C5      59.937999725   15.656999588   37.014999390 R26  26     CT      C  -0.120
819H10     60.508998871   16.278999329   36.359001160 R26  26     HC      H   0.060
820H11     60.115001678   15.949999809   38.027999878 R26  26     HC      H   0.060
821C6      58.439998627   15.805999756   36.691001892 R26  26     CT      C  -0.120
822H12     57.868000031   15.184000015   37.347000122 R26  26     HC      H   0.060
823H13     58.263000488   15.512999535   35.676998138 R26  26     HC      H   0.060
824C7      58.019001007   17.274999619   36.881000519 R26  26     CT      C  -0.120
825H14     58.589000702   17.898000717   36.223999023 R26  26     HC      H   0.060
826H15     58.195999146   17.569000244   37.894001007 R26  26     HC      H   0.060
827C8      56.520999908   17.426000595   36.556999207 R26  26     CT      C  -0.120
828H16     55.949001312   16.802999496   37.213001251 R26  26     HC      H   0.060
829H17     56.344001770   17.131999969   35.542999268 R26  26     HC      H   0.060
830C9      56.098999023   18.895000458   36.747001648 R26  26     CT      C  -0.120
831H18     56.669998169   19.517999649   36.090000153 R26  26     HC      H   0.060
832H19     56.276000977   19.187999725   37.761001587 R26  26     HC      H   0.060
833C10     54.601001740   19.045000076   36.423999786 R26  26     CT      C  -0.180
834H20     54.028999329   18.422000885   37.080001831 R26  26     HC      H   0.060
835H21     54.423999786   18.752000809   35.409000397 R26  26     HC      H   0.060
836H22     54.307998657   20.065999985   36.555999756 R26  26     HC      H   0.060
837C1      22.041000366   12.133999825   10.916999817 R27  27     CT      C  -0.180
838H1      22.679000854   11.914999962   10.086999893 R27  27     HC      H   0.060
839H2      22.465000153   11.727999687   11.810999870 R27  27     HC      H   0.060
840H3      21.076999664   11.699000359   10.750000000 R27  27     HC      H   0.060
841C2      21.895000458   13.659999847   11.064999580 R27  27     CT      C  -0.120
842H4      21.469999313   14.065999985   10.170999527 R27  27     HC      H   0.060
843H5      21.256000519   13.878999710   11.895000458 R27  27     HC      H   0.060
844C3      23.281000137   14.286000252   11.305000305 R27  27     CT      C  -0.120
845H6      23.920000076   14.067999840   10.475000381 R27  27     HC      H   0.060
846H7      23.705999374   13.880000114   12.199999809 R27  27     HC      H   0.060
847C4      23.135999680   15.812000275   11.454000473 R27  27     CT      C  -0.120
848H8      22.496999741   16.031000137   12.284000397 R27  27     HC      H   0.060
849H9      22.711999893   16.218000412   10.559000015 R27  27     HC      H   0.060
850C5      24.521999359   16.437999725   11.694000244 R27  27     CT      C  -0.120
851H10     25.160999298   16.219999313   10.864000320 R27  27     HC      H   0.060
852H11     24.947000504   16.031999588   12.588000298 R27  27     HC      H   0.060
853C6      24.377000809   17.964000702   11.842000008 R27  27     CT      C  -0.120
854H12     23.738000870   18.184000015   12.671999931 R27  27     HC      H   0.060
855H13     23.951999664   18.370000839   10.947999954 R27  27     HC      H   0.060
856C7      25.763000488   18.590999603   12.081999779 R27  27     CT      C  -0.120
857H14     26.402000427   18.372999191   11.253000259 R27  27     HC      H   0.060
858H15     26.187999725   18.184999466   12.975999832 R27  27     HC      H   0.060
859C8      25.618000031   20.117000580   12.229999542 R27  27     CT      C  -0.120
860H16     24.979000092   20.336000443   13.060000420 R27  27     HC      H   0.060
861H17     25.193000793   20.523000717   11.336000443 R27  27     HC      H   0.060
862C9      27.003999710   20.743000031   12.470999718 R27  27     CT      C  -0.120
863H18     27.642999649   20.524999619   11.640999794 R27  27     HC      H   0.060
864H19     27.429000854   20.336999893   13.364999771 R27  27     HC      H   0.060
865C10     26.858999252   22.270000458   12.619000435 R27  27     CT      C  -0.180
866H20     26.219999313   22.489000320   13.449000359 R27  27     HC      H   0.060
867H21     26.434999466   22.676000595   11.725000381 R27  27     HC      H   0.060
868H22     27.822999954   22.704999924   12.786000252 R27  27     HC      H   0.060
869C1      27.076000214   37.158000946   60.923999786 R28  28     CT      C  -0.180
870H1      27.285999298   36.229000092   61.410999298 R28  28     HC      H   0.060
871H2      26.391000748   37.726001740   61.516998291 R28  28     HC      H   0.060
872H3      26.642999649   36.965999603   59.964000702 R28  28     HC      H   0.060
873C2      28.384000778   37.951999664   60.745998383 R28  28     CT      C  -0.120
874H4      29.068000793   37.383998871   60.152000427 R28  28     HC      H   0.060
875H5      28.173999786   38.881000519   60.256999969 R28  28     HC      H   0.060
876C3      29.006999969   38.227001190   62.126998901 R28  28     CT      C  -0.120
877H6      29.218000412   37.298999786   62.615001678 R28  28     HC      H   0.060
878H7      28.322000504   38.796001434   62.721000671 R28  28     HC      H   0.060
879C4      30.315000534   39.021999359   61.950000763 R28  28     CT      C  -0.120
880H8      30.104999542   39.951000214   61.462001801 R28  28     HC      H   0.060
881H9      31.000000000   38.452999115   61.355998993 R28  28     HC      H   0.060
882C5      30.938999176   39.298000336   63.331001282 R28  28     CT      C  -0.120
883H10     31.149000168   38.369998932   63.819000244 R28  28     HC      H   0.060
884H11     30.253999710   39.866001129   63.924999237 R28  28     HC      H   0.060
885C6      32.245998383   40.091999054   63.153999329 R28  28     CT      C  -0.120
886H12     32.036998749   41.020999908   62.666000366 R28  28     HC      H   0.060
887H13     32.930999756   39.523998260   62.560001373 R28  28     HC      H   0.060
888C7      32.869998932   40.368000031   64.533996582 R28  28     CT      C  -0.120
889H14     33.080001831   39.438999176   65.022003174 R28  28     HC      H   0.060
890H15     32.185001373   40.936000824   65.127998352 R28  28     HC      H   0.060
891C8      34.178001404   41.161998749   64.358001709 R28  28     CT      C  -0.120
892H16     33.967998505   42.090999603   63.868999481 R28  28     HC      H   0.060
893H17     34.862998962   40.594001770   63.763999939 R28  28     HC      H   0.060
894C9      34.801998138   41.437000275   65.738998413 R28  28     CT      C  -0.120
895H18     35.012001038   40.508998871   66.226997375 R28  28     HC      H   0.060
896H19     34.116001129   42.006000519   66.332000732 R28  28     HC      H   0.060
897C10     36.109001160   42.231998444   65.561996460 R28  28     CT      C  -0.180
898H20     35.898998260   43.160999298   65.072998047 R28  28     HC      H   0.060
899H21     36.793998718   41.662998199   64.968002319 R28  28     HC      H   0.060
900H22     36.541999817   42.423999786   66.521003723 R28  28     HC      H   0.060
901C1       9.439999580   32.453998566    8.085000038 R29  29     CT      C  -0.180
902H1       8.524999619   32.842998505    7.690000057 R29  29     HC      H   0.060
903H2      10.248999596   32.716999054    7.436999798 R29  29     HC      H   0.060
904H3       9.371999741   31.388999939    8.157999992 R29  29     HC      H   0.060
905C2       9.689000130   33.048000336    9.484000206 R29  29     CT      C  -0.120
906H4       8.880000114   32.785999298   10.131999969 R29  29     HC      H   0.060
907H5      10.604000092   32.659000397    9.880000114 R29  29     HC      H   0.060
908C3       9.786000252   34.582000732    9.378999710 R29  29     CT      C  -0.120
909H6       8.871000290   34.971000671    8.984999657 R29  29     HC      H   0.060
910H7      10.595999718   34.845001221    8.730999947 R29  29     HC      H   0.060
911C4      10.036000252   35.176998138   10.777999878 R29  29     CT      C  -0.120
912H8      10.951000214   34.786998749   11.173999786 R29  29     HC      H   0.060
913H9       9.225999832   34.914001465   11.427000046 R29  29     HC      H   0.060
914C5      10.133999825   36.709999084   10.673999786 R29  29     CT      C  -0.120
915H10      9.218999863   37.099998474   10.279000282 R29  29     HC      H   0.060
916H11     10.942999840   36.972999573   10.024999619 R29  29     HC      H   0.060
917C6      10.381999969   37.304000854   12.072999954 R29  29     CT      C  -0.120
918H12     11.296999931   36.916000366   12.468000412 R29  29     HC      H   0.060
919H13      9.572999954   37.041999817   12.720999718 R29  29     HC      H   0.060
920C7      10.479999542   38.838001251   11.968000412 R29  29     CT      C  -0.120
921H14      9.564999580   39.227001190   11.574000359 R29  29     HC      H   0.060
922H15     11.288999557   39.099998474   11.319999695 R29  29     HC      H   0.060
923C8      10.729000092   39.432998657   13.366999626 R29  29     CT      C  -0.120
924H16     11.644000053   39.042999268   13.762999535 R29  29     HC      H   0.060
925H17      9.920000076   39.169998169   14.015999794 R29  29     HC      H   0.060
926C9      10.826000214   40.965999603   13.262999535 R29  29     CT      C  -0.120
927H18      9.911000252   41.355998993   12.868000031 R29  29     HC      H   0.060
928H19     11.635999680   41.229000092   12.614000320 R29  29     HC      H   0.060
929C10     11.076000214   41.561000824   14.661999702 R29  29     CT      C  -0.180
930H20     11.991000175   41.172000885   15.057000160 R29  29     HC      H   0.060
931H21     10.265999794   41.298000336   15.310000420 R29  29     HC      H   0.060
932H22     11.144000053   42.626998901   14.588999748 R29  29     HC      H   0.060
933C1      23.738000870   26.489999771   47.094001770 R30  30     CT      C  -0.180
934H1      22.884000778   25.885999680   46.874000549 R30  30     HC      H   0.060
935H2      24.101999283   26.250999451   48.070999146 R30  30     HC      H   0.060
936H3      23.462999344   27.523000717   47.057998657 R30  30     HC      H   0.060
937C2      24.840999603   26.216999054   46.054000854 R30  30     CT      C  -0.120
938H4      24.478000641   26.455999374   45.076999664 R30  30     HC      H   0.060
939H5      25.697000504   26.822000504   46.273998260 R30  30     HC      H   0.060
940C3      25.236999512   24.729999542   46.105998993 R30  30     CT      C  -0.120
941H6      24.382999420   24.125000000   45.884998322 R30  30     HC      H   0.060
942H7      25.601999283   24.490999222   47.083999634 R30  30     HC      H   0.060
943C4      26.340999603   24.455999374   45.067001343 R30  30     CT      C  -0.120
944H8      27.197000504   25.061000824   45.286998749 R30  30     HC      H   0.060
945H9      25.976999283   24.694999695   44.089000702 R30  30     HC      H   0.060
946C5      26.736999512   22.968999863   45.118000031 R30  30     CT      C  -0.120
947H10     25.882999420   22.364000320   44.897998810 R30  30     HC      H   0.060
948H11     27.100999832   22.729999542   46.096000671 R30  30     HC      H   0.060
949C6      27.840000153   22.695999146   44.078998566 R30  30     CT      C  -0.120
950H12     28.695999146   23.299999237   44.298999786 R30  30     HC      H   0.060
951H13     27.476999283   22.934999466   43.102001190 R30  30     HC      H   0.060
952C7      28.236000061   21.208999634   44.130001068 R30  30     CT      C  -0.120
953H14     27.381999969   20.604000092   43.909999847 R30  30     HC      H   0.060
954H15     28.600000381   20.969999313   45.106998444 R30  30     HC      H   0.060
955C8      29.340000153   20.934999466   43.090999603 R30  30     CT      C  -0.120
956H16     30.194999695   21.538999557   43.310001373 R30  30     HC      H   0.060
957H17     28.975999832   21.173999786   42.113998413 R30  30     HC      H   0.060
958C9      29.736000061   19.447000504   43.141998291 R30  30     CT      C  -0.120
959H18     28.881000519   18.843000412   42.922000885 R30  30     HC      H   0.060
960H19     30.100000381   19.208999634   44.119998932 R30  30     HC      H   0.060
961C10     30.840000153   19.173999786   42.103000641 R30  30     CT      C  -0.180
962H20     31.694999695   19.778999329   42.323001862 R30  30     HC      H   0.060
963H21     30.475000381   19.412000656   41.125000000 R30  30     HC      H   0.060
964H22     31.114999771   18.139999390   42.138999939 R30  30     HC      H   0.060
965C1      28.066999435   23.260999680   72.793998718 R31  31     CT      C  -0.180
966H1      27.788000107   22.566999435   73.558998108 R31  31     HC      H   0.060
967H2      28.541999817   22.736999512   71.991996765 R31  31     HC      H   0.060
968H3      28.743999481   23.982999802   73.198997498 R31  31     HC      H   0.060
969C2      26.809000015   23.975999832   72.266998291 R31  31     CT      C  -0.120
970H4      26.333999634   24.500000000   73.069000244 R31  31     HC      H   0.060
971H5      27.087999344   24.672000885   71.502998352 R31  31     HC      H   0.060
972C3      25.833999634   22.936000824   71.683998108 R31  31     CT      C  -0.120
973H6      25.554000854   22.242000580   72.447998047 R31  31     HC      H   0.060
974H7      26.309999466   22.412000656   70.880996704 R31  31     HC      H   0.060
975C4      24.576000214   23.652000427   71.154998779 R31  31     CT      C  -0.120
976H8      24.854999542   24.347000122   70.390998840 R31  31     HC      H   0.060
977H9      24.100999832   24.176000595   71.958000183 R31  31     HC      H   0.060
978C5      23.601999283   22.611999512   70.571998596 R31  31     CT      C  -0.120
979H10     23.322000504   21.916999817   71.335998535 R31  31     HC      H   0.060
980H11     24.076999664   22.087999344   69.769996643 R31  31     HC      H   0.060
981C6      22.343999863   23.326999664   70.044998169 R31  31     CT      C  -0.120
982H12     22.621999741   24.021999359   69.279998779 R31  31     HC      H   0.060
983H13     21.868999481   23.850999832   70.847000122 R31  31     HC      H   0.060
984C7      21.368999481   22.287000656   69.461997986 R31  31     CT      C  -0.120
985H14     21.089000702   21.593000412   70.225997925 R31  31     HC      H   0.060
986H15     21.843999863   21.763000488   68.658996582 R31  31     HC      H   0.060
987C8      20.111000061   23.002000809   68.933998108 R31  31     CT      C  -0.120
988H16     20.389999390   23.697999954   68.169998169 R31  31     HC      H   0.060
989H17     19.635999680   23.527000427   69.736000061 R31  31     HC      H   0.060
990C9      19.135999680   21.962999344   68.350997925 R31  31     CT      C  -0.120
991H18     18.856000900   21.267999649   69.114997864 R31  31     HC      H   0.060
992H19     19.611999512   21.438999176   67.547996521 R31  31     HC      H   0.060
993C10     17.878000259   22.677999496   67.821998596 R31  31     CT      C  -0.180
994H20     18.156999588   23.372999191   67.057998657 R31  31     HC      H   0.060
995H21     17.402999878   23.201999664   68.625000000 R31  31     HC      H   0.060
996H22     17.201000214   21.954999924   67.416999817 R31  31     HC      H   0.060
997C1      72.315002441   57.707000732   41.714000702 R32  32     CT      C  -0.180
998H1      72.468002319   56.962001801   42.466999054 R32  32     HC      H   0.060
999H2      73.140998840   57.703998566   41.034999847 R32  32     HC      H   0.060
1000H3      72.235000610   58.668998718   42.175998688 R32  32     HC      H   0.060
1001C2      71.015998840   57.398998260   40.944999695 R32  32     CT      C  -0.120
1002H4      70.190002441   57.402000427   41.624000549 R32  32     HC      H   0.060
1003H5      70.861999512   58.145000458   40.193000793 R32  32     HC      H   0.060
1004C3      71.129997253   56.014999390   40.279998779 R32  32     CT      C  -0.120
1005H6      71.283996582   55.270000458   41.032001495 R32  32     HC      H   0.060
1006H7      71.957000732   56.013000488   39.599998474 R32  32     HC      H   0.060
1007C4      69.832000732   55.707000732   39.508998871 R32  32     CT      C  -0.120
1008H8      69.678001404   56.452999115   38.756999969 R32  32     HC      H   0.060
1009H9      69.005996704   55.709999084   40.188999176 R32  32     HC      H   0.060
1010C5      69.945999146   54.323001862   38.844001770 R32  32     CT      C  -0.120
1011H10     70.099998474   53.577999115   39.596000671 R32  32     HC      H   0.060
1012H11     70.773002625   54.319999695   38.165000916 R32  32     HC      H   0.060
1013C6      68.648002625   54.015998840   38.075000763 R32  32     CT      C  -0.120
1014H12     68.494003296   54.761001587   37.321998596 R32  32     HC      H   0.060
1015H13     67.821998596   54.018001556   38.754001617 R32  32     HC      H   0.060
1016C7      68.762001038   52.631999969   37.409999847 R32  32     CT      C  -0.120
1017H14     68.915000916   51.886001587   38.160999298 R32  32     HC      H   0.060
1018H15     69.587997437   52.629001617   36.730998993 R32  32     HC      H   0.060
1019C8      67.463996887   52.323001862   36.639999390 R32  32     CT      C  -0.120
1020H16     67.308998108   53.069000244   35.888000488 R32  32     HC      H   0.060
1021H17     66.637001038   52.326000214   37.319000244 R32  32     HC      H   0.060
1022C9      67.578002930   50.938999176   35.974998474 R32  32     CT      C  -0.120
1023H18     67.731002808   50.194000244   36.726001740 R32  32     HC      H   0.060
1024H19     68.403999329   50.937000275   35.294998169 R32  32     HC      H   0.060
1025C10     66.279998779   50.631000519   35.203998566 R32  32     CT      C  -0.180
1026H20     66.125000000   51.376998901   34.451999664 R32  32     HC      H   0.060
1027H21     65.453002930   50.633998871   35.883998871 R32  32     HC      H   0.060
1028H22     66.359001160   49.668998718   34.742000580 R32  32     HC      H   0.060
1029C1      48.071998596   73.905998230   43.000999451 R33  33     CT      C  -0.180
1030H1      48.394001007   73.130996704   43.662998199 R33  33     HC      H   0.060
1031H2      48.900001526   74.241996765   42.412998199 R33  33     HC      H   0.060
1032H3      47.682998657   74.723999023   43.570999146 R33  33     HC      H   0.060
1033C2      46.971000671   73.361999512   42.071998596 R33  33     CT      C  -0.120
1034H4      46.141998291   73.025001526   42.659000397 R33  33     HC      H   0.060
1035H5      46.646999359   74.137001038   41.409000397 R33  33     HC      H   0.060
1036C3      47.528999329   72.184997559   41.250000000 R33  33     CT      C  -0.120
1037H6      47.852001190   71.408996582   41.911998749 R33  33     HC      H   0.060
1038H7      48.358001709   72.521003723   40.661998749 R33  33     HC      H   0.060
1039C4      46.429000854   71.639999390   40.319999695 R33  33     CT      C  -0.120
1040H8      46.104999542   72.415000916   39.657001495 R33  33     HC      H   0.060
1041H9      45.599998474   71.303001404   40.908000946 R33  33     HC      H   0.060
1042C5      46.986999512   70.462997437   39.499000549 R33  33     CT      C  -0.120
1043H10     47.311000824   69.686996460   40.160999298 R33  33     HC      H   0.060
1044H11     47.816001892   70.799003601   38.910999298 R33  33     HC      H   0.060
1045C6      45.887001038   69.917999268   38.569000244 R33  33     CT      C  -0.120
1046H12     45.562999725   70.693000793   37.905998230 R33  33     HC      H   0.060
1047H13     45.057998657   69.582000732   39.157001495 R33  33     HC      H   0.060
1048C7      46.444999695   68.740997314   37.748001099 R33  33     CT      C  -0.120
1049H14     46.768001556   67.966003418   38.409999847 R33  33     HC      H   0.060
1050H15     47.272998810   69.078002930   37.160999298 R33  33     HC      H   0.060
1051C8      45.344001770   68.195999146   36.818000793 R33  33     CT      C  -0.120
1052H16     45.020000458   68.972000122   36.155998230 R33  33     HC      H   0.060
1053H17     44.515998840   67.860000610   37.405998230 R33  33     HC      H   0.060
1054C9      45.902999878   67.018997192   35.997001648 R33  33     CT      C  -0.120
1055H18     46.226001740   66.244003296   36.659000397 R33  33     HC      H   0.060
1056H19     46.731998444   67.356002808   35.409000397 R33  33     HC      H   0.060
1057C10     44.803001404   66.473999023   35.067001343 R33  33     CT      C  -0.180
1058H20     44.479000092   67.250000000   34.403999329 R33  33     HC      H   0.060
1059H21     43.973999023   66.138000488   35.654998779 R33  33     HC      H   0.060
1060H22     45.191001892   65.656997681   34.495998383 R33  33     HC      H   0.060
1061C1      52.928001404   37.943000793   60.481998444 R34  34     CT      C  -0.180
1062H1      52.495998383   37.486999512   59.616001129 R34  34     HC      H   0.060
1063H2      52.286998749   37.790000916   61.324001312 R34  34     HC      H   0.060
1064H3      53.048000336   38.992000580   60.310001373 R34  34     HC      H   0.060
1065C2      54.304000854   37.310001373   60.761001587 R34  34     CT      C  -0.120
1066H4      54.944999695   37.463001251   59.918998718 R34  34     HC      H   0.060
1067H5      54.737998962   37.765998840   61.626998901 R34  34     HC      H   0.060
1068C3      54.132999420   35.798999786   61.007999420 R34  34     CT      C  -0.120
1069H6      53.700000763   35.342998505   60.143001556 R34  34     HC      H   0.060
1070H7      53.492000580   35.645999908   61.852001190 R34  34     HC      H   0.060
1071C4      55.507999420   35.166000366   61.289001465 R34  34     CT      C  -0.120
1072H8      55.942001343   35.622001648   62.154998779 R34  34     HC      H   0.060
1073H9      56.150001526   35.319000244   60.445999146 R34  34     HC      H   0.060
1074C5      55.337001801   33.654998779   61.535999298 R34  34     CT      C  -0.120
1075H10     54.903999329   33.199001312   60.671001434 R34  34     HC      H   0.060
1076H11     54.695999146   33.501998901   62.379001617 R34  34     HC      H   0.060
1077C6      56.713001251   33.021999359   61.816001892 R34  34     CT      C  -0.120
1078H12     57.145999908   33.478000641   62.680999756 R34  34     HC      H   0.060
1079H13     57.354000092   33.174999237   60.972999573 R34  34     HC      H   0.060
1080C7      56.541000366   31.511999130   62.062999725 R34  34     CT      C  -0.120
1081H14     56.109001160   31.055999756   61.196998596 R34  34     HC      H   0.060
1082H15     55.900001526   31.358999252   62.904998779 R34  34     HC      H   0.060
1083C8      57.916999817   30.878000259   62.342998505 R34  34     CT      C  -0.120
1084H16     58.351001740   31.333999634   63.208000183 R34  34     HC      H   0.060
1085H17     58.557998657   31.031000137   61.500000000 R34  34     HC      H   0.060
1086C9      57.745998383   29.368000031   62.590000153 R34  34     CT      C  -0.120
1087H18     57.312999725   28.910999298   61.723999023 R34  34     HC      H   0.060
1088H19     57.104999542   29.215000153   63.432998657 R34  34     HC      H   0.060
1089C10     59.120998383   28.733999252   62.869998932 R34  34     CT      C  -0.180
1090H20     59.555000305   29.190000534   63.736000061 R34  34     HC      H   0.060
1091H21     59.762001038   28.886999130   62.027000427 R34  34     HC      H   0.060
1092H22     59.001998901   27.684000015   63.041999817 R34  34     HC      H   0.060
1093C1      61.306999207   23.934000015   50.167999268 R35  35     CT      C  -0.180
1094H1      60.655998230   23.667999268   50.973999023 R35  35     HC      H   0.060
1095H2      60.799999237   23.791000366   49.236999512 R35  35     HC      H   0.060
1096H3      62.180000305   23.315999985   50.196998596 R35  35     HC      H   0.060
1097C2      61.720001221   25.410999298   50.306999207 R35  35     CT      C  -0.120
1098H4      62.227001190   25.554000854   51.237998962 R35  35     HC      H   0.060
1099H5      62.372001648   25.676000595   49.500999451 R35  35     HC      H   0.060
1100C3      60.463001251   26.299999237   50.263999939 R35  35     CT      C  -0.120
1101H6      59.811000824   26.034999847   51.069999695 R35  35     HC      H   0.060
1102H7      59.956001282   26.156999588   49.333000183 R35  35     HC      H   0.060
1103C4      60.875000000   27.777999878   50.402000427 R35  35     CT      C  -0.120
1104H8      61.527000427   28.044000626   49.596000671 R35  35     HC      H   0.060
1105H9      61.381999969   27.920999527   51.333999634 R35  35     HC      H   0.060
1106C5      59.618000031   28.666999817   50.360000610 R35  35     CT      C  -0.120
1107H10     58.965999603   28.402000427   51.166000366 R35  35     HC      H   0.060
1108H11     59.111000061   28.524000168   49.429000854 R35  35     HC      H   0.060
1109C6      60.030998230   30.143999100   50.498001099 R35  35     CT      C  -0.120
1110H12     60.681999207   30.410999298   49.693000793 R35  35     HC      H   0.060
1111H13     60.537998199   30.287000656   51.429000854 R35  35     HC      H   0.060
1112C7      58.773998260   31.034000397   50.456001282 R35  35     CT      C  -0.120
1113H14     58.122001648   30.768999100   51.262001038 R35  35     HC      H   0.060
1114H15     58.266998291   30.891000748   49.525001526 R35  35     HC      H   0.060
1115C8      59.186000824   32.512001038   50.595001221 R35  35     CT      C  -0.120
1116H16     59.838001251   32.777000427   49.789001465 R35  35     HC      H   0.060
1117H17     59.693000793   32.654998779   51.526000977 R35  35     HC      H   0.060
1118C9      57.929000854   33.401000977   50.551998138 R35  35     CT      C  -0.120
1119H18     57.277999878   33.136001587   51.358001709 R35  35     HC      H   0.060
1120H19     57.422000885   33.257999420   49.619998932 R35  35     HC      H   0.060
1121C10     58.340999603   34.879001617   50.689998627 R35  35     CT      C  -0.180
1122H20     58.993999481   35.144001007   49.883998871 R35  35     HC      H   0.060
1123H21     58.847999573   35.021999359   51.622001648 R35  35     HC      H   0.060
1124H22     57.467998505   35.495998383   50.660999298 R35  35     HC      H   0.060
1125C1      67.484001160   39.129001617   52.290000916 R36  36     CT      C  -0.180
1126H1      66.686996460   39.800998688   52.048000336 R36  36     HC      H   0.060
1127H2      67.990997314   38.838001251   51.395000458 R36  36     HC      H   0.060
1128H3      67.083999634   38.261001587   52.771999359 R36  36     HC      H   0.060
1129C2      68.474998474   39.828998566   53.237998962 R36  36     CT      C  -0.120
1130H4      67.968002319   40.119998932   54.133998871 R36  36     HC      H   0.060
1131H5      69.272003174   39.155998230   53.481998444 R36  36     HC      H   0.060
1132C3      69.051002502   41.077999115   52.546001434 R36  36     CT      C  -0.120
1133H6      68.255996704   41.750000000   52.303001404 R36  36     HC      H   0.060
1134H7      69.558998108   40.785999298   51.648998260 R36  36     HC      H   0.060
1135C4      70.043998718   41.777999878   53.492000580 R36  36     CT      C  -0.120
1136H8      70.841003418   41.105998993   53.736000061 R36  36     HC      H   0.060
1137H9      69.536003113   42.069000244   54.388999939 R36  36     HC      H   0.060
1138C5      70.620002747   43.027000427   52.799999237 R36  36     CT      C  -0.120
1139H10     69.824996948   43.700000763   52.556999207 R36  36     HC      H   0.060
1140H11     71.127998352   42.736000061   51.903999329 R36  36     HC      H   0.060
1141C6      71.611999512   43.727001190   53.748001099 R36  36     CT      C  -0.120
1142H12     72.408996582   43.055000305   53.991001129 R36  36     HC      H   0.060
1143H13     71.105003357   44.018001556   54.643001556 R36  36     HC      H   0.060
1144C7      72.188003540   44.976001740   53.055000305 R36  36     CT      C  -0.120
1145H14     71.392997742   45.648998260   52.812999725 R36  36     HC      H   0.060
1146H15     72.694999695   44.685001373   52.159000397 R36  36     HC      H   0.060
1147C8      73.180000305   45.676998138   54.001998901 R36  36     CT      C  -0.120
1148H16     73.976997375   45.004001617   54.245998383 R36  36     HC      H   0.060
1149H17     72.672996521   45.967998505   54.897998810 R36  36     HC      H   0.060
1150C9      73.757003784   46.925998688   53.310001373 R36  36     CT      C  -0.120
1151H18     72.960998535   47.597999573   53.067001343 R36  36     HC      H   0.060
1152H19     74.263999939   46.633998871   52.414001465 R36  36     HC      H   0.060
1153C10     74.749000549   47.625999451   54.256999969 R36  36     CT      C  -0.180
1154H20     75.545997620   46.953998566   54.500000000 R36  36     HC      H   0.060
1155H21     74.241996765   47.916999817   55.152999878 R36  36     HC      H   0.060
1156H22     75.150001526   48.493999481   53.776000977 R36  36     HC      H   0.060
1157C1      12.927000046   13.222000122   22.252000809 R37  37     CT      C  -0.180
1158H1      13.713000298   13.126999855   21.533000946 R37  37     HC      H   0.060
1159H2      13.192000389   13.963999748   22.975000381 R37  37     HC      H   0.060
1160H3      12.777999878   12.281999588   22.742000580 R37  37     HC      H   0.060
1161C2      11.626999855   13.640000343   21.538999557 R37  37     CT      C  -0.120
1162H4      11.362999916   12.897999763   20.815999985 R37  37     HC      H   0.060
1163H5      10.840000153   13.734000206   22.257999420 R37  37     HC      H   0.060
1164C3      11.842000008   14.991999626   20.833000183 R37  37     CT      C  -0.120
1165H6      12.628000259   14.897999763   20.114000320 R37  37     HC      H   0.060
1166H7      12.107000351   15.734000206   21.558000565 R37  37     HC      H   0.060
1167C4      10.541999817   15.411000252   20.121000290 R37  37     CT      C  -0.120
1168H8       9.755000114   15.505000114   20.840000153 R37  37     HC      H   0.060
1169H9      10.277999878   14.668999672   19.396999359 R37  37     HC      H   0.060
1170C5      10.756999969   16.763000488   19.415000916 R37  37     CT      C  -0.120
1171H10     11.543999672   16.669000626   18.695999146 R37  37     HC      H   0.060
1172H11     11.022000313   17.504999161   20.138999939 R37  37     HC      H   0.060
1173C6       9.458000183   17.181999207   18.702999115 R37  37     CT      C  -0.120
1174H12      8.670999527   17.275999069   19.420999527 R37  37     HC      H   0.060
1175H13      9.192999840   16.440000534   17.979000092 R37  37     HC      H   0.060
1176C7       9.673000336   18.533000946   17.996999741 R37  37     CT      C  -0.120
1177H14     10.458999634   18.438999176   17.277999878 R37  37     HC      H   0.060
1178H15      9.937000275   19.274999619   18.719999313 R37  37     HC      H   0.060
1179C8       8.373000145   18.952999115   17.284000397 R37  37     CT      C  -0.120
1180H16      7.585999966   19.045999527   18.003000259 R37  37     HC      H   0.060
1181H17      8.107999802   18.211000443   16.559999466 R37  37     HC      H   0.060
1182C9       8.588000298   20.304000854   16.577999115 R37  37     CT      C  -0.120
1183H18      9.373999596   20.209999084   15.859000206 R37  37     HC      H   0.060
1184H19      8.852999687   21.047000885   17.302000046 R37  37     HC      H   0.060
1185C10      7.288000107   20.724000931   15.866000175 R37  37     CT      C  -0.180
1186H20      6.500999928   20.818000793   16.584999084 R37  37     HC      H   0.060
1187H21      7.024000168   19.982000351   15.142000198 R37  37     HC      H   0.060
1188H22      7.438000202   21.663000107   15.375000000 R37  37     HC      H   0.060
1189C1      39.562999725   32.571998596   61.404998779 R38  38     CT      C  -0.180
1190H1      38.620998383   32.712001801   60.918998718 R38  38     HC      H   0.060
1191H2      39.401000977   32.314998627   62.430000305 R38  38     HC      H   0.060
1192H3      40.130001068   33.478000641   61.349998474 R38  38     HC      H   0.060
1193C2      40.338001251   31.438999176   60.707000732 R38  38     CT      C  -0.120
1194H4      40.500000000   31.697000504   59.680999756 R38  38     HC      H   0.060
1195H5      41.282001495   31.299999237   61.193000793 R38  38     HC      H   0.060
1196C3      39.521999359   30.135999680   60.785999298 R38  38     CT      C  -0.120
1197H6      38.580001831   30.274000168   60.299999237 R38  38     HC      H   0.060
1198H7      39.361000061   29.878000259   61.812000275 R38  38     HC      H   0.060
1199C4      40.297000885   29.000999451   60.089000702 R38  38     CT      C  -0.120
1200H8      41.241001129   28.861999512   60.575000763 R38  38     HC      H   0.060
1201H9      40.458999634   29.259000778   59.062999725 R38  38     HC      H   0.060
1202C5      39.480998993   27.697999954   60.167999268 R38  38     CT      C  -0.120
1203H10     38.539001465   27.836999893   59.681999207 R38  38     HC      H   0.060
1204H11     39.319000244   27.440000534   61.194000244 R38  38     HC      H   0.060
1205C6      40.256999969   26.565000534   59.470001221 R38  38     CT      C  -0.120
1206H12     41.199001312   26.424999237   59.956001282 R38  38     HC      H   0.060
1207H13     40.417999268   26.822000504   58.444999695 R38  38     HC      H   0.060
1208C7      39.439998627   25.260999680   59.549999237 R38  38     CT      C  -0.120
1209H14     38.498001099   25.399999619   59.062999725 R38  38     HC      H   0.060
1210H15     39.278999329   25.003999710   60.575000763 R38  38     HC      H   0.060
1211C8      40.215000153   24.127000809   58.852001190 R38  38     CT      C  -0.120
1212H16     41.158000946   23.988000870   59.337001801 R38  38     HC      H   0.060
1213H17     40.376998901   24.385000229   57.826000214 R38  38     HC      H   0.060
1214C9      39.398998260   22.823999405   58.930999756 R38  38     CT      C  -0.120
1215H18     38.456001282   22.961999893   58.444999695 R38  38     HC      H   0.060
1216H19     39.237998962   22.565999985   59.957000732 R38  38     HC      H   0.060
1217C10     40.173999786   21.690000534   58.234001160 R38  38     CT      C  -0.180
1218H20     41.117000580   21.549999237   58.720001221 R38  38     HC      H   0.060
1219H21     40.335998535   21.947000504   57.207000732 R38  38     HC      H   0.060
1220H22     39.606998444   20.784000397   58.289001465 R38  38     HC      H   0.060
1221C1      42.046001434    9.609000206   11.871000290 R39  39     CT      C  -0.180
1222H1      42.201000214    9.651000023   12.928000450 R39  39     HC      H   0.060
1223H2      41.491001129   10.468000412   11.557000160 R39  39     HC      H   0.060
1224H3      41.500000000    8.722000122   11.625000000 R39  39     HC      H   0.060
1225C2      43.408000946    9.586999893   11.152000427 R39  39     CT      C  -0.120
1226H4      43.963001251    8.727999687   11.465999603 R39  39     HC      H   0.060
1227H5      43.252998352    9.543999672   10.093999863 R39  39     HC      H   0.060
1228C3      44.194000244   10.862999916   11.505000114 R39  39     CT      C  -0.120
1229H6      44.349998474   10.906000137   12.562000275 R39  39     HC      H   0.060
1230H7      43.638999939   11.722999573   11.189999580 R39  39     HC      H   0.060
1231C4      45.555999756   10.843000412   10.786000252 R39  39     CT      C  -0.120
1232H8      45.401000977   10.800000191    9.727999687 R39  39     HC      H   0.060
1233H9      46.111999512    9.982999802   11.100000381 R39  39     HC      H   0.060
1234C5      46.341999054   12.119000435   11.138999939 R39  39     CT      C  -0.120
1235H10     46.498001099   12.161000252   12.196000099 R39  39     HC      H   0.060
1236H11     45.786998749   12.977999687   10.824999809 R39  39     HC      H   0.060
1237C6      47.703998566   12.097000122   10.420000076 R39  39     CT      C  -0.120
1238H12     47.549999237   12.055000305    9.362000465 R39  39     HC      H   0.060
1239H13     48.258998871   11.237999916   10.734000206 R39  39     HC      H   0.060
1240C7      48.490001678   13.373000145   10.772999763 R39  39     CT      C  -0.120
1241H14     48.645999908   13.416000366   11.829999924 R39  39     HC      H   0.060
1242H15     47.935001373   14.232000351   10.458999634 R39  39     HC      H   0.060
1243C8      49.853000641   13.352000237   10.055000305 R39  39     CT      C  -0.120
1244H16     49.698001862   13.309000015    8.996999741 R39  39     HC      H   0.060
1245H17     50.408000946   12.493000031   10.368000031 R39  39     HC      H   0.060
1246C9      50.638999939   14.628999710   10.406999588 R39  39     CT      C  -0.120
1247H18     50.794998169   14.670999527   11.465000153 R39  39     HC      H   0.060
1248H19     50.083999634   15.487999916   10.093000412 R39  39     HC      H   0.060
1249C10     52.000999451   14.607999802    9.687999725 R39  39     CT      C  -0.180
1250H20     51.846000671   14.564999580    8.630000114 R39  39     HC      H   0.060
1251H21     52.556999207   13.748000145   10.003000259 R39  39     HC      H   0.060
1252H22     52.547000885   15.494999886    9.934000015 R39  39     HC      H   0.060
1253C1      61.083999634   13.263999939   48.523998260 R40  40     CT      C  -0.180
1254H1      60.016998291   13.326000214   48.478000641 R40  40     HC      H   0.060
1255H2      61.408000946   12.345000267   48.083000183 R40  40     HC      H   0.060
1256H3      61.398998260   13.300000191   49.546001434 R40  40     HC      H   0.060
1257C2      61.701000214   14.447999954   47.756000519 R40  40     CT      C  -0.120
1258H4      61.375999451   15.366999626   48.196998596 R40  40     HC      H   0.060
1259H5      62.768001556   14.387000084   47.803001404 R40  40     HC      H   0.060
1260C3      61.248001099   14.395999908   46.284999847 R40  40     CT      C  -0.120
1261H6      60.180999756   14.458000183   46.237998962 R40  40     HC      H   0.060
1262H7      61.573001862   13.477000237   45.844001770 R40  40     HC      H   0.060
1263C4      61.865001678   15.579000473   45.515998840 R40  40     CT      C  -0.120
1264H8      62.932998657   15.519000053   45.562999725 R40  40     HC      H   0.060
1265H9      61.540000916   16.499000549   45.957000732 R40  40     HC      H   0.060
1266C5      61.412998199   15.527000427   44.044998169 R40  40     CT      C  -0.120
1267H10     60.346000671   15.588999748   43.997001648 R40  40     HC      H   0.060
1268H11     61.736999512   14.607999802   43.604000092 R40  40     HC      H   0.060
1269C6      62.029998779   16.711000443   43.277000427 R40  40     CT      C  -0.120
1270H12     63.097000122   16.649999619   43.323001862 R40  40     HC      H   0.060
1271H13     61.705001831   17.629999161   43.716999054 R40  40     HC      H   0.060
1272C7      61.576999664   16.659000397   41.805999756 R40  40     CT      C  -0.120
1273H14     60.509998322   16.721000671   41.757999420 R40  40     HC      H   0.060
1274H15     61.901000977   15.739999771   41.365001678 R40  40     HC      H   0.060
1275C8      62.193000793   17.843000412   41.036998749 R40  40     CT      C  -0.120
1276H16     63.261001587   17.781999588   41.083999634 R40  40     HC      H   0.060
1277H17     61.868999481   18.761999130   41.477001190 R40  40     HC      H   0.060
1278C9      61.741001129   17.791000366   39.566001892 R40  40     CT      C  -0.120
1279H18     60.673999786   17.853000641   39.518001556 R40  40     HC      H   0.060
1280H19     62.066001892   16.871999741   39.125000000 R40  40     HC      H   0.060
1281C10     62.358001709   18.975000381   38.796001434 R40  40     CT      C  -0.180
1282H20     63.425998688   18.913999557   38.844001770 R40  40     HC      H   0.060
1283H21     62.033000946   19.893999100   39.236999512 R40  40     HC      H   0.060
1284H22     62.042999268   18.937999725   37.773998260 R40  40     HC      H   0.060
1285C1      41.951000214   50.361000061   38.964000702 R41  41     CT      C  -0.180
1286H1      41.049999237   50.576999664   38.430000305 R41  41     HC      H   0.060
1287H2      42.794998169   50.630001068   38.365001678 R41  41     HC      H   0.060
1288H3      41.991001129   49.314998627   39.187000275 R41  41     HC      H   0.060
1289C2      41.974998474   51.165000916   40.277000427 R41  41     CT      C  -0.120
1290H4      41.130001068   50.895000458   40.875999451 R41  41     HC      H   0.060
1291H5      42.875000000   50.948001862   40.812999725 R41  41     HC      H   0.060
1292C3      41.916999817   52.669998169   39.957000732 R41  41     CT      C  -0.120
1293H6      41.015998840   52.887001038   39.422000885 R41  41     HC      H   0.060
1294H7      42.762001038   52.939998627   39.358001709 R41  41     HC      H   0.060
1295C4      41.941001892   53.476001740   41.270000458 R41  41     CT      C  -0.120
1296H8      42.841999054   53.258998871   41.805000305 R41  41     HC      H   0.060
1297H9      41.096000671   53.206001282   41.868999481 R41  41     HC      H   0.060
1298C5      41.883998871   54.980998993   40.950000763 R41  41     CT      C  -0.120
1299H10     40.983001709   55.198001862   40.415000916 R41  41     HC      H   0.060
1300H11     42.728000641   55.250999451   40.351001740 R41  41     HC      H   0.060
1301C6      41.907001495   55.784999847   42.263000488 R41  41     CT      C  -0.120
1302H12     42.807998657   55.569999695   42.798000336 R41  41     HC      H   0.060
1303H13     41.062999725   55.515998840   42.861000061 R41  41     HC      H   0.060
1304C7      41.849998474   57.291000366   41.942001343 R41  41     CT      C  -0.120
1305H14     40.949001312   57.507999420   41.408000946 R41  41     HC      H   0.060
1306H15     42.694000244   57.561000824   41.344001770 R41  41     HC      H   0.060
1307C8      41.873001099   58.096000671   43.255001068 R41  41     CT      C  -0.120
1308H16     42.773998260   57.879001617   43.791000366 R41  41     HC      H   0.060
1309H17     41.028999329   57.826000214   43.854000092 R41  41     HC      H   0.060
1310C9      41.816001892   59.601001740   42.935001373 R41  41     CT      C  -0.120
1311H18     40.915000916   59.819000244   42.400001526 R41  41     HC      H   0.060
1312H19     42.660999298   59.870998383   42.335998535 R41  41     HC      H   0.060
1313C10     41.840000153   60.407001495   44.248001099 R41  41     CT      C  -0.180
1314H20     42.741001129   60.189998627   44.783000946 R41  41     HC      H   0.060
1315H21     40.994998932   60.137001038   44.847000122 R41  41     HC      H   0.060
1316H22     41.799999237   61.452999115   44.025001526 R41  41     HC      H   0.060
1317C1      12.730999947   52.411998749   37.597999573 R42  42     CT      C  -0.180
1318H1      13.682999611   52.220001221   38.046001434 R42  42     HC      H   0.060
1319H2      12.845000267   53.118000031   36.804000854 R42  42     HC      H   0.060
1320H3      12.064000130   52.808998108   38.334999084 R42  42     HC      H   0.060
1321C2      12.152000427   51.098999023   37.039001465 R42  42     CT      C  -0.120
1322H4      12.036999702   50.391998291   37.833999634 R42  42     HC      H   0.060
1323H5      11.199000359   51.290000916   36.591999054 R42  42     HC      H   0.060
1324C3      13.111000061   50.527000427   35.979000092 R42  42     CT      C  -0.120
1325H6      14.064000130   50.333999634   36.425998688 R42  42     HC      H   0.060
1326H7      13.225999832   51.234001160   35.182998657 R42  42     HC      H   0.060
1327C4      12.532999992   49.214000702   35.417999268 R42  42     CT      C  -0.120
1328H8      11.579999924   49.404998779   34.971000671 R42  42     HC      H   0.060
1329H9      12.418999672   48.506999969   36.214000702 R42  42     HC      H   0.060
1330C5      13.491999626   48.641998291   34.358001709 R42  42     CT      C  -0.120
1331H10     14.444999695   48.450000763   34.805000305 R42  42     HC      H   0.060
1332H11     13.607000351   49.347999573   33.562999725 R42  42     HC      H   0.060
1333C6      12.913999557   47.328998566   33.798000336 R42  42     CT      C  -0.120
1334H12     11.961000443   47.520000458   33.349998474 R42  42     HC      H   0.060
1335H13     12.798999786   46.622001648   34.592998505 R42  42     HC      H   0.060
1336C7      13.873000145   46.756999969   32.737998962 R42  42     CT      C  -0.120
1337H14     14.824999809   46.564998627   33.185001373 R42  42     HC      H   0.060
1338H15     13.987999916   47.463001251   31.943000793 R42  42     HC      H   0.060
1339C8      13.295000076   45.443000793   32.178001404 R42  42     CT      C  -0.120
1340H16     12.342000008   45.634998322   31.731000900 R42  42     HC      H   0.060
1341H17     13.180000305   44.736999512   32.972999573 R42  42     HC      H   0.060
1342C9      14.253999710   44.872001648   31.117000580 R42  42     CT      C  -0.120
1343H18     15.206999779   44.679000854   31.563999176 R42  42     HC      H   0.060
1344H19     14.368000031   45.577999115   30.322000504 R42  42     HC      H   0.060
1345C10     13.675999641   43.557998657   30.556999207 R42  42     CT      C  -0.180
1346H20     12.722999573   43.750000000   30.110000610 R42  42     HC      H   0.060
1347H21     13.560999870   42.852001190   31.351999283 R42  42     HC      H   0.060
1348H22     14.342000008   43.160999298   29.819999695 R42  42     HC      H   0.060
1349C1      10.192999840   54.471000671   21.186000824 R43  43     CT      C  -0.180
1350H1      10.133999825   53.750999451   20.398000717 R43  43     HC      H   0.060
1351H2      10.029000282   53.986999512   22.125999451 R43  43     HC      H   0.060
1352H3       9.446999550   55.223999023   21.037000656 R43  43     HC      H   0.060
1353C2      11.588000298   55.124000549   21.181999207 R43  43     CT      C  -0.120
1354H4      11.753000259   55.608001709   20.242000580 R43  43     HC      H   0.060
1355H5      11.647000313   55.846000671   21.969999313 R43  43     HC      H   0.060
1356C3      12.661999702   54.041000366   21.395999908 R43  43     CT      C  -0.120
1357H6      12.602999687   53.319999695   20.607999802 R43  43     HC      H   0.060
1358H7      12.496999741   53.556999207   22.336999893 R43  43     HC      H   0.060
1359C4      14.057000160   54.693000793   21.392999649 R43  43     CT      C  -0.120
1360H8      14.116000175   55.415000916   22.180999756 R43  43     HC      H   0.060
1361H9      14.222000122   55.176998138   20.452999115 R43  43     HC      H   0.060
1362C5      15.130000114   53.610000610   21.607999802 R43  43     CT      C  -0.120
1363H10     15.071999550   52.888999939   20.819999695 R43  43     HC      H   0.060
1364H11     14.965999603   53.125999451   22.547000885 R43  43     HC      H   0.060
1365C6      16.524999619   54.263000488   21.604000092 R43  43     CT      C  -0.120
1366H12     16.584999084   54.984001160   22.392000198 R43  43     HC      H   0.060
1367H13     16.690000534   54.747001648   20.663999557 R43  43     HC      H   0.060
1368C7      17.599000931   53.180000305   21.818000793 R43  43     CT      C  -0.120
1369H14     17.541000366   52.458999634   21.030000687 R43  43     HC      H   0.060
1370H15     17.434000015   52.695999146   22.757999420 R43  43     HC      H   0.060
1371C8      18.993999481   53.832000732   21.813999176 R43  43     CT      C  -0.120
1372H16     19.052999496   54.554000854   22.601999283 R43  43     HC      H   0.060
1373H17     19.159000397   54.316001892   20.875000000 R43  43     HC      H   0.060
1374C9      20.068000793   52.749000549   22.028999329 R43  43     CT      C  -0.120
1375H18     20.010000229   52.027999878   21.239999771 R43  43     HC      H   0.060
1376H19     19.902999878   52.264999390   22.968999863 R43  43     HC      H   0.060
1377C10     21.462999344   53.401000977   22.024999619 R43  43     CT      C  -0.180
1378H20     21.521999359   54.123001099   22.813999176 R43  43     HC      H   0.060
1379H21     21.628000259   53.884998322   21.084999084 R43  43     HC      H   0.060
1380H22     22.208999634   52.647998810   22.173999786 R43  43     HC      H   0.060
1381C1      71.278999329   39.054000854   43.379001617 R44  44     CT      C  -0.180
1382H1      70.736000061   39.775001526   42.805000305 R44  44     HC      H   0.060
1383H2      70.732002258   38.134998322   43.407001495 R44  44     HC      H   0.060
1384H3      71.413002014   39.419998169   44.375000000 R44  44     HC      H   0.060
1385C2      72.654998779   38.812999725   42.730998993 R44  44     CT      C  -0.120
1386H4      73.202003479   39.731998444   42.702999115 R44  44     HC      H   0.060
1387H5      73.198997498   38.092998505   43.305999756 R44  44     HC      H   0.060
1388C3      72.461997986   38.285999298   41.297000885 R44  44     CT      C  -0.120
1389H6      71.918998718   39.006999969   40.722999573 R44  44     HC      H   0.060
1390H7      71.915000916   37.367000580   41.326000214 R44  44     HC      H   0.060
1391C4      73.837997437   38.043998718   40.650001526 R44  44     CT      C  -0.120
1392H8      74.382003784   37.324001312   41.223999023 R44  44     HC      H   0.060
1393H9      74.385002136   38.964000702   40.620998383 R44  44     HC      H   0.060
1394C5      73.644996643   37.516998291   39.215000153 R44  44     CT      C  -0.120
1395H10     73.101997375   38.237998962   38.640998840 R44  44     HC      H   0.060
1396H11     73.097999573   36.597999573   39.243999481 R44  44     HC      H   0.060
1397C6      75.021003723   37.276000977   38.568000793 R44  44     CT      C  -0.120
1398H12     75.565002441   36.555000305   39.141998291 R44  44     HC      H   0.060
1399H13     75.568000793   38.194999695   38.540000916 R44  44     HC      H   0.060
1400C7      74.828002930   36.749000549   37.133998871 R44  44     CT      C  -0.120
1401H14     74.285003662   37.470001221   36.558998108 R44  44     HC      H   0.060
1402H15     74.280998230   35.830001831   37.161998749 R44  44     HC      H   0.060
1403C8      76.205001831   36.507999420   36.486000061 R44  44     CT      C  -0.120
1404H16     76.748001099   35.787998199   37.061000824 R44  44     HC      H   0.060
1405H17     76.750999451   37.426998138   36.457000732 R44  44     HC      H   0.060
1406C9      76.011001587   35.980998993   35.051998138 R44  44     CT      C  -0.120
1407H18     75.469001770   36.701999664   34.477001190 R44  44     HC      H   0.060
1408H19     75.464996338   35.061000824   35.080001831 R44  44     HC      H   0.060
1409C10     77.388000488   35.738998413   34.403999329 R44  44     CT      C  -0.180
1410H20     77.930999756   35.018001556   34.979000092 R44  44     HC      H   0.060
1411H21     77.933998108   36.659000397   34.375000000 R44  44     HC      H   0.060
1412H22     77.252998352   35.373001099   33.407001495 R44  44     HC      H   0.060
1413C1      58.695999146   30.766000748   17.841999054 R45  45     CT      C  -0.180
1414H1      59.592998505   30.528999329   17.309999466 R45  45     HC      H   0.060
1415H2      58.713001251   30.290000916   18.799999237 R45  45     HC      H   0.060
1416H3      57.849998474   30.417999268   17.285999298 R45  45     HC      H   0.060
1417C2      58.595001221   32.291000366   18.027000427 R45  45     CT      C  -0.120
1418H4      58.577999115   32.765998840   17.069000244 R45  45     HC      H   0.060
1419H5      57.696998596   32.527999878   18.559000015 R45  45     HC      H   0.060
1420C3      59.812000275   32.791999817   18.826999664 R45  45     CT      C  -0.120
1421H6      60.709999084   32.555999756   18.295999527 R45  45     HC      H   0.060
1422H7      59.828998566   32.316001892   19.785999298 R45  45     HC      H   0.060
1423C4      59.712001801   34.318000793   19.013999939 R45  45     CT      C  -0.120
1424H8      58.812999725   34.554000854   19.545000076 R45  45     HC      H   0.060
1425H9      59.694999695   34.792999268   18.055000305 R45  45     HC      H   0.060
1426C5      60.929000854   34.818000793   19.813999176 R45  45     CT      C  -0.120
1427H10     61.826999664   34.582000732   19.283000946 R45  45     HC      H   0.060
1428H11     60.945999146   34.342998505   20.771999359 R45  45     HC      H   0.060
1429C6      60.827999115   36.344001770   19.999000549 R45  45     CT      C  -0.120
1430H12     59.930000305   36.581001282   20.531000137 R45  45     HC      H   0.060
1431H13     60.811000824   36.819000244   19.041000366 R45  45     HC      H   0.060
1432C7      62.044998169   36.844001770   20.798999786 R45  45     CT      C  -0.120
1433H14     62.943000793   36.609001160   20.267999649 R45  45     HC      H   0.060
1434H15     62.062000275   36.368999481   21.756999969 R45  45     HC      H   0.060
1435C8      61.944999695   38.369998932   20.985000610 R45  45     CT      C  -0.120
1436H16     61.046001434   38.606998444   21.516000748 R45  45     HC      H   0.060
1437H17     61.928001404   38.845001221   20.027000427 R45  45     HC      H   0.060
1438C9      63.161998749   38.870998383   21.784999847 R45  45     CT      C  -0.120
1439H18     64.059997559   38.634998322   21.253999710 R45  45     HC      H   0.060
1440H19     63.178001404   38.395000458   22.743999481 R45  45     HC      H   0.060
1441C10     63.061000824   40.396999359   21.971000671 R45  45     CT      C  -0.180
1442H20     62.162998199   40.632999420   22.503000259 R45  45     HC      H   0.060
1443H21     63.044998169   40.872001648   21.013000488 R45  45     HC      H   0.060
1444H22     63.907001495   40.743999481   22.527000427 R45  45     HC      H   0.060
1445C1      48.241001129   25.513000488   36.673999786 R46  46     CT      C  -0.180
1446H1      49.298999786   25.576000214   36.813999176 R46  46     HC      H   0.060
1447H2      48.014999390   25.565999985   35.630001068 R46  46     HC      H   0.060
1448H3      47.764999390   26.325000763   37.182998657 R46  46     HC      H   0.060
1449C2      47.726001740   24.177999496   37.243000031 R46  46     CT      C  -0.120
1450H4      47.952999115   24.125000000   38.287998199 R46  46     HC      H   0.060
1451H5      46.666999817   24.114999771   37.104999542 R46  46     HC      H   0.060
1452C3      48.410999298   23.010000229   36.509998322 R46  46     CT      C  -0.120
1453H6      49.470001221   23.072000504   36.648998260 R46  46     HC      H   0.060
1454H7      48.183998108   23.062999725   35.465000153 R46  46     HC      H   0.060
1455C4      47.895999908   21.673999786   37.077999115 R46  46     CT      C  -0.120
1456H8      46.837001801   21.611000061   36.938999176 R46  46     HC      H   0.060
1457H9      48.123001099   21.621000290   38.123001099 R46  46     HC      H   0.060
1458C5      48.581001282   20.506000519   36.344001770 R46  46     CT      C  -0.120
1459H10     49.638999939   20.568000793   36.484001160 R46  46     HC      H   0.060
1460H11     48.354000092   20.559000015   35.299999237 R46  46     HC      H   0.060
1461C6      48.066001892   19.170999527   36.914001465 R46  46     CT      C  -0.120
1462H12     47.006999969   19.107000351   36.775001526 R46  46     HC      H   0.060
1463H13     48.291999817   19.118000031   37.958000183 R46  46     HC      H   0.060
1464C7      48.750999451   18.003000259   36.180000305 R46  46     CT      C  -0.120
1465H14     49.808998108   18.065000534   36.319999695 R46  46     HC      H   0.060
1466H15     48.523998260   18.055999756   35.136001587 R46  46     HC      H   0.060
1467C8      48.236999512   16.666999817   36.750000000 R46  46     CT      C  -0.120
1468H16     47.176998138   16.604000092   36.611000061 R46  46     HC      H   0.060
1469H17     48.463001251   16.614000320   37.793998718 R46  46     HC      H   0.060
1470C9      48.921001434   15.498999596   36.015998840 R46  46     CT      C  -0.120
1471H18     49.979999542   15.560999870   36.154998779 R46  46     HC      H   0.060
1472H19     48.694000244   15.552000046   34.971000671 R46  46     HC      H   0.060
1473C10     48.405998230   14.163000107   36.584999084 R46  46     CT      C  -0.180
1474H20     47.347000122   14.100000381   36.445999146 R46  46     HC      H   0.060
1475H21     48.632999420   14.109999657   37.629001617 R46  46     HC      H   0.060
1476H22     48.881999969   13.350999832   36.075000763 R46  46     HC      H   0.060
1477C1      74.940002441   50.776000977   27.025999069 R47  47     CT      C  -0.180
1478H1      74.272003174   50.946998596   26.208000183 R47  47     HC      H   0.060
1479H2      74.458999634   51.046001434   27.941999435 R47  47     HC      H   0.060
1480H3      75.820999146   51.369998932   26.896999359 R47  47     HC      H   0.060
1481C2      75.328002930   49.285999298   27.069000244 R47  47     CT      C  -0.120
1482H4      75.808998108   49.015998840   26.152999878 R47  47     HC      H   0.060
1483H5      75.997001648   49.115001678   27.886999130 R47  47     HC      H   0.060
1484C3      74.059997559   48.431999207   27.254999161 R47  47     CT      C  -0.120
1485H6      73.391998291   48.602001190   26.437999725 R47  47     HC      H   0.060
1486H7      73.579002380   48.701999664   28.173000336 R47  47     HC      H   0.060
1487C4      74.447998047   46.942001343   27.299999237 R47  47     CT      C  -0.120
1488H8      75.115997314   46.770999908   28.118000031 R47  47     HC      H   0.060
1489H9      74.928001404   46.671001434   26.382999420 R47  47     HC      H   0.060
1490C5      73.180000305   46.087001801   27.486000061 R47  47     CT      C  -0.120
1491H10     72.512001038   46.256999969   26.669000626 R47  47     HC      H   0.060
1492H11     72.698997498   46.358001709   28.402999878 R47  47     HC      H   0.060
1493C6      73.568000793   44.597000122   27.530000687 R47  47     CT      C  -0.120
1494H12     74.236000061   44.425998688   28.347999573 R47  47     HC      H   0.060
1495H13     74.049003601   44.326999664   26.614000320 R47  47     HC      H   0.060
1496C7      72.300003052   43.743000031   27.715999603 R47  47     CT      C  -0.120
1497H14     71.632003784   43.912998199   26.898000717 R47  47     HC      H   0.060
1498H15     71.819000244   44.013000488   28.631999969 R47  47     HC      H   0.060
1499C8      72.686996460   42.252998352   27.760000229 R47  47     CT      C  -0.120
1500H16     73.356002808   42.082000732   28.577999115 R47  47     HC      H   0.060
1501H17     73.167999268   41.981998444   26.843999863 R47  47     HC      H   0.060
1502C9      71.419998169   41.397998810   27.945999146 R47  47     CT      C  -0.120
1503H18     70.750999451   41.568000793   27.128000259 R47  47     HC      H   0.060
1504H19     70.939002991   41.668998718   28.863000870 R47  47     HC      H   0.060
1505C10     71.806999207   39.908000946   27.990999222 R47  47     CT      C  -0.180
1506H20     72.475997925   39.736999512   28.809000015 R47  47     HC      H   0.060
1507H21     72.288002014   39.637001038   27.073999405 R47  47     HC      H   0.060
1508H22     70.926002502   39.313999176   28.120000839 R47  47     HC      H   0.060
1509C1      48.151000977   60.715000153   59.205001831 R48  48     CT      C  -0.180
1510H1      47.889999390   60.276000977   60.145000458 R48  48     HC      H   0.060
1511H2      48.612998962   61.666000366   59.370998383 R48  48     HC      H   0.060
1512H3      47.268001556   60.846000671   58.616001129 R48  48     HC      H   0.060
1513C2      49.131999969   59.790000916   58.460998535 R48  48     CT      C  -0.120
1514H4      48.669998169   58.840000153   58.294998169 R48  48     HC      H   0.060
1515H5      49.393001556   60.229000092   57.520000458 R48  48     HC      H   0.060
1516C3      50.402999878   59.602001190   59.310001373 R48  48     CT      C  -0.120
1517H6      50.143001556   59.162998199   60.250000000 R48  48     HC      H   0.060
1518H7      50.866001129   60.554000854   59.474998474 R48  48     HC      H   0.060
1519C4      51.384998322   58.678001404   58.564998627 R48  48     CT      C  -0.120
1520H8      51.645999908   59.117000580   57.625000000 R48  48     HC      H   0.060
1521H9      50.923000336   57.727001190   58.400001526 R48  48     HC      H   0.060
1522C5      52.657001495   58.490001678   59.414001465 R48  48     CT      C  -0.120
1523H10     52.395999908   58.050998688   60.354000092 R48  48     HC      H   0.060
1524H11     53.118999481   59.439998627   59.580001831 R48  48     HC      H   0.060
1525C6      53.638000488   57.564998627   58.669998169 R48  48     CT      C  -0.120
1526H12     53.898998260   58.004001617   57.729999542 R48  48     HC      H   0.060
1527H13     53.175998688   56.615001678   58.504001617 R48  48     HC      H   0.060
1528C7      54.909000397   57.376998901   59.519001007 R48  48     CT      C  -0.120
1529H14     54.648998260   56.937999725   60.458000183 R48  48     HC      H   0.060
1530H15     55.370998383   58.326999664   59.683998108 R48  48     HC      H   0.060
1531C8      55.889999390   56.451999664   58.775001526 R48  48     CT      C  -0.120
1532H16     56.151000977   56.890998840   57.833999634 R48  48     HC      H   0.060
1533H17     55.429000854   55.500999451   58.609001160 R48  48     HC      H   0.060
1534C9      57.161998749   56.263999939   59.623001099 R48  48     CT      C  -0.120
1535H18     56.901000977   55.824001312   60.562999725 R48  48     HC      H   0.060
1536H19     57.624000549   57.215000153   59.789001465 R48  48     HC      H   0.060
1537C10     58.144001007   55.339000702   58.879001617 R48  48     CT      C  -0.180
1538H20     58.403999329   55.777999878   57.937999725 R48  48     HC      H   0.060
1539H21     57.680999756   54.388000488   58.714000702 R48  48     HC      H   0.060
1540H22     59.027000427   55.208999634   59.469001770 R48  48     HC      H   0.060
1541C1      31.017000198   39.807998657    5.590000153 R49  49     CT      C  -0.180
1542H1      32.047000885   39.652999878    5.833000183 R49  49     HC      H   0.060
1543H2      30.613000870   38.916000366    5.160999775 R49  49     HC      H   0.060
1544H3      30.934000015   40.611000061    4.888000011 R49  49     HC      H   0.060
1545C2      30.235000610   40.162998199    6.868999958 R49  49     CT      C  -0.120
1546H4      30.638999939   41.055000305    7.297999859 R49  49     HC      H   0.060
1547H5      29.204999924   40.319000244    6.625000000 R49  49     HC      H   0.060
1548C3      30.354999542   39.006999969    7.879000187 R49  49     CT      C  -0.120
1549H6      31.385000229   38.851001740    8.123000145 R49  49     HC      H   0.060
1550H7      29.950000763   38.113998413    7.449999809 R49  49     HC      H   0.060
1551C4      29.572000504   39.360000610    9.157999992 R49  49     CT      C  -0.120
1552H8      28.541999817   39.516998291    8.914999962 R49  49     HC      H   0.060
1553H9      29.976999283   40.252998352    9.588000298 R49  49     HC      H   0.060
1554C5      29.691999435   38.203998566   10.168999672 R49  49     CT      C  -0.120
1555H10     30.721000671   38.048999786   10.413000107 R49  49     HC      H   0.060
1556H11     29.287000656   37.312000275    9.739999771 R49  49     HC      H   0.060
1557C6      28.909999847   38.558998108   11.447999954 R49  49     CT      C  -0.120
1558H12     27.878999710   38.715000153   11.204999924 R49  49     HC      H   0.060
1559H13     29.313999176   39.451000214   11.876999855 R49  49     HC      H   0.060
1560C7      29.028999329   37.402999878   12.458000183 R49  49     CT      C  -0.120
1561H14     30.059000015   37.247001648   12.701999664 R49  49     HC      H   0.060
1562H15     28.625000000   36.511001587   12.029000282 R49  49     HC      H   0.060
1563C8      28.246999741   37.756999969   13.737999916 R49  49     CT      C  -0.120
1564H16     27.216999054   37.912998199   13.494000435 R49  49     HC      H   0.060
1565H17     28.650999069   38.648998260   14.166999817 R49  49     HC      H   0.060
1566C9      28.367000580   36.601001740   14.748000145 R49  49     CT      C  -0.120
1567H18     29.395999908   36.444999695   14.991999626 R49  49     HC      H   0.060
1568H19     27.961999893   35.708000183   14.317999840 R49  49     HC      H   0.060
1569C10     27.583999634   36.953998566   16.027000427 R49  49     CT      C  -0.180
1570H20     26.554000854   37.111000061   15.784000397 R49  49     HC      H   0.060
1571H21     27.989000320   37.847000122   16.457000732 R49  49     HC      H   0.060
1572H22     27.666999817   36.151000977   16.729000092 R49  49     HC      H   0.060
1573C1      21.377000809   15.706000328   49.311000824 R50  50     CT      C  -0.180
1574H1      21.211000443   15.822999954   50.361000061 R50  50     HC      H   0.060
1575H2      21.259000778   16.650999069   48.823001862 R50  50     HC      H   0.060
1576H3      20.669000626   15.008999825   48.914001465 R50  50     HC      H   0.060
1577C2      22.804000854   15.178999901   49.071998596 R50  50     CT      C  -0.120
1578H4      22.920999527   14.234000206   49.560001373 R50  50     HC      H   0.060
1579H5      22.969999313   15.060999870   48.021999359 R50  50     HC      H   0.060
1580C3      23.822999954   16.181999207   49.644001007 R50  50     CT      C  -0.120
1581H6      23.658000946   16.298999786   50.694999695 R50  50     HC      H   0.060
1582H7      23.705999374   17.127000809   49.155998230 R50  50     HC      H   0.060
1583C4      25.250999451   15.656000137   49.404998779 R50  50     CT      C  -0.120
1584H8      25.416999817   15.538000107   48.354999542 R50  50     HC      H   0.060
1585H9      25.368000031   14.710000038   49.894001007 R50  50     HC      H   0.060
1586C5      26.270000458   16.659000397   49.977001190 R50  50     CT      C  -0.120
1587H10     26.104999542   16.775999069   51.027000427 R50  50     HC      H   0.060
1588H11     26.152999878   17.603000641   49.488998413 R50  50     HC      H   0.060
1589C6      27.697000504   16.131000519   49.737998962 R50  50     CT      C  -0.120
1590H12     27.864000320   16.013999939   48.687999725 R50  50     HC      H   0.060
1591H13     27.813999176   15.185999870   50.226001740 R50  50     HC      H   0.060
1592C7      28.715999603   17.134000778   50.310001373 R50  50     CT      C  -0.120
1593H14     28.551000595   17.250999451   51.360000610 R50  50     HC      H   0.060
1594H15     28.599000931   18.079000473   49.823001862 R50  50     HC      H   0.060
1595C8      30.143999100   16.607000351   50.071998596 R50  50     CT      C  -0.120
1596H16     30.309999466   16.489999771   49.020999908 R50  50     HC      H   0.060
1597H17     30.260999680   15.663000107   50.560001373 R50  50     HC      H   0.060
1598C9      31.163000107   17.610000610   50.644001007 R50  50     CT      C  -0.120
1599H18     30.997999191   17.728000641   51.694000244 R50  50     HC      H   0.060
1600H19     31.045999527   18.555999756   50.154998779 R50  50     HC      H   0.060
1601C10     32.590999603   17.083999634   50.404998779 R50  50     CT      C  -0.180
1602H20     32.756999969   16.965999603   49.354000092 R50  50     HC      H   0.060
1603H21     32.708999634   16.138999939   50.893001556 R50  50     HC      H   0.060
1604H22     33.298999786   17.781000137   50.801998138 R50  50     HC      H   0.060
1605C1      51.589000702   35.789001465   49.939998627 R51  51     CT      C  -0.180
1606H1      52.068000793   36.199001312   49.076999664 R51  51     HC      H   0.060
1607H2      52.140998840   36.055999756   50.817001343 R51  51     HC      H   0.060
1608H3      51.550998688   34.722999573   49.854000092 R51  51     HC      H   0.060
1609C2      50.155998230   36.345001221   50.044998169 R51  51     CT      C  -0.120
1610H4      49.604000092   36.076999664   49.168998718 R51  51     HC      H   0.060
1611H5      49.675998688   35.933998108   50.909000397 R51  51     HC      H   0.060
1612C3      50.210998535   37.879001617   50.169998169 R51  51     CT      C  -0.120
1613H6      50.689998627   38.290000916   49.305999756 R51  51     HC      H   0.060
1614H7      50.763000488   38.146999359   51.047000885 R51  51     HC      H   0.060
1615C4      48.778999329   38.437000275   50.276000977 R51  51     CT      C  -0.120
1616H8      48.298000336   38.025001526   51.138999939 R51  51     HC      H   0.060
1617H9      48.227001190   38.168998718   49.397998810 R51  51     HC      H   0.060
1618C5      48.833000183   39.971000671   50.400001526 R51  51     CT      C  -0.120
1619H10     49.312000275   40.381999969   49.535999298 R51  51     HC      H   0.060
1620H11     49.384998322   40.237998962   51.276000977 R51  51     HC      H   0.060
1621C6      47.401000977   40.527000427   50.505001068 R51  51     CT      C  -0.120
1622H12     46.919998169   40.117000580   51.368000031 R51  51     HC      H   0.060
1623H13     46.848999023   40.259998322   49.629001617 R51  51     HC      H   0.060
1624C7      47.455001831   42.061000824   50.629001617 R51  51     CT      C  -0.120
1625H14     47.933998108   42.472000122   49.765998840 R51  51     HC      H   0.060
1626H15     48.006999969   42.328998566   51.505001068 R51  51     HC      H   0.060
1627C8      46.022998810   42.618999481   50.734001160 R51  51     CT      C  -0.120
1628H16     45.541999817   42.208000183   51.597999573 R51  51     HC      H   0.060
1629H17     45.471000671   42.351001740   49.858001709 R51  51     HC      H   0.060
1630C9      46.076999664   44.152999878   50.858001709 R51  51     CT      C  -0.120
1631H18     46.556999207   44.563999176   49.994998932 R51  51     HC      H   0.060
1632H19     46.629001617   44.421001434   51.736000061 R51  51     HC      H   0.060
1633C10     44.645000458   44.709999084   50.965000153 R51  51     CT      C  -0.180
1634H20     44.165000916   44.298999786   51.827999115 R51  51     HC      H   0.060
1635H21     44.092998505   44.443000793   50.087001801 R51  51     HC      H   0.060
1636H22     44.682998657   45.776000977   51.050998688 R51  51     HC      H   0.060
1637C1      50.665000916   48.472999573   30.684999466 R52  52     CT      C  -0.180
1638H1      51.155998230   48.636001587   29.747999191 R52  52     HC      H   0.060
1639H2      51.155998230   47.681999207   31.211999893 R52  52     HC      H   0.060
1640H3      49.644001007   48.203998566   30.510000229 R52  52     HC      H   0.060
1641C2      50.719001770   49.762001038   31.524999619 R52  52     CT      C  -0.120
1642H4      50.228000641   50.553001404   30.996999741 R52  52     HC      H   0.060
1643H5      50.228000641   49.598999023   32.460998535 R52  52     HC      H   0.060
1644C3      52.188999176   50.147998810   31.777000427 R52  52     CT      C  -0.120
1645H6      52.680000305   50.312000275   30.840999603 R52  52     HC      H   0.060
1646H7      52.680000305   49.356998444   32.305000305 R52  52     HC      H   0.060
1647C4      52.243999481   51.437000275   32.618000031 R52  52     CT      C  -0.120
1648H8      51.751998901   51.273998260   33.554000854 R52  52     HC      H   0.060
1649H9      51.752998352   52.228000641   32.090000153 R52  52     HC      H   0.060
1650C5      53.713001251   51.823001862   32.869998932 R52  52     CT      C  -0.120
1651H10     54.205001831   51.986999512   31.934000015 R52  52     HC      H   0.060
1652H11     54.205001831   51.033000946   33.396999359 R52  52     HC      H   0.060
1653C6      53.768001556   53.112998962   33.709999084 R52  52     CT      C  -0.120
1654H12     53.277000427   52.950000763   34.646999359 R52  52     HC      H   0.060
1655H13     53.277000427   53.902999878   33.182998657 R52  52     HC      H   0.060
1656C7      55.236999512   53.499000549   33.962001801 R52  52     CT      C  -0.120
1657H14     55.729000092   53.662998199   33.026000977 R52  52     HC      H   0.060
1658H15     55.728000641   52.708000183   34.488998413 R52  52     HC      H   0.060
1659C8      55.291999817   54.789001465   34.801998138 R52  52     CT      C  -0.120
1660H16     54.800998688   54.625999451   35.738998413 R52  52     HC      H   0.060
1661H17     54.800998688   55.578998566   34.275001526 R52  52     HC      H   0.060
1662C9      56.762001038   55.174999237   35.054000854 R52  52     CT      C  -0.120
1663H18     57.252998352   55.339000702   34.118000031 R52  52     HC      H   0.060
1664H19     57.252998352   54.383998871   35.582000732 R52  52     HC      H   0.060
1665C10     56.817001343   56.464000702   35.895000458 R52  52     CT      C  -0.180
1666H20     56.325000763   56.300998688   36.832000732 R52  52     HC      H   0.060
1667H21     56.326000214   57.255001068   35.367000580 R52  52     HC      H   0.060
1668H22     57.838001251   56.731998444   36.069999695 R52  52     HC      H   0.060
1669C1      25.746999741   62.506000519   58.058998108 R53  53     CT      C  -0.180
1670H1      25.002000809   62.611000061   58.819000244 R53  53     HC      H   0.060
1671H2      25.375999451   62.902000427   57.137001038 R53  53     HC      H   0.060
1672H3      25.985000610   61.471000671   57.932998657 R53  53     HC      H   0.060
1673C2      27.014999390   63.275001526   58.474998474 R53  53     CT      C  -0.120
1674H4      27.385999680   62.880001068   59.396999359 R53  53     HC      H   0.060
1675H5      27.761999130   63.169998169   57.715999603 R53  53     HC      H   0.060
1676C3      26.673999786   64.765998840   58.655998230 R53  53     CT      C  -0.120
1677H6      25.927999496   64.872001648   59.416000366 R53  53     HC      H   0.060
1678H7      26.302999496   65.162002563   57.733001709 R53  53     HC      H   0.060
1679C4      27.941999435   65.536003113   59.070999146 R53  53     CT      C  -0.120
1680H8      28.688999176   65.430999756   58.312000275 R53  53     HC      H   0.060
1681H9      28.312999725   65.140998840   59.993999481 R53  53     HC      H   0.060
1682C5      27.600999832   67.027000427   59.252998352 R53  53     CT      C  -0.120
1683H10     26.854999542   67.133003235   60.012001038 R53  53     HC      H   0.060
1684H11     27.229999542   67.422996521   58.331001282 R53  53     HC      H   0.060
1685C6      28.868999481   67.795997620   59.667999268 R53  53     CT      C  -0.120
1686H12     29.614999771   67.692001343   58.909000397 R53  53     HC      H   0.060
1687H13     29.239999771   67.401000977   60.590000153 R53  53     HC      H   0.060
1688C7      28.527000427   69.287002563   59.849998474 R53  53     CT      C  -0.120
1689H14     27.781999588   69.392997742   60.609001160 R53  53     HC      H   0.060
1690H15     28.156000137   69.682998657   58.928001404 R53  53     HC      H   0.060
1691C8      29.795000076   70.056999207   60.265998840 R53  53     CT      C  -0.120
1692H16     30.541999817   69.950996399   59.506000519 R53  53     HC      H   0.060
1693H17     30.166000366   69.661003113   61.187999725 R53  53     HC      H   0.060
1694C9      29.454000473   71.547996521   60.446998596 R53  53     CT      C  -0.120
1695H18     28.708000183   71.652999878   61.206001282 R53  53     HC      H   0.060
1696H19     29.083000183   71.944000244   59.523998260 R53  53     HC      H   0.060
1697C10     30.722000122   72.318000793   60.861999512 R53  53     CT      C  -0.180
1698H20     31.468000412   72.211997986   60.103000641 R53  53     HC      H   0.060
1699H21     31.091999054   71.921997070   61.784999847 R53  53     HC      H   0.060
1700H22     30.483999252   73.353996277   60.987998962 R53  53     HC      H   0.060
1701C1      59.730998993   64.929000854   31.243000031 R54  54     CT      C  -0.180
1702H1      59.354999542   65.897003174   31.499000549 R54  54     HC      H   0.060
1703H2      60.118000031   64.948997498   30.246000290 R54  54     HC      H   0.060
1704H3      58.938999176   64.211997986   31.304000854 R54  54     HC      H   0.060
1705C2      60.853000641   64.538002014   32.222999573 R54  54     CT      C  -0.120
1706H4      60.465000153   64.517997742   33.219001770 R54  54     HC      H   0.060
1707H5      61.228000641   63.569000244   31.966999054 R54  54     HC      H   0.060
1708C3      61.992000580   65.569000244   32.134998322 R54  54     CT      C  -0.120
1709H6      61.618000031   66.538002014   32.390998840 R54  54     HC      H   0.060
1710H7      62.381000519   65.588996887   31.138000488 R54  54     HC      H   0.060
1711C4      63.116001129   65.178001404   33.113998413 R54  54     CT      C  -0.120
1712H8      63.491001129   64.208999634   32.858001709 R54  54     HC      H   0.060
1713H9      62.727001190   65.158996582   34.111999512 R54  54     HC      H   0.060
1714C5      64.254997253   66.209999084   33.027000427 R54  54     CT      C  -0.120
1715H10     63.881000519   67.179000854   33.283000946 R54  54     HC      H   0.060
1716H11     64.642997742   66.230003357   32.029998779 R54  54     HC      H   0.060
1717C6      65.376998901   65.819000244   34.006000519 R54  54     CT      C  -0.120
1718H12     65.752998352   64.849998474   33.750999451 R54  54     HC      H   0.060
1719H13     64.989997864   65.799003601   35.002998352 R54  54     HC      H   0.060
1720C7      66.516998291   66.849998474   33.918998718 R54  54     CT      C  -0.120
1721H14     66.141998291   67.819000244   34.174999237 R54  54     HC      H   0.060
1722H15     66.904998779   66.870002747   32.922000885 R54  54     HC      H   0.060
1723C8      67.639999390   66.459999084   34.898998260 R54  54     CT      C  -0.120
1724H16     68.014999390   65.490997314   34.643001556 R54  54     HC      H   0.060
1725H17     67.251998901   66.440002441   35.895999908 R54  54     HC      H   0.060
1726C9      68.779998779   67.490997314   34.811000824 R54  54     CT      C  -0.120
1727H18     68.404998779   68.459999084   35.068000793 R54  54     HC      H   0.060
1728H19     69.167999268   67.511001587   33.813999176 R54  54     HC      H   0.060
1729C10     69.902999878   67.099998474   35.790000916 R54  54     CT      C  -0.180
1730H20     70.277999878   66.130996704   35.534999847 R54  54     HC      H   0.060
1731H21     69.514999390   67.081001282   36.787998199 R54  54     HC      H   0.060
1732H22     70.694999695   67.817001343   35.729999542 R54  54     HC      H   0.060
1733C1      74.906997681   16.143999100   58.212001801 R55  55     CT      C  -0.180
1734H1      75.010002136   16.961999893   58.894001007 R55  55     HC      H   0.060
1735H2      75.744003296   15.486000061   58.312999725 R55  55     HC      H   0.060
1736H3      74.864997864   16.517999649   57.210998535 R55  55     HC      H   0.060
1737C2      73.609001160   15.376000404   58.526000977 R55  55     CT      C  -0.120
1738H4      72.772003174   16.034000397   58.425998688 R55  55     HC      H   0.060
1739H5      73.503997803   14.557999611   57.844001770 R55  55     HC      H   0.060
1740C3      73.668998718   14.838000298   59.967998505 R55  55     CT      C  -0.120
1741H6      73.773002625   15.654999733   60.650001526 R55  55     HC      H   0.060
1742H7      74.507003784   14.178999901   60.069000244 R55  55     HC      H   0.060
1743C4      72.372001648   14.067999840   60.283000946 R55  55     CT      C  -0.120
1744H8      72.266998291   13.250000000   59.601001740 R55  55     HC      H   0.060
1745H9      71.533996582   14.727000237   60.181999207 R55  55     HC      H   0.060
1746C5      72.431999207   13.529999733   61.724998474 R55  55     CT      C  -0.120
1747H10     72.536003113   14.347000122   62.407001495 R55  55     HC      H   0.060
1748H11     73.268997192   12.871999741   61.825000763 R55  55     HC      H   0.060
1749C6      71.134002686   12.762000084   62.039001465 R55  55     CT      C  -0.120
1750H12     71.029998779   11.942999840   61.356998444 R55  55     HC      H   0.060
1751H13     70.296997070   13.418999672   61.937999725 R55  55     HC      H   0.060
1752C7      71.194000244   12.222999573   63.479999542 R55  55     CT      C  -0.120
1753H14     71.297996521   13.041000366   64.163002014 R55  55     HC      H   0.060
1754H15     72.030998230   11.565999985   63.581001282 R55  55     HC      H   0.060
1755C8      69.897003174   11.454999924   63.796001434 R55  55     CT      C  -0.120
1756H16     69.791999817   10.637000084   63.112998962 R55  55     HC      H   0.060
1757H17     69.058998108   12.112000465   63.694999695 R55  55     HC      H   0.060
1758C9      69.956001282   10.916999817   65.236999512 R55  55     CT      C  -0.120
1759H18     70.059997559   11.734000206   65.918998718 R55  55     HC      H   0.060
1760H19     70.793998718   10.258000374   65.337997437 R55  55     HC      H   0.060
1761C10     68.658996582   10.147000313   65.552001953 R55  55     CT      C  -0.180
1762H20     68.555000305    9.329000473   64.870002747 R55  55     HC      H   0.060
1763H21     67.821998596   10.805999756   65.450996399 R55  55     HC      H   0.060
1764H22     68.700996399    9.772999763   66.554000854 R55  55     HC      H   0.060
1765C1      14.845000267   72.796997070   46.861000061 R56  56     CT      C  -0.180
1766H1      15.413000107   72.387001038   47.668998718 R56  56     HC      H   0.060
1767H2      15.401000023   73.583000183   46.395000458 R56  56     HC      H   0.060
1768H3      13.923000336   73.188003540   47.236999512 R56  56     HC      H   0.060
1769C2      14.550000191   71.694000244   45.827999115 R56  56     CT      C  -0.120
1770H4      13.993000031   70.907997131   46.294998169 R56  56     HC      H   0.060
1771H5      13.979999542   72.103996277   45.020999908 R56  56     HC      H   0.060
1772C3      15.876999855   71.130996704   45.286998749 R56  56     CT      C  -0.120
1773H6      16.447000504   70.721000671   46.094001770 R56  56     HC      H   0.060
1774H7      16.434000015   71.916999817   44.819999695 R56  56     HC      H   0.060
1775C4      15.583000183   70.027999878   44.252998352 R56  56     CT      C  -0.120
1776H8      15.012999535   70.438003540   43.444999695 R56  56     HC      H   0.060
1777H9      15.027000427   69.240997314   44.720001221 R56  56     HC      H   0.060
1778C5      16.910999298   69.464996338   43.710998535 R56  56     CT      C  -0.120
1779H10     17.479999542   69.054000854   44.518001556 R56  56     HC      H   0.060
1780H11     17.466999054   70.250000000   43.244998932 R56  56     HC      H   0.060
1781C6      16.615999222   68.361000061   42.678001404 R56  56     CT      C  -0.120
1782H12     16.047000885   68.771003723   41.869998932 R56  56     HC      H   0.060
1783H13     16.059000015   67.575996399   43.145000458 R56  56     HC      H   0.060
1784C7      17.943000793   67.799003601   42.137001038 R56  56     CT      C  -0.120
1785H14     18.513000488   67.388000488   42.944000244 R56  56     HC      H   0.060
1786H15     18.500000000   68.583999634   41.671001434 R56  56     HC      H   0.060
1787C8      17.649000168   66.694000244   41.104000092 R56  56     CT      C  -0.120
1788H16     17.079000473   67.103996277   40.296001434 R56  56     HC      H   0.060
1789H17     17.093000412   65.908996582   41.569999695 R56  56     HC      H   0.060
1790C9      18.976999283   66.132003784   40.562000275 R56  56     CT      C  -0.120
1791H18     19.545999527   65.721000671   41.368999481 R56  56     HC      H   0.060
1792H19     19.533000946   66.917999268   40.095001221 R56  56     HC      H   0.060
1793C10     18.683000565   65.027999878   39.527999878 R56  56     CT      C  -0.180
1794H20     18.113000870   65.438003540   38.720001221 R56  56     HC      H   0.060
1795H21     18.125999451   64.241996765   39.994998932 R56  56     HC      H   0.060
1796H22     19.604999542   64.637001038   39.152000427 R56  56     HC      H   0.060
1797C1      26.599000931   58.984001160   21.566999435 R57  57     CT      C  -0.180
1798H1      25.854999542   59.451000214   22.177999496 R57  57     HC      H   0.060
1799H2      26.531000137   59.363998413   20.569999695 R57  57     HC      H   0.060
1800H3      26.438999176   57.925998688   21.558000565 R57  57     HC      H   0.060
1801C2      27.996000290   59.285999298   22.138999939 R57  57     CT      C  -0.120
1802H4      28.063999176   58.907001495   23.136999130 R57  57     HC      H   0.060
1803H5      28.740999222   58.818000793   21.527999878 R57  57     HC      H   0.060
1804C3      28.226999283   60.808998108   22.152000427 R57  57     CT      C  -0.120
1805H6      27.482999802   61.277000427   22.763000488 R57  57     HC      H   0.060
1806H7      28.159999847   61.188999176   21.153999329 R57  57     HC      H   0.060
1807C4      29.625000000   61.111999512   22.722999573 R57  57     CT      C  -0.120
1808H8      30.368999481   60.644001007   22.113000870 R57  57     HC      H   0.060
1809H9      29.691999435   60.731998444   23.722000122 R57  57     HC      H   0.060
1810C5      29.854999542   62.634998322   22.736000061 R57  57     CT      C  -0.120
1811H10     29.111999512   63.102001190   23.347000122 R57  57     HC      H   0.060
1812H11     29.788000107   63.013999939   21.739000320 R57  57     HC      H   0.060
1813C6      31.253000259   62.936000824   23.308000565 R57  57     CT      C  -0.120
1814H12     31.996999741   62.469001770   22.697999954 R57  57     HC      H   0.060
1815H13     31.319999695   62.556999207   24.305999756 R57  57     HC      H   0.060
1816C7      31.482999802   64.458999634   23.320999146 R57  57     CT      C  -0.120
1817H14     30.739999771   64.927001953   23.931999207 R57  57     HC      H   0.060
1818H15     31.416000366   64.838996887   22.323999405 R57  57     HC      H   0.060
1819C8      32.881000519   64.762001038   23.892999649 R57  57     CT      C  -0.120
1820H16     33.625000000   64.293998718   23.283000946 R57  57     HC      H   0.060
1821H17     32.948001862   64.382003784   24.891000748 R57  57     HC      H   0.060
1822C9      33.111000061   66.285003662   23.906000137 R57  57     CT      C  -0.120
1823H18     32.368000031   66.752998352   24.517000198 R57  57     HC      H   0.060
1824H19     33.043998718   66.664001465   22.908000946 R57  57     HC      H   0.060
1825C10     34.509998322   66.587997437   24.476999283 R57  57     CT      C  -0.180
1826H20     35.254001617   66.120002747   23.867000580 R57  57     HC      H   0.060
1827H21     34.576000214   66.208000183   25.475999832 R57  57     HC      H   0.060
1828H22     34.668998718   67.646003723   24.486000061 R57  57     HC      H   0.060
1829C1      77.933998108   31.572000504   29.542999268 R58  58     CT      C  -0.180
1830H1      77.700996399   32.554000854   29.188999176 R58  58     HC      H   0.060
1831H2      78.834999084   31.604999542   30.118000031 R58  58     HC      H   0.060
1832H3      78.067001343   30.915000916   28.708999634 R58  58     HC      H   0.060
1833C2      76.780998230   31.055999756   30.423000336 R58  58     CT      C  -0.120
1834H4      75.879997253   31.023000717   29.847999573 R58  58     HC      H   0.060
1835H5      77.013999939   30.072999954   30.775999069 R58  58     HC      H   0.060
1836C3      76.589996338   32.000999451   31.624000549 R58  58     CT      C  -0.120
1837H6      76.357002258   32.983001709   31.271999359 R58  58     HC      H   0.060
1838H7      77.491996765   32.033000946   32.200000763 R58  58     HC      H   0.060
1839C4      75.438003540   31.483999252   32.506000519 R58  58     CT      C  -0.120
1840H8      75.670997620   30.500999451   32.859001160 R58  58     HC      H   0.060
1841H9      74.536003113   31.452999115   31.930000305 R58  58     HC      H   0.060
1842C5      75.247001648   32.429000854   33.707000732 R58  58     CT      C  -0.120
1843H10     75.013000488   33.411998749   33.354000092 R58  58     HC      H   0.060
1844H11     76.148002625   32.462001801   34.282001495 R58  58     HC      H   0.060
1845C6      74.094001770   31.913000107   34.587001801 R58  58     CT      C  -0.120
1846H12     74.327003479   30.930000305   34.941001892 R58  58     HC      H   0.060
1847H13     73.193000793   31.879999161   34.012001038 R58  58     HC      H   0.060
1848C7      73.902999878   32.858001709   35.787998199 R58  58     CT      C  -0.120
1849H14     73.668998718   33.840000153   35.436000824 R58  58     HC      H   0.060
1850H15     74.804000854   32.889999390   36.363998413 R58  58     HC      H   0.060
1851C8      72.750000000   32.341999054   36.669998169 R58  58     CT      C  -0.120
1852H16     72.983001709   31.358999252   37.022998810 R58  58     HC      H   0.060
1853H17     71.848999023   32.310001373   36.094001770 R58  58     HC      H   0.060
1854C9      72.558998108   33.286998749   37.870998383 R58  58     CT      C  -0.120
1855H18     72.324996948   34.269001007   37.518001556 R58  58     HC      H   0.060
1856H19     73.460998535   33.319000244   38.445999146 R58  58     HC      H   0.060
1857C10     71.405998230   32.770000458   38.751998901 R58  58     CT      C  -0.180
1858H20     71.638999939   31.787000656   39.104999542 R58  58     HC      H   0.060
1859H21     70.503997803   32.738998413   38.176998138 R58  58     HC      H   0.060
1860H22     71.274002075   33.426998138   39.587001801 R58  58     HC      H   0.060
1861C1      63.180000305   41.269001007   29.048999786 R59  59     CT      C  -0.180
1862H1      62.324001312   41.129001617   28.423000336 R59  59     HC      H   0.060
1863H2      63.824001312   42.005001068   28.614999771 R59  59     HC      H   0.060
1864H3      63.708000183   40.342998505   29.142000198 R59  59     HC      H   0.060
1865C2      62.724998474   41.742000580   30.441999435 R59  59     CT      C  -0.120
1866H4      62.082000732   41.006000519   30.875999451 R59  59     HC      H   0.060
1867H5      63.582000732   41.881000519   31.069000244 R59  59     HC      H   0.060
1868C3      61.965000153   43.075000763   30.308000565 R59  59     CT      C  -0.120
1869H6      61.109001160   42.936000824   29.681999207 R59  59     HC      H   0.060
1870H7      62.610000610   43.811000824   29.874000549 R59  59     HC      H   0.060
1871C4      61.511001587   43.548999786   31.701999664 R59  59     CT      C  -0.120
1872H8      62.367000580   43.687999725   32.327999115 R59  59     HC      H   0.060
1873H9      60.866001129   42.812999725   32.134998322 R59  59     HC      H   0.060
1874C5      60.750999451   44.881999969   31.568000793 R59  59     CT      C  -0.120
1875H10     59.895000458   44.743000031   30.941999435 R59  59     HC      H   0.060
1876H11     61.395000458   45.617000580   31.134000778 R59  59     HC      H   0.060
1877C6      60.296001434   45.354999542   32.960998535 R59  59     CT      C  -0.120
1878H12     61.152000427   45.493999481   33.588001251 R59  59     HC      H   0.060
1879H13     59.652999878   44.618999481   33.395000458 R59  59     HC      H   0.060
1880C7      59.535999298   46.687000275   32.826999664 R59  59     CT      C  -0.120
1881H14     58.680000305   46.548000336   32.201000214 R59  59     HC      H   0.060
1882H15     60.180000305   47.423000336   32.393001556 R59  59     HC      H   0.060
1883C8      59.081001282   47.160999298   34.220001221 R59  59     CT      C  -0.120
1884H16     59.937000275   47.299999237   34.847000122 R59  59     HC      H   0.060
1885H17     58.437000275   46.424999237   34.653999329 R59  59     HC      H   0.060
1886C9      58.320999146   48.493999481   34.085998535 R59  59     CT      C  -0.120
1887H18     57.465000153   48.354999542   33.459999084 R59  59     HC      H   0.060
1888H19     58.965999603   49.229999542   33.652000427 R59  59     HC      H   0.060
1889C10     57.867000580   48.967998505   35.479999542 R59  59     CT      C  -0.180
1890H20     58.722999573   49.106998444   36.106998444 R59  59     HC      H   0.060
1891H21     57.222000122   48.231998444   35.914001465 R59  59     HC      H   0.060
1892H22     57.339000702   49.894001007   35.386001587 R59  59     HC      H   0.060
1893C1      44.259998322    7.271999836   45.708999634 R60  60     CT      C  -0.180
1894H1      43.673999786    7.611999989   44.881999969 R60  60     HC      H   0.060
1895H2      44.769001007    6.370999813   45.439998627 R60  60     HC      H   0.060
1896H3      43.619998932    7.083000183   46.546001434 R60  60     HC      H   0.060
1897C2      45.291000366    8.350999832   46.087001801 R60  60     CT      C  -0.120
1898H4      44.782001495    9.253000259   46.355998993 R60  60     HC      H   0.060
1899H5      45.876998901    8.010999680   46.915000916 R60  60     HC      H   0.060
1900C3      46.213001251    8.623000145   44.882999420 R60  60     CT      C  -0.120
1901H6      45.626998901    8.963000298   44.055000305 R60  60     HC      H   0.060
1902H7      46.722999573    7.721000195   44.612998962 R60  60     HC      H   0.060
1903C4      47.245998383    9.701999664   45.259998322 R60  60     CT      C  -0.120
1904H8      47.831001282    9.362000465   46.088001251 R60  60     HC      H   0.060
1905H9      46.736000061   10.604000092   45.528999329 R60  60     HC      H   0.060
1906C5      48.166999817    9.972999573   44.055999756 R60  60     CT      C  -0.120
1907H10     47.582000732   10.312999725   43.228000641 R60  60     HC      H   0.060
1908H11     48.675998688    9.071999550   43.785999298 R60  60     HC      H   0.060
1909C6      49.199001312   11.052000046   44.432998657 R60  60     CT      C  -0.120
1910H12     49.784999847   10.713000298   45.261001587 R60  60     HC      H   0.060
1911H13     48.688999176   11.954000473   44.702999115 R60  60     HC      H   0.060
1912C7      50.119998932   11.324000359   43.229000092 R60  60     CT      C  -0.120
1913H14     49.534999847   11.663999557   42.401000977 R60  60     HC      H   0.060
1914H15     50.629001617   10.421999931   42.959999084 R60  60     HC      H   0.060
1915C8      51.152000427   12.402999878   43.605998993 R60  60     CT      C  -0.120
1916H16     51.737998962   12.062999725   44.433998108 R60  60     HC      H   0.060
1917H17     50.643001556   13.305000305   43.875000000 R60  60     HC      H   0.060
1918C9      52.074001312   12.675000191   42.402000427 R60  60     CT      C  -0.120
1919H18     51.487998962   13.015000343   41.574001312 R60  60     HC      H   0.060
1920H19     52.583000183   11.772999763   42.132999420 R60  60     HC      H   0.060
1921C10     53.105998993   13.753999710   42.778999329 R60  60     CT      C  -0.180
1922H20     53.692001343   13.413999557   43.606998444 R60  60     HC      H   0.060
1923H21     52.597000122   14.656000137   43.048000336 R60  60     HC      H   0.060
1924H22     53.745998383   13.942000389   41.942001343 R60  60     HC      H   0.060
1925C1      37.273998260   75.587997437   31.549999237 R61  61     CT      C  -0.180
1926H1      37.562000275   74.737998962   30.969999313 R61  61     HC      H   0.060
1927H2      37.058998108   75.280998230   32.551998138 R61  61     HC      H   0.060
1928H3      36.402000427   76.035003662   31.120000839 R61  61     HC      H   0.060
1929C2      38.422000885   76.614997864   31.562999725 R61  61     CT      C  -0.120
1930H4      38.637001038   76.921997070   30.561000824 R61  61     HC      H   0.060
1931H5      38.133998871   77.466003418   32.143001556 R61  61     HC      H   0.060
1932C3      39.676998138   75.972000122   32.182998657 R61  61     CT      C  -0.120
1933H6      39.965999603   75.121002197   31.601999283 R61  61     HC      H   0.060
1934H7      39.462001801   75.665000916   33.185001373 R61  61     HC      H   0.060
1935C4      40.826000214   76.998001099   32.195999146 R61  61     CT      C  -0.120
1936H8      40.536998749   77.849998474   32.776000977 R61  61     HC      H   0.060
1937H9      41.041000366   77.305000305   31.194000244 R61  61     HC      H   0.060
1938C5      42.081001282   76.355003357   32.816001892 R61  61     CT      C  -0.120
1939H10     42.369998932   75.504997253   32.236000061 R61  61     HC      H   0.060
1940H11     41.866001129   76.047996521   33.818000793 R61  61     HC      H   0.060
1941C6      43.229000092   77.382003784   32.827999115 R61  61     CT      C  -0.120
1942H12     42.941001892   78.233001709   33.409000397 R61  61     HC      H   0.060
1943H13     43.443000793   77.689002991   31.826999664 R61  61     HC      H   0.060
1944C7      44.484001160   76.738998413   33.448001862 R61  61     CT      C  -0.120
1945H14     44.772998810   75.888000488   32.868000031 R61  61     HC      H   0.060
1946H15     44.269001007   76.431999207   34.450000763 R61  61     HC      H   0.060
1947C8      45.632999420   77.764999390   33.460998535 R61  61     CT      C  -0.120
1948H16     45.344001770   78.615997314   34.041000366 R61  61     HC      H   0.060
1949H17     45.847000122   78.071998596   32.458999634 R61  61     HC      H   0.060
1950C9      46.888000488   77.122001648   34.081001282 R61  61     CT      C  -0.120
1951H18     47.176998138   76.271003723   33.500000000 R61  61     HC      H   0.060
1952H19     46.673000336   76.815002441   35.083999634 R61  61     HC      H   0.060
1953C10     48.036998749   78.148002625   34.094001770 R61  61     CT      C  -0.180
1954H20     47.748001099   79.000000000   34.674999237 R61  61     HC      H   0.060
1955H21     48.250999451   78.455001831   33.091999054 R61  61     HC      H   0.060
1956H22     48.908000946   77.702003479   34.525001526 R61  61     HC      H   0.060
1957C1      70.427001953   44.090000153   32.025001526 R62  62     CT      C  -0.180
1958H1      69.814002991   44.126998901   31.149999619 R62  62     HC      H   0.060
1959H2      69.808998108   44.129001617   32.896999359 R62  62     HC      H   0.060
1960H3      71.097999573   44.923999786   32.026000977 R62  62     HC      H   0.060
1961C2      71.237998962   42.779998779   32.028999329 R62  62     CT      C  -0.120
1962H4      71.857002258   42.741001129   31.156999588 R62  62     HC      H   0.060
1963H5      71.852996826   42.743999481   32.903999329 R62  62     HC      H   0.060
1964C3      70.273002625   41.580001831   32.027999878 R62  62     CT      C  -0.120
1965H6      69.658996582   41.616001129   31.152999878 R62  62     HC      H   0.060
1966H7      69.654998779   41.618999481   32.901000977 R62  62     HC      H   0.060
1967C4      71.083000183   40.270000458   32.033000946 R62  62     CT      C  -0.120
1968H8      71.697998047   40.233001709   32.908000946 R62  62     HC      H   0.060
1969H9      71.702003479   40.230998993   31.159999847 R62  62     HC      H   0.060
1970C5      70.119003296   39.069999695   32.032001495 R62  62     CT      C  -0.120
1971H10     69.504997253   39.105998993   31.156999588 R62  62     HC      H   0.060
1972H11     69.500000000   39.109001160   32.903999329 R62  62     HC      H   0.060
1973C6      70.929000854   37.759998322   32.035999298 R62  62     CT      C  -0.120
1974H12     71.542999268   37.722999573   32.910999298 R62  62     HC      H   0.060
1975H13     71.547996521   37.721000671   31.163999557 R62  62     HC      H   0.060
1976C7      69.963996887   36.560001373   32.034999847 R62  62     CT      C  -0.120
1977H14     69.350997925   36.596000671   31.159999847 R62  62     HC      H   0.060
1978H15     69.346000671   36.598999023   32.907001495 R62  62     HC      H   0.060
1979C8      70.775001526   35.250000000   32.039001465 R62  62     CT      C  -0.120
1980H16     71.388999939   35.213001251   32.915000916 R62  62     HC      H   0.060
1981H17     71.392997742   35.210998535   31.167999268 R62  62     HC      H   0.060
1982C9      69.809997559   34.049999237   32.037998199 R62  62     CT      C  -0.120
1983H18     69.195999146   34.085998535   31.163000107 R62  62     HC      H   0.060
1984H19     69.191001892   34.089000702   32.910999298 R62  62     HC      H   0.060
1985C10     70.620002747   32.740001678   32.042999268 R62  62     CT      C  -0.180
1986H20     71.234001160   32.702999115   32.918998718 R62  62     HC      H   0.060
1987H21     71.238998413   32.700000763   31.170999527 R62  62     HC      H   0.060
1988H22     69.948997498   31.906000137   32.042999268 R62  62     HC      H   0.060
1989C1      60.741001129   76.519996643   37.936000824 R63  63     CT      C  -0.180
1990H1      60.493999481   76.065002441   37.000000000 R63  63     HC      H   0.060
1991H2      60.076000214   76.162002563   38.693000793 R63  63     HC      H   0.060
1992H3      60.646999359   77.583000183   37.851001740 R63  63     HC      H   0.060
1993C2      62.189998627   76.162002563   38.313999176 R63  63     CT      C  -0.120
1994H4      62.854999542   76.519996643   37.555999756 R63  63     HC      H   0.060
1995H5      62.437999725   76.617996216   39.250000000 R63  63     HC      H   0.060
1996C3      62.325000763   74.633003235   38.436000824 R63  63     CT      C  -0.120
1997H6      62.077999115   74.177001953   37.500000000 R63  63     HC      H   0.060
1998H7      61.659999847   74.275001526   39.194000244 R63  63     HC      H   0.060
1999C4      63.773998260   74.274002075   38.814998627 R63  63     CT      C  -0.120
2000H8      64.022003174   74.730003357   39.750999451 R63  63     HC      H   0.060
2001H9      64.440002441   74.630996704   38.055999756 R63  63     HC      H   0.060
2002C5      63.909000397   72.745002747   38.937000275 R63  63     CT      C  -0.120
2003H10     63.661998749   72.289001465   38.000999451 R63  63     HC      H   0.060
2004H11     63.243999481   72.387001038   39.694000244 R63  63     HC      H   0.060
2005C6      65.359001160   72.387001038   39.314998627 R63  63     CT      C  -0.120
2006H12     65.606002808   72.841003418   40.250999451 R63  63     HC      H   0.060
2007H13     66.024002075   72.744003296   38.556999207 R63  63     HC      H   0.060
2008C7      65.494003296   70.857002258   39.437000275 R63  63     CT      C  -0.120
2009H14     65.247001648   70.402000427   38.500999451 R63  63     HC      H   0.060
2010H15     64.828002930   70.500000000   40.194000244 R63  63     HC      H   0.060
2011C8      66.943000793   70.498001099   39.814998627 R63  63     CT      C  -0.120
2012H16     67.191001892   70.954002380   40.750999451 R63  63     HC      H   0.060
2013H17     67.608001709   70.856002808   39.056999207 R63  63     HC      H   0.060
2014C9      67.078002930   68.969001770   39.937000275 R63  63     CT      C  -0.120
2015H18     66.831001282   68.513000488   39.000999451 R63  63     HC      H   0.060
2016H19     66.413002014   68.611999512   40.694999695 R63  63     HC      H   0.060
2017C10     68.527000427   68.610000610   40.316001892 R63  63     CT      C  -0.180
2018H20     68.775001526   69.066001892   41.251998901 R63  63     HC      H   0.060
2019H21     69.193000793   68.968002319   39.556999207 R63  63     HC      H   0.060
2020H22     68.621002197   67.547996521   40.400001526 R63  63     HC      H   0.060
2021C1      47.751998901   21.204000473   43.104000092 R64  64     CT      C  -0.180
2022H1      48.407001495   21.038999557   42.275001526 R64  64     HC      H   0.060
2023H2      47.931999207   22.174999237   43.513999939 R64  64     HC      H   0.060
2024H3      47.930999756   20.461000443   43.853000641 R64  64     HC      H   0.060
2025C2      46.289001465   21.110000610   42.630001068 R64  64     CT      C  -0.120
2026H4      46.109001160   20.138999939   42.220001221 R64  64     HC      H   0.060
2027H5      45.633998871   21.274000168   43.459999084 R64  64     HC      H   0.060
2028C3      46.030998230   22.179000854   41.551998138 R64  64     CT      C  -0.120
2029H6      46.685001373   22.014999390   40.722000122 R64  64     HC      H   0.060
2030H7      46.210998535   23.150999069   41.963001251 R64  64     HC      H   0.060
2031C4      44.568000793   22.086999893   41.077999115 R64  64     CT      C  -0.120
2032H8      43.911998749   22.250999451   41.908000946 R64  64     HC      H   0.060
2033H9      44.388000488   21.114999771   40.666999817 R64  64     HC      H   0.060
2034C5      44.308998108   23.156000137   40.000000000 R64  64     CT      C  -0.120
2035H10     44.964000702   22.992000580   39.169998169 R64  64     HC      H   0.060
2036H11     44.490001678   24.127000809   40.410999298 R64  64     HC      H   0.060
2037C6      42.847000122   23.062999725   39.526000977 R64  64     CT      C  -0.120
2038H12     42.191001892   23.226999283   40.355998993 R64  64     HC      H   0.060
2039H13     42.666000366   22.091999054   39.116001129 R64  64     HC      H   0.060
2040C7      42.588001251   24.131999969   38.449001312 R64  64     CT      C  -0.120
2041H14     43.243000031   23.968000412   37.618999481 R64  64     HC      H   0.060
2042H15     42.769001007   25.103000641   38.859001160 R64  64     HC      H   0.060
2043C8      41.125999451   24.038999557   37.973999023 R64  64     CT      C  -0.120
2044H16     40.470001221   24.202999115   38.804000854 R64  64     HC      H   0.060
2045H17     40.944999695   23.068000793   37.563999176 R64  64     HC      H   0.060
2046C9      40.867000580   25.107999802   36.895999908 R64  64     CT      C  -0.120
2047H18     41.521999359   24.944000244   36.066001892 R64  64     HC      H   0.060
2048H19     41.047000885   26.079999924   37.306999207 R64  64     HC      H   0.060
2049C10     39.403999329   25.016000748   36.422000885 R64  64     CT      C  -0.180
2050H20     38.749000549   25.180000305   37.251998901 R64  64     HC      H   0.060
2051H21     39.223999023   24.044000626   36.011001587 R64  64     HC      H   0.060
2052H22     39.224998474   25.759000778   35.673000336 R64  64     HC      H   0.060
2053C1      38.997001648   49.764999390   14.315999985 R65  65     CT      C  -0.180
2054H1      38.551998138   49.377998352   15.208000183 R65  65     HC      H   0.060
2055H2      38.729999542   49.146999359   13.484999657 R65  65     HC      H   0.060
2056H3      40.062000275   49.776000977   14.425000191 R65  65     HC      H   0.060
2057C2      38.493000031   51.200000763   14.071000099 R65  65     CT      C  -0.120
2058H4      38.759998322   51.819000244   14.902000427 R65  65     HC      H   0.060
2059H5      38.938999176   51.588001251   13.178999901 R65  65     HC      H   0.060
2060C3      36.960998535   51.183998108   13.913999557 R65  65     CT      C  -0.120
2061H6      36.514999390   50.797000885   14.805000305 R65  65     HC      H   0.060
2062H7      36.694000244   50.564998627   13.081999779 R65  65     HC      H   0.060
2063C4      36.456001282   52.618999481   13.668000221 R65  65     CT      C  -0.120
2064H8      36.902000427   53.006999969   12.776000023 R65  65     HC      H   0.060
2065H9      36.722999573   53.236999512   14.500000000 R65  65     HC      H   0.060
2066C5      34.923999786   52.603000641   13.510999680 R65  65     CT      C  -0.120
2067H10     34.477001190   52.215999603   14.402000427 R65  65     HC      H   0.060
2068H11     34.657001495   51.984001160   12.680000305 R65  65     HC      H   0.060
2069C6      34.418998718   54.036998749   13.265999794 R65  65     CT      C  -0.120
2070H12     34.865001678   54.425998688   12.373999596 R65  65     HC      H   0.060
2071H13     34.686000824   54.655998230   14.095999718 R65  65     HC      H   0.060
2072C7      32.887001038   54.021999359   13.107999802 R65  65     CT      C  -0.120
2073H14     32.441001892   53.634998322   14.000000000 R65  65     HC      H   0.060
2074H15     32.619998932   53.402999878   12.277999878 R65  65     HC      H   0.060
2075C8      32.381999969   55.456001282   12.862999916 R65  65     CT      C  -0.120
2076H16     32.827999115   55.845001221   11.972000122 R65  65     HC      H   0.060
2077H17     32.648998260   56.075000763   13.694000244 R65  65     HC      H   0.060
2078C9      30.850000381   55.441001892   12.706000328 R65  65     CT      C  -0.120
2079H18     30.403999329   55.054000854   13.597999573 R65  65     HC      H   0.060
2080H19     30.583000183   54.821998596   11.873999596 R65  65     HC      H   0.060
2081C10     30.344999313   56.875000000   12.460000038 R65  65     CT      C  -0.180
2082H20     30.791000366   57.263000488   11.567999840 R65  65     HC      H   0.060
2083H21     30.611999512   57.493999481   13.291999817 R65  65     HC      H   0.060
2084H22     29.280000687   56.863998413   12.350999832 R65  65     HC      H   0.060
2085C1      24.346000671   66.746002197   31.724000931 R66  66     CT      C  -0.180
2086H1      23.825000763   65.816001892   31.635000229 R66  66     HC      H   0.060
2087H2      24.107000351   67.199996948   32.662998199 R66  66     HC      H   0.060
2088H3      24.052000046   67.397003174   30.927999496 R66  66     HC      H   0.060
2089C2      25.863000870   66.494003296   31.646999359 R66  66     CT      C  -0.120
2090H4      26.101999283   66.040000916   30.708000183 R66  66     HC      H   0.060
2091H5      26.384000778   67.424003601   31.735000610 R66  66     HC      H   0.060
2092C3      26.285999298   65.556999207   32.792999268 R66  66     CT      C  -0.120
2093H6      25.766000748   64.625999451   32.703998566 R66  66     HC      H   0.060
2094H7      26.048000336   66.011001587   33.731998444 R66  66     HC      H   0.060
2095C4      27.804000854   65.305000305   32.716999054 R66  66     CT      C  -0.120
2096H8      28.326000214   66.235000610   32.805000305 R66  66     HC      H   0.060
2097H9      28.042999268   64.849998474   31.777000427 R66  66     HC      H   0.060
2098C5      28.226999283   64.367996216   33.862998962 R66  66     CT      C  -0.120
2099H10     27.707000732   63.437000275   33.773998260 R66  66     HC      H   0.060
2100H11     27.989000320   64.821998596   34.800998688 R66  66     HC      H   0.060
2101C6      29.745000839   64.115997314   33.784999847 R66  66     CT      C  -0.120
2102H12     30.266000748   65.045997620   33.875000000 R66  66     HC      H   0.060
2103H13     29.982999802   63.661998749   32.847000122 R66  66     HC      H   0.060
2104C7      30.167999268   63.179000854   34.931999207 R66  66     CT      C  -0.120
2105H14     29.648000717   62.248001099   34.841999054 R66  66     HC      H   0.060
2106H15     29.929000854   63.632999420   35.869998932 R66  66     HC      H   0.060
2107C8      31.686000824   62.925998688   34.854000092 R66  66     CT      C  -0.120
2108H16     32.207000732   63.855998993   34.943000793 R66  66     HC      H   0.060
2109H17     31.923999786   62.472000122   33.916000366 R66  66     HC      H   0.060
2110C9      32.109001160   61.988998413   36.000999451 R66  66     CT      C  -0.120
2111H18     31.587999344   61.058998108   35.911998749 R66  66     HC      H   0.060
2112H19     31.870000839   62.444000244   36.939998627 R66  66     HC      H   0.060
2113C10     33.626998901   61.736999512   35.923999786 R66  66     CT      C  -0.180
2114H20     34.147998810   62.667999268   36.013000488 R66  66     HC      H   0.060
2115H21     33.865001678   61.282001495   34.985000610 R66  66     HC      H   0.060
2116H22     33.921001434   61.085998535   36.721000671 R66  66     HC      H   0.060
2117C1      67.704002380   53.366001129   53.840999603 R67  67     CT      C  -0.180
2118H1      67.699996948   52.741001129   54.708999634 R67  67     HC      H   0.060
2119H2      68.004997253   52.792999268   52.990001678 R67  67     HC      H   0.060
2120H3      68.389999390   54.173999786   53.987998962 R67  67     HC      H   0.060
2121C2      66.290000916   53.930000305   53.608001709 R67  67     CT      C  -0.120
2122H4      65.988998413   54.502998352   54.458999634 R67  67     HC      H   0.060
2123H5      66.294998169   54.556999207   52.740001678 R67  67     HC      H   0.060
2124C3      65.303001404   52.766998291   53.395999908 R67  67     CT      C  -0.120
2125H6      65.297996521   52.140998840   54.263000488 R67  67     HC      H   0.060
2126H7      65.603996277   52.194000244   52.542999268 R67  67     HC      H   0.060
2127C4      63.888999939   53.330001831   53.160999298 R67  67     CT      C  -0.120
2128H8      63.893001556   53.957000732   52.293998718 R67  67     HC      H   0.060
2129H9      63.588001251   53.902999878   54.013999939 R67  67     HC      H   0.060
2130C5      62.902000427   52.166999817   52.950000763 R67  67     CT      C  -0.120
2131H10     62.896999359   51.541000366   53.817001343 R67  67     HC      H   0.060
2132H11     63.202999115   51.594001770   52.097999573 R67  67     HC      H   0.060
2133C6      61.487998962   52.730998993   52.715999603 R67  67     CT      C  -0.120
2134H12     61.492000580   53.356998444   51.847999573 R67  67     HC      H   0.060
2135H13     61.187000275   53.304000854   53.568000793 R67  67     HC      H   0.060
2136C7      60.500999451   51.568000793   52.504001617 R67  67     CT      C  -0.120
2137H14     60.495998383   50.942001343   53.372001648 R67  67     HC      H   0.060
2138H15     60.801998138   50.994998932   51.652000427 R67  67     HC      H   0.060
2139C8      59.085998535   52.131000519   52.270000458 R67  67     CT      C  -0.120
2140H16     59.090999603   52.757999420   51.402999878 R67  67     HC      H   0.060
2141H17     58.784999847   52.703998566   53.122001648 R67  67     HC      H   0.060
2142C9      58.098999023   50.967998505   52.058998108 R67  67     CT      C  -0.120
2143H18     58.094001770   50.341999054   52.925998688 R67  67     HC      H   0.060
2144H19     58.400001526   50.395000458   51.206001282 R67  67     HC      H   0.060
2145C10     56.685001373   51.530998230   51.824001312 R67  67     CT      C  -0.180
2146H20     56.688999176   52.158000946   50.956001282 R67  67     HC      H   0.060
2147H21     56.383998871   52.104000092   52.676998138 R67  67     HC      H   0.060
2148H22     55.999000549   50.722999573   51.676998138 R67  67     HC      H   0.060
2149C1      58.351001740   38.817001343   32.334999084 R68  68     CT      C  -0.180
2150H1      58.436000824   37.772998810   32.548999786 R68  68     HC      H   0.060
2151H2      58.009998322   38.949001312   31.329999924 R68  68     HC      H   0.060
2152H3      59.305999756   39.284000397   32.451999664 R68  68     HC      H   0.060
2153C2      57.344001770   39.458999634   33.306999207 R68  68     CT      C  -0.120
2154H4      57.683998108   39.326999664   34.312999725 R68  68     HC      H   0.060
2155H5      57.257999420   40.505001068   33.094001770 R68  68     HC      H   0.060
2156C3      55.967998505   38.786998749   33.138999939 R68  68     CT      C  -0.120
2157H6      56.053001404   37.743000031   33.353000641 R68  68     HC      H   0.060
2158H7      55.626998901   38.919998169   32.132999420 R68  68     HC      H   0.060
2159C4      54.959999084   39.430000305   34.110000610 R68  68     CT      C  -0.120
2160H8      54.875000000   40.474998474   33.896999359 R68  68     HC      H   0.060
2161H9      55.300998688   39.297000885   35.116001129 R68  68     HC      H   0.060
2162C5      53.584999084   38.757999420   33.941001892 R68  68     CT      C  -0.120
2163H10     53.669998169   37.713001251   34.154998779 R68  68     HC      H   0.060
2164H11     53.243999481   38.889999390   32.936000824 R68  68     HC      H   0.060
2165C6      52.577999115   39.400001526   34.914001465 R68  68     CT      C  -0.120
2166H12     52.492000580   40.444999695   34.700000763 R68  68     HC      H   0.060
2167H13     52.917999268   39.268001556   35.918998718 R68  68     HC      H   0.060
2168C7      51.202999115   38.728000641   34.744998932 R68  68     CT      C  -0.120
2169H14     51.286998749   37.682998657   34.958999634 R68  68     HC      H   0.060
2170H15     50.861999512   38.860000610   33.740001678 R68  68     HC      H   0.060
2171C8      50.194999695   39.369998932   35.716999054 R68  68     CT      C  -0.120
2172H16     50.110000610   40.415000916   35.504001617 R68  68     HC      H   0.060
2173H17     50.534999847   39.237998962   36.722000122 R68  68     HC      H   0.060
2174C9      48.819000244   38.698001862   35.548000336 R68  68     CT      C  -0.120
2175H18     48.903999329   37.652999878   35.762001038 R68  68     HC      H   0.060
2176H19     48.478000641   38.830001831   34.541999817 R68  68     HC      H   0.060
2177C10     47.811000824   39.340999603   36.520000458 R68  68     CT      C  -0.180
2178H20     47.726001740   40.386001587   36.305999756 R68  68     HC      H   0.060
2179H21     48.152000427   39.208000183   37.526000977 R68  68     HC      H   0.060
2180H22     46.855998993   38.873001099   36.402000427 R68  68     HC      H   0.060
2181C1       8.411999702   43.546001434   42.455001831 R69  69     CT      C  -0.180
2182H1       7.940999985   42.845001221   43.111999512 R69  69     HC      H   0.060
2183H2       9.392000198   43.772998810   42.818000793 R69  69     HC      H   0.060
2184H3       7.829999924   44.443000793   42.415000916 R69  69     HC      H   0.060
2185C2       8.515000343   42.938999176   41.043998718 R69  69     CT      C  -0.120
2186H4       7.534999847   42.712001801   40.680999756 R69  69     HC      H   0.060
2187H5       8.984999657   43.640998840   40.387001038 R69  69     HC      H   0.060
2188C3       9.352999687   41.647998810   41.101001740 R69  69     CT      C  -0.120
2189H6       8.883000374   40.945999146   41.756999969 R69  69     HC      H   0.060
2190H7      10.333999634   41.875000000   41.464000702 R69  69     HC      H   0.060
2191C4       9.456999779   41.040000916   39.688999176 R69  69     CT      C  -0.120
2192H8       9.927000046   41.742000580   39.032001495 R69  69     HC      H   0.060
2193H9       8.475999832   40.812999725   39.326000214 R69  69     HC      H   0.060
2194C5      10.295000076   39.750000000   39.745998383 R69  69     CT      C  -0.120
2195H10      9.824999809   39.048000336   40.402999878 R69  69     HC      H   0.060
2196H11     11.274999619   39.976001740   40.109001160 R69  69     HC      H   0.060
2197C6      10.397999763   39.141998291   38.334999084 R69  69     CT      C  -0.120
2198H12     10.868000031   39.842998505   37.678001404 R69  69     HC      H   0.060
2199H13      9.416999817   38.916000366   37.972000122 R69  69     HC      H   0.060
2200C7      11.234999657   37.852001190   38.391998291 R69  69     CT      C  -0.120
2201H14     10.765000343   37.150001526   39.048000336 R69  69     HC      H   0.060
2202H15     12.215999603   38.077999115   38.755001068 R69  69     HC      H   0.060
2203C8      11.338999748   37.243999481   36.979999542 R69  69     CT      C  -0.120
2204H16     11.809000015   37.944999695   36.323001862 R69  69     HC      H   0.060
2205H17     10.357999802   37.016998291   36.617000580 R69  69     HC      H   0.060
2206C9      12.177000046   35.952999115   37.036998749 R69  69     CT      C  -0.120
2207H18     11.706000328   35.250999451   37.694000244 R69  69     HC      H   0.060
2208H19     13.157999992   36.180000305   37.400001526 R69  69     HC      H   0.060
2209C10     12.281000137   35.345001221   35.625999451 R69  69     CT      C  -0.180
2210H20     12.751000404   36.047000885   34.967998505 R69  69     HC      H   0.060
2211H21     11.300000191   35.118000031   35.263000488 R69  69     HC      H   0.060
2212H22     12.862999916   34.448001862   35.666000366 R69  69     HC      H   0.060
2213C1       9.847000122   59.654998779   56.387001038 R70  70     CT      C  -0.180
2214H1       9.644000053   58.644001007   56.105998993 R70  70     HC      H   0.060
2215H2      10.272000313   59.673999786   57.368999481 R70  70     HC      H   0.060
2216H3       8.935999870   60.216999054   56.381000519 R70  70     HC      H   0.060
2217C2      10.838999748   60.277000427   55.386001587 R70  70     CT      C  -0.120
2218H4      10.413999557   60.257999420   54.404998779 R70  70     HC      H   0.060
2219H5      11.041999817   61.290000916   55.666999817 R70  70     HC      H   0.060
2220C3      12.149999619   59.469001770   55.395000458 R70  70     CT      C  -0.120
2221H6      11.946999550   58.457000732   55.112998962 R70  70     HC      H   0.060
2222H7      12.574999809   59.488998413   56.376998901 R70  70     HC      H   0.060
2223C4      13.142999649   60.090999603   54.395000458 R70  70     CT      C  -0.120
2224H8      13.345999718   61.104000092   54.675998688 R70  70     HC      H   0.060
2225H9      12.718000412   60.070999146   53.411998749 R70  70     HC      H   0.060
2226C5      14.454000473   59.283000946   54.402999878 R70  70     CT      C  -0.120
2227H10     14.251000404   58.270999908   54.122001648 R70  70     HC      H   0.060
2228H11     14.878000259   59.303001404   55.384998322 R70  70     HC      H   0.060
2229C6      15.444999695   59.904998779   53.402999878 R70  70     CT      C  -0.120
2230H12     15.649000168   60.916999817   53.682998657 R70  70     HC      H   0.060
2231H13     15.020999908   59.886001587   52.421001434 R70  70     HC      H   0.060
2232C7      16.756999969   59.097000122   53.410999298 R70  70     CT      C  -0.120
2233H14     16.554000854   58.084999084   53.130001068 R70  70     HC      H   0.060
2234H15     17.180999756   59.117000580   54.393001556 R70  70     HC      H   0.060
2235C8      17.749000549   59.719001770   52.409999847 R70  70     CT      C  -0.120
2236H16     17.951999664   60.730998993   52.691001892 R70  70     HC      H   0.060
2237H17     17.325000763   59.699001312   51.429000854 R70  70     HC      H   0.060
2238C9      19.059999466   58.910999298   52.418998718 R70  70     CT      C  -0.120
2239H18     18.857999802   57.898998260   52.137001038 R70  70     HC      H   0.060
2240H19     19.485000610   58.930999756   53.401000977 R70  70     HC      H   0.060
2241C10     20.052999496   59.533000946   51.418998718 R70  70     CT      C  -0.180
2242H20     20.256000519   60.544998169   51.699001312 R70  70     HC      H   0.060
2243H21     19.628000259   59.513000488   50.436000824 R70  70     HC      H   0.060
2244H22     20.964000702   58.971000671   51.424999237 R70  70     HC      H   0.060
2245C1      54.095001221   60.953998566   47.056999207 R71  71     CT      C  -0.180
2246H1      54.263000488   60.159999847   46.360000610 R71  71     HC      H   0.060
2247H2      53.048999786   61.172000885   47.103000641 R71  71     HC      H   0.060
2248H3      54.626998901   61.826000214   46.738998413 R71  71     HC      H   0.060
2249C2      54.592998505   60.527999878   48.451000214 R71  71     CT      C  -0.120
2250H4      55.638999939   60.310001373   48.403999329 R71  71     HC      H   0.060
2251H5      54.424999237   61.323001862   49.147998810 R71  71     HC      H   0.060
2252C3      53.826999664   59.272998810   48.908000946 R71  71     CT      C  -0.120
2253H6      53.994998932   58.479000092   48.212001801 R71  71     HC      H   0.060
2254H7      52.779998779   59.492000580   48.955001831 R71  71     HC      H   0.060
2255C4      54.324001312   58.847999573   50.301998138 R71  71     CT      C  -0.120
2256H8      54.155998230   59.641998291   50.999000549 R71  71     HC      H   0.060
2257H9      55.370998383   58.629001617   50.255001068 R71  71     HC      H   0.060
2258C5      53.557998657   57.592998505   50.759998322 R71  71     CT      C  -0.120
2259H10     53.726001740   56.798000336   50.062999725 R71  71     HC      H   0.060
2260H11     52.512001038   57.811000824   50.805999756 R71  71     HC      H   0.060
2261C6      54.055999756   57.166999817   52.152999878 R71  71     CT      C  -0.120
2262H12     53.888000488   57.960998535   52.851001740 R71  71     HC      H   0.060
2263H13     55.102001190   56.949001312   52.106998444 R71  71     HC      H   0.060
2264C7      53.290000916   55.911998749   52.611000061 R71  71     CT      C  -0.120
2265H14     53.458000183   55.118000031   51.914001465 R71  71     HC      H   0.060
2266H15     52.243999481   56.130001068   52.657001495 R71  71     HC      H   0.060
2267C8      53.787998199   55.486000061   54.005001068 R71  71     CT      C  -0.120
2268H16     53.619998932   56.280998230   54.701999664 R71  71     HC      H   0.060
2269H17     54.833999634   55.268001556   53.958000183 R71  71     HC      H   0.060
2270C9      53.020999908   54.230998993   54.462001801 R71  71     CT      C  -0.120
2271H18     53.189998627   53.437000275   53.765998840 R71  71     HC      H   0.060
2272H19     51.974998474   54.450000763   54.508998871 R71  71     HC      H   0.060
2273C10     53.519001007   53.805000305   55.855998993 R71  71     CT      C  -0.180
2274H20     53.351001740   54.599998474   56.554000854 R71  71     HC      H   0.060
2275H21     54.566001892   53.587001801   55.808998108 R71  71     HC      H   0.060
2276H22     52.986000061   52.932998657   56.173999786 R71  71     HC      H   0.060
2277C1      26.986000061   36.145999908    1.878000021 R72  72     CT      C  -0.180
2278H1      26.764999390   36.722999573    2.750000000 R72  72     HC      H   0.060
2279H2      26.766000748   36.721000671    1.003000021 R72  72     HC      H   0.060
2280H3      26.392000198   35.256000519    1.878999949 R72  72     HC      H   0.060
2281C2      28.479000092   35.764999390    1.878999949 R72  72     CT      C  -0.120
2282H4      28.698999405   35.189998627    2.753999949 R72  72     HC      H   0.060
2283H5      28.700000763   35.186000824    1.006999969 R72  72     HC      H   0.060
2284C3      29.333999634   37.044998169    1.876999974 R72  72     CT      C  -0.120
2285H6      29.114000320   37.623001099    2.749000072 R72  72     HC      H   0.060
2286H7      29.114000320   37.619998932    1.001000047 R72  72     HC      H   0.060
2287C4      30.826999664   36.665000916    1.876999974 R72  72     CT      C  -0.120
2288H8      31.048999786   36.085998535    1.004999995 R72  72     HC      H   0.060
2289H9      31.048000336   36.090000153    2.753000021 R72  72     HC      H   0.060
2290C5      31.683000565   37.944999695    1.875000000 R72  72     CT      C  -0.120
2291H10     31.461999893   38.523998260    2.746999979 R72  72     HC      H   0.060
2292H11     31.461999893   38.520000458    1.000000000 R72  72     HC      H   0.060
2293C6      33.174999237   37.563999176    1.876000047 R72  72     CT      C  -0.120
2294H12     33.396999359   36.986000061    1.003999949 R72  72     HC      H   0.060
2295H13     33.395999908   36.988998413    2.750999928 R72  72     HC      H   0.060
2296C7      34.030998230   38.845001221    1.873999953 R72  72     CT      C  -0.120
2297H14     33.810001373   39.423000336    2.746000051 R72  72     HC      H   0.060
2298H15     33.810001373   39.419998169    0.999000013 R72  72     HC      H   0.060
2299C8      35.523998260   38.465000153    1.875000000 R72  72     CT      C  -0.120
2300H16     35.744998932   37.886001587    1.003000021 R72  72     HC      H   0.060
2301H17     35.743999481   37.889999390    2.750000000 R72  72     HC      H   0.060
2302C9      36.379001617   39.744998932    1.873000026 R72  72     CT      C  -0.120
2303H18     36.159000397   40.323001862    2.744999886 R72  72     HC      H   0.060
2304H19     36.159000397   40.319999695    0.996999979 R72  72     HC      H   0.060
2305C10     37.872001648   39.365001678    1.873000026 R72  72     CT      C  -0.180
2306H20     38.094001770   38.785999298    1.001000047 R72  72     HC      H   0.060
2307H21     38.092998505   38.790000916    2.749000072 R72  72     HC      H   0.060
2308H22     38.465999603   40.255001068    1.871999979 R72  72     HC      H   0.060
2309C1      50.126998901   27.503999710   57.534000397 R73  73     CT      C  -0.180
2310H1      50.890998840   28.249000549   57.599998474 R73  73     HC      H   0.060
2311H2      49.949001312   27.087999344   58.502998352 R73  73     HC      H   0.060
2312H3      50.441001892   26.729999542   56.865001678 R73  73     HC      H   0.060
2313C2      48.831001282   28.143999100   57.002998352 R73  73     CT      C  -0.120
2314H4      49.008998871   28.559999466   56.034000397 R73  73     HC      H   0.060
2315H5      48.066001892   27.399000168   56.936000824 R73  73     HC      H   0.060
2316C3      48.377998352   29.257999420   57.965999603 R73  73     CT      C  -0.120
2317H6      49.141998291   30.003999710   58.032001495 R73  73     HC      H   0.060
2318H7      48.200000763   28.841999054   58.935001373 R73  73     HC      H   0.060
2319C4      47.081001282   29.899000168   57.436000824 R73  73     CT      C  -0.120
2320H8      46.316001892   29.152999878   57.368999481 R73  73     HC      H   0.060
2321H9      47.259998322   30.315999985   56.466999054 R73  73     HC      H   0.060
2322C5      46.629001617   31.013000488   58.397998810 R73  73     CT      C  -0.120
2323H10     47.393001556   31.759000778   58.465000153 R73  73     HC      H   0.060
2324H11     46.451000214   30.597000122   59.367000580 R73  73     HC      H   0.060
2325C6      45.333000183   31.652999878   57.868000031 R73  73     CT      C  -0.120
2326H12     44.568000793   30.908000946   57.800998688 R73  73     HC      H   0.060
2327H13     45.511001587   32.069000244   56.898998260 R73  73     HC      H   0.060
2328C7      44.880001068   32.766998291   58.830001831 R73  73     CT      C  -0.120
2329H14     45.645000458   33.513000488   58.896999359 R73  73     HC      H   0.060
2330H15     44.701999664   32.351001740   59.798999786 R73  73     HC      H   0.060
2331C8      43.583999634   33.408000946   58.299999237 R73  73     CT      C  -0.120
2332H16     42.819000244   32.662998199   58.233001709 R73  73     HC      H   0.060
2333H17     43.762001038   33.825000763   57.331001282 R73  73     HC      H   0.060
2334C9      43.131999969   34.522998810   59.262001038 R73  73     CT      C  -0.120
2335H18     43.895999908   35.268001556   59.328998566 R73  73     HC      H   0.060
2336H19     42.952999115   34.105998993   60.231998444 R73  73     HC      H   0.060
2337C10     41.833999634   35.162998199   58.733001709 R73  73     CT      C  -0.180
2338H20     41.069999695   34.416999817   58.665000916 R73  73     HC      H   0.060
2339H21     42.013000488   35.580001831   57.763000488 R73  73     HC      H   0.060
2340H22     41.520000458   35.937000275   59.401000977 R73  73     HC      H   0.060
2341C1      40.855998993    5.602000237   61.662998199 R74  74     CT      C  -0.180
2342H1      40.095001221    5.149000168   62.263000488 R74  74     HC      H   0.060
2343H2      40.550998688    5.600999832   60.638000488 R74  74     HC      H   0.060
2344H3      41.766998291    5.048999786   61.764999390 R74  74     HC      H   0.060
2345C2      41.082000732    7.052000046   62.131000519 R74  74     CT      C  -0.120
2346H4      41.388000488    7.052999973   63.155998230 R74  74     HC      H   0.060
2347H5      41.844001770    7.505000114   61.532001495 R74  74     HC      H   0.060
2348C3      39.771999359    7.848000050   61.984001160 R74  74     CT      C  -0.120
2349H6      39.011001587    7.394999981   62.583999634 R74  74     HC      H   0.060
2350H7      39.466999054    7.847000122   60.958000183 R74  74     HC      H   0.060
2351C4      39.998001099    9.298000336   62.451000214 R74  74     CT      C  -0.120
2352H8      40.759998322    9.751999855   61.852001190 R74  74     HC      H   0.060
2353H9      40.303001404    9.298999786   63.477001190 R74  74     HC      H   0.060
2354C5      38.687999725   10.093999863   62.304000854 R74  74     CT      C  -0.120
2355H10     37.925998688    9.642000198   62.903999329 R74  74     HC      H   0.060
2356H11     38.381999969   10.093000412   61.278999329 R74  74     HC      H   0.060
2357C6      38.914001465   11.543999672   62.771999359 R74  74     CT      C  -0.120
2358H12     39.674999237   11.998000145   62.173000336 R74  74     HC      H   0.060
2359H13     39.219001770   11.545000076   63.797000885 R74  74     HC      H   0.060
2360C7      37.604000092   12.340000153   62.625000000 R74  74     CT      C  -0.120
2361H14     36.841999054   11.887000084   63.224998474 R74  74     HC      H   0.060
2362H15     37.298000336   12.338999748   61.599998474 R74  74     HC      H   0.060
2363C8      37.828998566   13.789999962   63.092998505 R74  74     CT      C  -0.120
2364H16     38.590999603   14.244000435   62.493999481 R74  74     HC      H   0.060
2365H17     38.133998871   13.791000366   64.117996216 R74  74     HC      H   0.060
2366C9      36.519001007   14.586000443   62.945999146 R74  74     CT      C  -0.120
2367H18     35.756999969   14.133999825   63.546001434 R74  74     HC      H   0.060
2368H19     36.214000702   14.586000443   61.919998169 R74  74     HC      H   0.060
2369C10     36.743999481   16.037000656   63.412998199 R74  74     CT      C  -0.180
2370H20     37.506000519   16.490999222   62.812999725 R74  74     HC      H   0.060
2371H21     37.048999786   16.038000107   64.439002991 R74  74     HC      H   0.060
2372H22     35.833999634   16.590000153   63.311000824 R74  74     HC      H   0.060
2373C1      57.695999146   72.339996338   37.125000000 R75  75     CT      C  -0.180
2374H1      57.455001831   72.789001465   36.185001373 R75  75     HC      H   0.060
2375H2      57.084999084   72.768997192   37.891998291 R75  75     HC      H   0.060
2376H3      58.727001190   72.515998840   37.351001740 R75  75     HC      H   0.060
2377C2      57.438999176   70.822998047   37.051998138 R75  75     CT      C  -0.120
2378H4      58.048999786   70.394996643   36.284999847 R75  75     HC      H   0.060
2379H5      57.680000305   70.374000549   37.992000580 R75  75     HC      H   0.060
2380C3      55.955001831   70.570999146   36.728000641 R75  75     CT      C  -0.120
2381H6      55.713001251   71.018997192   35.786998749 R75  75     HC      H   0.060
2382H7      55.344001770   70.999000549   37.494998932 R75  75     HC      H   0.060
2383C4      55.695999146   69.054000854   36.654998779 R75  75     CT      C  -0.120
2384H8      55.937999725   68.603996277   37.595001221 R75  75     HC      H   0.060
2385H9      56.306999207   68.625000000   35.887001038 R75  75     HC      H   0.060
2386C5      54.212001801   68.801002502   36.331001282 R75  75     CT      C  -0.120
2387H10     53.971000671   69.249000549   35.389999390 R75  75     HC      H   0.060
2388H11     53.602001190   69.228996277   37.097999573 R75  75     HC      H   0.060
2389C6      53.955001831   67.283996582   36.256999969 R75  75     CT      C  -0.120
2390H12     54.195999146   66.834999084   37.196998596 R75  75     HC      H   0.060
2391H13     54.564998627   66.856002808   35.490001678 R75  75     HC      H   0.060
2392C7      52.471000671   67.030998230   35.932998657 R75  75     CT      C  -0.120
2393H14     52.229000092   67.480003357   34.992000580 R75  75     HC      H   0.060
2394H15     51.860000610   67.459999084   36.700000763 R75  75     HC      H   0.060
2395C8      52.213001251   65.513999939   35.859001160 R75  75     CT      C  -0.120
2396H16     52.453998566   65.065002441   36.799999237 R75  75     HC      H   0.060
2397H17     52.823001862   65.085998535   35.091999054 R75  75     HC      H   0.060
2398C9      50.728000641   65.262001038   35.534999847 R75  75     CT      C  -0.120
2399H18     50.486999512   65.709999084   34.594001770 R75  75     HC      H   0.060
2400H19     50.118000031   65.690002441   36.303001404 R75  75     HC      H   0.060
2401C10     50.470001221   63.744998932   35.462001801 R75  75     CT      C  -0.180
2402H20     50.712001801   63.294998169   36.402999878 R75  75     HC      H   0.060
2403H21     51.081001282   63.316001892   34.694000244 R75  75     HC      H   0.060
2404H22     49.438999176   63.569000244   35.236999512 R75  75     HC      H   0.060
2405C1      76.561996460   30.735000610   57.951999664 R76  76     CT      C  -0.180
2406H1      75.764999390   31.054000854   58.589000702 R76  76     HC      H   0.060
2407H2      76.886001587   29.759000778   58.244998932 R76  76     HC      H   0.060
2408H3      77.377998352   31.422000885   58.032001495 R76  76     HC      H   0.060
2409C2      76.067001343   30.694999695   56.493000031 R76  76     CT      C  -0.120
2410H4      75.742996216   31.670999527   56.200000763 R76  76     HC      H   0.060
2411H5      76.864997864   30.377000809   55.854999542 R76  76     HC      H   0.060
2412C3      74.891998291   29.705999374   56.377998352 R76  76     CT      C  -0.120
2413H6      74.095001221   30.024000168   57.015998840 R76  76     HC      H   0.060
2414H7      75.218002319   28.729999542   56.671001434 R76  76     HC      H   0.060
2415C4      74.398002625   29.665000916   54.919998169 R76  76     CT      C  -0.120
2416H8      75.194999695   29.347000122   54.280998230 R76  76     HC      H   0.060
2417H9      74.072998047   30.642000198   54.625999451 R76  76     HC      H   0.060
2418C5      73.222999573   28.676000595   54.804000854 R76  76     CT      C  -0.120
2419H10     72.425003052   28.993999481   55.442001343 R76  76     HC      H   0.060
2420H11     73.546997070   27.700000763   55.097999573 R76  76     HC      H   0.060
2421C6      72.727996826   28.635999680   53.346000671 R76  76     CT      C  -0.120
2422H12     73.525001526   28.318000793   52.707000732 R76  76     HC      H   0.060
2423H13     72.403999329   29.611999512   53.051998138 R76  76     HC      H   0.060
2424C7      71.553001404   27.648000717   53.230998993 R76  76     CT      C  -0.120
2425H14     70.754997253   27.965000153   53.868000031 R76  76     HC      H   0.060
2426H15     71.877998352   26.672000885   53.523998260 R76  76     HC      H   0.060
2427C8      71.057998657   27.607000351   51.771999359 R76  76     CT      C  -0.120
2428H16     71.856002808   27.288999557   51.133998871 R76  76     HC      H   0.060
2429H17     70.733001709   28.583000183   51.479000092 R76  76     HC      H   0.060
2430C9      69.883003235   26.618000031   51.657001495 R76  76     CT      C  -0.120
2431H18     69.084999084   26.936000824   52.294998169 R76  76     HC      H   0.060
2432H19     70.208000183   25.641000748   51.950000763 R76  76     HC      H   0.060
2433C10     69.388000488   26.576999664   50.199001312 R76  76     CT      C  -0.180
2434H20     70.185997009   26.259000778   49.560001373 R76  76     HC      H   0.060
2435H21     69.063003540   27.552999496   49.904998779 R76  76     HC      H   0.060
2436H22     68.571998596   25.889999390   50.118000031 R76  76     HC      H   0.060
2437C1      19.847000122   63.306999207   61.008998871 R77  77     CT      C  -0.180
2438H1      18.908000946   63.082000732   60.548999786 R77  77     HC      H   0.060
2439H2      19.697999954   63.501998901   62.049999237 R77  77     HC      H   0.060
2440H3      20.274999619   64.169998169   60.541999817 R77  77     HC      H   0.060
2441C2      20.799999237   62.109001160   60.841999054 R77  77     CT      C  -0.120
2442H4      20.950000763   61.914001465   59.800998688 R77  77     HC      H   0.060
2443H5      21.740999222   62.333999634   61.300998688 R77  77     HC      H   0.060
2444C3      20.184999466   60.867000580   61.513999939 R77  77     CT      C  -0.120
2445H6      19.246000290   60.641998291   61.055000305 R77  77     HC      H   0.060
2446H7      20.035999298   61.062999725   62.555999756 R77  77     HC      H   0.060
2447C4      21.138000488   59.668998718   61.348999023 R77  77     CT      C  -0.120
2448H8      22.077999115   59.894001007   61.807998657 R77  77     HC      H   0.060
2449H9      21.287000656   59.472999573   60.306999207 R77  77     HC      H   0.060
2450C5      20.523000717   58.426998138   62.020999908 R77  77     CT      C  -0.120
2451H10     19.583000183   58.201999664   61.562000275 R77  77     HC      H   0.060
2452H11     20.374000549   58.622001648   63.062000275 R77  77     HC      H   0.060
2453C6      21.475999832   57.229000092   61.854000092 R77  77     CT      C  -0.120
2454H12     22.416000366   57.452999115   62.313999176 R77  77     HC      H   0.060
2455H13     21.625000000   57.034000397   60.812999725 R77  77     HC      H   0.060
2456C7      20.860000610   55.986999512   62.527000427 R77  77     CT      C  -0.120
2457H14     19.920999527   55.762001038   62.068000793 R77  77     HC      H   0.060
2458H15     20.711000443   56.182998657   63.568000793 R77  77     HC      H   0.060
2459C8      21.812999725   54.787998199   62.360000610 R77  77     CT      C  -0.120
2460H16     22.753000259   55.013000488   62.819000244 R77  77     HC      H   0.060
2461H17     21.961999893   54.592998505   61.319000244 R77  77     HC      H   0.060
2462C9      21.197999954   53.547000885   63.033000946 R77  77     CT      C  -0.120
2463H18     20.257999420   53.320999146   62.574001312 R77  77     HC      H   0.060
2464H19     21.048999786   53.742000580   64.074996948 R77  77     HC      H   0.060
2465C10     22.150999069   52.347999573   62.867000580 R77  77     CT      C  -0.180
2466H20     23.090999603   52.573001862   63.326000214 R77  77     HC      H   0.060
2467H21     22.298999786   52.152999878   61.825000763 R77  77     HC      H   0.060
2468H22     21.722999573   51.485000610   63.333999634 R77  77     HC      H   0.060
2469C1      27.572000504   51.483001709   55.129001617 R78  78     CT      C  -0.180
2470H1      28.135000229   51.248001099   54.250999451 R78  78     HC      H   0.060
2471H2      28.181999207   51.333999634   55.994998932 R78  78     HC      H   0.060
2472H3      26.714000702   50.846000671   55.182998657 R78  78     HC      H   0.060
2473C2      27.114999771   52.952999115   55.068000793 R78  78     CT      C  -0.120
2474H4      26.504999161   53.101001740   54.201999664 R78  78     HC      H   0.060
2475H5      26.551000595   53.187999725   55.945999146 R78  78     HC      H   0.060
2476C3      28.350000381   53.869998932   54.990001678 R78  78     CT      C  -0.120
2477H6      28.913999557   53.634998322   54.111999512 R78  78     HC      H   0.060
2478H7      28.959999084   53.721000671   55.856998444 R78  78     HC      H   0.060
2479C4      27.893999100   55.340000153   54.930000305 R78  78     CT      C  -0.120
2480H8      27.329999924   55.575000763   55.807998657 R78  78     HC      H   0.060
2481H9      27.284000397   55.488998413   54.062999725 R78  78     HC      H   0.060
2482C5      29.128999710   56.256999969   54.852001190 R78  78     CT      C  -0.120
2483H10     29.693000793   56.022998810   53.973999023 R78  78     HC      H   0.060
2484H11     29.739000320   56.109001160   55.717998505 R78  78     HC      H   0.060
2485C6      28.672000885   57.727001190   54.791000366 R78  78     CT      C  -0.120
2486H12     28.108999252   57.963001251   55.668998718 R78  78     HC      H   0.060
2487H13     28.062000275   57.875000000   53.924999237 R78  78     HC      H   0.060
2488C7      29.906999588   58.644001007   54.713001251 R78  78     CT      C  -0.120
2489H14     30.471000671   58.409999847   53.834999084 R78  78     HC      H   0.060
2490H15     30.517000198   58.495998383   55.578998566 R78  78     HC      H   0.060
2491C8      29.451000214   60.113998413   54.652000427 R78  78     CT      C  -0.120
2492H16     28.886999130   60.349998474   55.530998230 R78  78     HC      H   0.060
2493H17     28.840999603   60.263000488   53.785999298 R78  78     HC      H   0.060
2494C9      30.686000824   61.032001495   54.574001312 R78  78     CT      C  -0.120
2495H18     31.250000000   60.797000885   53.695999146 R78  78     HC      H   0.060
2496H19     31.295999527   60.882999420   55.441001892 R78  78     HC      H   0.060
2497C10     30.229999542   62.501998901   54.513999939 R78  78     CT      C  -0.180
2498H20     29.666000366   62.736999512   55.393001556 R78  78     HC      H   0.060
2499H21     29.620000839   62.650001526   53.646999359 R78  78     HC      H   0.060
2500H22     31.087999344   63.138999939   54.459999084 R78  78     HC      H   0.060
2501C1      68.814002991   38.943000793   16.722000122 R79  79     CT      C  -0.180
2502H1      69.741996765   38.416999817   16.788999557 R79  79     HC      H   0.060
2503H2      68.333999634   38.706001282   15.795999527 R79  79     HC      H   0.060
2504H3      68.998001099   39.995998383   16.768999100 R79  79     HC      H   0.060
2505C2      67.902999878   38.529998779   17.892999649 R79  79     CT      C  -0.120
2506H4      68.382003784   38.766998291   18.819000244 R79  79     HC      H   0.060
2507H5      66.973999023   39.057998657   17.826000214 R79  79     HC      H   0.060
2508C3      67.638000488   37.013999939   17.825000763 R79  79     CT      C  -0.120
2509H6      68.566001892   36.486000061   17.892000198 R79  79     HC      H   0.060
2510H7      67.157997131   36.777000427   16.898000717 R79  79     HC      H   0.060
2511C4      66.725997925   36.598999023   18.995000839 R79  79     CT      C  -0.120
2512H8      65.796997070   37.126998901   18.927999496 R79  79     HC      H   0.060
2513H9      67.206001282   36.835998535   19.922000885 R79  79     HC      H   0.060
2514C5      66.460998535   35.083999634   18.927000046 R79  79     CT      C  -0.120
2515H10     67.388999939   34.555999756   18.993999481 R79  79     HC      H   0.060
2516H11     65.981002808   34.847000122   18.000999451 R79  79     HC      H   0.060
2517C6      65.550003052   34.669998169   20.097999573 R79  79     CT      C  -0.120
2518H12     64.621002197   35.196998596   20.031000137 R79  79     HC      H   0.060
2519H13     66.028999329   34.907001495   21.024000168 R79  79     HC      H   0.060
2520C7      65.285003662   33.153999329   20.030000687 R79  79     CT      C  -0.120
2521H14     66.212997437   32.626998901   20.097000122 R79  79     HC      H   0.060
2522H15     64.805000305   32.916999817   19.103000641 R79  79     HC      H   0.060
2523C8      64.373001099   32.740001678   21.200000763 R79  79     CT      C  -0.120
2524H16     63.444999695   33.268001556   21.134000778 R79  79     HC      H   0.060
2525H17     64.852996826   32.977001190   22.127000809 R79  79     HC      H   0.060
2526C9      64.108001709   31.224000931   21.132999420 R79  79     CT      C  -0.120
2527H18     65.036003113   30.695999146   21.200000763 R79  79     HC      H   0.060
2528H19     63.627998352   30.986999512   20.205999374 R79  79     HC      H   0.060
2529C10     63.195999146   30.809000015   22.302999496 R79  79     CT      C  -0.180
2530H20     62.268001556   31.336999893   22.236000061 R79  79     HC      H   0.060
2531H21     63.675998688   31.045999527   23.229999542 R79  79     HC      H   0.060
2532H22     63.012001038   29.756000519   22.254999161 R79  79     HC      H   0.060
2533C1      67.186996460   55.903999329   69.234001160 R80  80     CT      C  -0.180
2534H1      67.163002014   56.382999420   68.277999878 R80  80     HC      H   0.060
2535H2      66.348999023   55.245998383   69.324996948 R80  80     HC      H   0.060
2536H3      67.142997742   56.645000458   70.004997253 R80  80     HC      H   0.060
2537C2      68.490997314   55.097000122   69.372001648 R80  80     CT      C  -0.120
2538H4      69.329002380   55.756000519   69.280998230 R80  80     HC      H   0.060
2539H5      68.515998840   54.618999481   70.329002380 R80  80     HC      H   0.060
2540C3      68.554000854   54.030998230   68.262001038 R80  80     CT      C  -0.120
2541H6      68.529998779   54.508998871   67.305999756 R80  80     HC      H   0.060
2542H7      67.714996338   53.372001648   68.353996277 R80  80     HC      H   0.060
2543C4      69.858001709   53.222999573   68.400001526 R80  80     CT      C  -0.120
2544H8      69.883003235   52.743999481   69.357002258 R80  80     HC      H   0.060
2545H9      70.695999146   53.881999969   68.307998657 R80  80     HC      H   0.060
2546C5      69.919998169   52.155998230   67.291000366 R80  80     CT      C  -0.120
2547H10     69.896003723   52.633998871   66.333999634 R80  80     HC      H   0.060
2548H11     69.082000732   51.498001099   67.382003784 R80  80     HC      H   0.060
2549C6      71.224998474   51.348999023   67.428001404 R80  80     CT      C  -0.120
2550H12     71.249000549   50.869998932   68.385002136 R80  80     HC      H   0.060
2551H13     72.063003540   52.007999420   67.336997986 R80  80     HC      H   0.060
2552C7      71.287002563   50.283000946   66.319000244 R80  80     CT      C  -0.120
2553H14     71.263000488   50.761001587   65.362998962 R80  80     HC      H   0.060
2554H15     70.448997498   49.624000549   66.410003662 R80  80     HC      H   0.060
2555C8      72.592002869   49.474998474   66.456001282 R80  80     CT      C  -0.120
2556H16     72.615997314   48.997001648   67.413002014 R80  80     HC      H   0.060
2557H17     73.430000305   50.133998871   66.364997864 R80  80     HC      H   0.060
2558C9      72.653999329   48.409000397   65.347000122 R80  80     CT      C  -0.120
2559H18     72.629997253   48.887001038   64.389999390 R80  80     HC      H   0.060
2560H19     71.815002441   47.750000000   65.438003540 R80  80     HC      H   0.060
2561C10     73.958000183   47.601001740   65.484001160 R80  80     CT      C  -0.180
2562H20     73.983001709   47.122001648   66.441001892 R80  80     HC      H   0.060
2563H21     74.796997070   48.259998322   65.392997742 R80  80     HC      H   0.060
2564H22     74.000999451   46.860000610   64.712997437 R80  80     HC      H   0.060
2565C1      37.285999298   17.059000015   27.274000168 R81  81     CT      C  -0.180
2566H1      37.603000641   17.031999588   26.253000259 R81  81     HC      H   0.060
2567H2      38.099998474   17.375999451   27.892000198 R81  81     HC      H   0.060
2568H3      36.967998505   16.083000183   27.575000763 R81  81     HC      H   0.060
2569C2      36.113998413   18.048000336   27.420999527 R81  81     CT      C  -0.120
2570H4      35.299999237   17.731000900   26.802999496 R81  81     HC      H   0.060
2571H5      35.796001434   18.075000763   28.441999435 R81  81     HC      H   0.060
2572C3      36.570999146   19.452999115   26.988000870 R81  81     CT      C  -0.120
2573H6      36.888000488   19.426000595   25.965999603 R81  81     HC      H   0.060
2574H7      37.384998322   19.770000458   27.606000900 R81  81     HC      H   0.060
2575C4      35.398998260   20.441999435   27.135000229 R81  81     CT      C  -0.120
2576H8      35.081001282   20.468999863   28.156999588 R81  81     HC      H   0.060
2577H9      34.585998535   20.125000000   26.516000748 R81  81     HC      H   0.060
2578C5      35.855998993   21.847000122   26.701999664 R81  81     CT      C  -0.120
2579H10     36.173000336   21.819999695   25.680999756 R81  81     HC      H   0.060
2580H11     36.669998169   22.163999557   27.319999695 R81  81     HC      H   0.060
2581C6      34.683998108   22.834999084   26.849000931 R81  81     CT      C  -0.120
2582H12     34.367000580   22.864000320   27.870000839 R81  81     HC      H   0.060
2583H13     33.870998383   22.518999100   26.231000900 R81  81     HC      H   0.060
2584C7      35.140998840   24.240999222   26.416000366 R81  81     CT      C  -0.120
2585H14     35.458000183   24.214000702   25.393999100 R81  81     HC      H   0.060
2586H15     35.955001831   24.558000565   27.034000397 R81  81     HC      H   0.060
2587C8      33.969001770   25.229999542   26.562999725 R81  81     CT      C  -0.120
2588H16     33.651000977   25.256999969   27.583999634 R81  81     HC      H   0.060
2589H17     33.155998230   24.913000107   25.944999695 R81  81     HC      H   0.060
2590C9      34.425998688   26.635000229   26.128999710 R81  81     CT      C  -0.120
2591H18     34.743000031   26.607999802   25.107999802 R81  81     HC      H   0.060
2592H19     35.240001678   26.951999664   26.747999191 R81  81     HC      H   0.060
2593C10     33.255001068   27.624000549   26.277000427 R81  81     CT      C  -0.180
2594H20     32.937000275   27.652000427   27.298999786 R81  81     HC      H   0.060
2595H21     32.441001892   27.306999207   25.658000946 R81  81     HC      H   0.060
2596H22     33.571998596   28.600999832   25.975999832 R81  81     HC      H   0.060
2597C1      12.939999580   27.002000809   37.841999054 R82  82     CT      C  -0.180
2598H1      12.932999611   26.805999756   36.790000916 R82  82     HC      H   0.060
2599H2      13.449000359   26.209999084   38.348999023 R82  82     HC      H   0.060
2600H3      11.934000015   27.065999985   38.199001312 R82  82     HC      H   0.060
2601C2      13.664999962   28.333999634   38.111000061 R82  82     CT      C  -0.120
2602H4      13.154999733   29.125999451   37.604000092 R82  82     HC      H   0.060
2603H5      13.670999527   28.531000137   39.162998199 R82  82     HC      H   0.060
2604C3      15.112999916   28.243000031   37.597000122 R82  82     CT      C  -0.120
2605H6      15.107000351   28.047000885   36.546001434 R82  82     HC      H   0.060
2606H7      15.623000145   27.450000763   38.105998993 R82  82     HC      H   0.060
2607C4      15.838999748   29.573999405   37.867000580 R82  82     CT      C  -0.120
2608H8      15.845000267   29.770999908   38.918998718 R82  82     HC      H   0.060
2609H9      15.329999924   30.367000580   37.359001160 R82  82     HC      H   0.060
2610C5      17.288000107   29.482999802   37.353000641 R82  82     CT      C  -0.120
2611H10     17.281999588   29.287000656   36.301998138 R82  82     HC      H   0.060
2612H11     17.797000885   28.690999985   37.861000061 R82  82     HC      H   0.060
2613C6      18.011999130   30.815000534   37.623001099 R82  82     CT      C  -0.120
2614H12     18.018999100   31.011999130   38.673999786 R82  82     HC      H   0.060
2615H13     17.503000259   31.607000351   37.115001678 R82  82     HC      H   0.060
2616C7      19.461000443   30.724000931   37.109001160 R82  82     CT      C  -0.120
2617H14     19.454999924   30.527999878   36.056999207 R82  82     HC      H   0.060
2618H15     19.969999313   29.931999207   37.616001129 R82  82     HC      H   0.060
2619C8      20.186000824   32.055999756   37.377998352 R82  82     CT      C  -0.120
2620H16     20.193000793   32.251998901   38.430000305 R82  82     HC      H   0.060
2621H17     19.677000046   32.847999573   36.869998932 R82  82     HC      H   0.060
2622C9      21.635000229   31.964000702   36.863998413 R82  82     CT      C  -0.120
2623H18     21.628999710   31.767999649   35.812000275 R82  82     HC      H   0.060
2624H19     22.145000458   31.172000885   37.373001099 R82  82     HC      H   0.060
2625C10     22.361000061   33.296001434   37.133998871 R82  82     CT      C  -0.180
2626H20     22.367000580   33.493000031   38.186000824 R82  82     HC      H   0.060
2627H21     21.850999832   34.088001251   36.625999451 R82  82     HC      H   0.060
2628H22     23.367000580   33.231998444   36.777000427 R82  82     HC      H   0.060
2629C1      56.812000275   64.617996216    6.067999840 R83  83     CT      C  -0.180
2630H1      56.583999634   64.265998840    7.052000046 R83  83     HC      H   0.060
2631H2      57.856998444   64.833999634    5.999000072 R83  83     HC      H   0.060
2632H3      56.250000000   65.505996704    5.868000031 R83  83     HC      H   0.060
2633C2      56.442001343   63.534999847    5.037000179 R83  83     CT      C  -0.120
2634H4      55.395999908   63.319000244    5.105999947 R83  83     HC      H   0.060
2635H5      56.668998718   63.887001038    4.052000046 R83  83     HC      H   0.060
2636C3      57.250999451   62.256999969    5.323999882 R83  83     CT      C  -0.120
2637H6      57.022998810   61.903999329    6.308000088 R83  83     HC      H   0.060
2638H7      58.297000885   62.472999573    5.255000114 R83  83     HC      H   0.060
2639C4      56.881999969   61.173000336    4.293000221 R83  83     CT      C  -0.120
2640H8      57.109001160   61.525001526    3.308000088 R83  83     HC      H   0.060
2641H9      55.835998535   60.957000732    4.362999916 R83  83     HC      H   0.060
2642C5      57.691001892   59.895000458    4.580999851 R83  83     CT      C  -0.120
2643H10     57.463001251   59.541999817    5.565000057 R83  83     HC      H   0.060
2644H11     58.736000061   60.111000061    4.511000156 R83  83     HC      H   0.060
2645C6      57.320999146   58.812000275    3.549999952 R83  83     CT      C  -0.120
2646H12     57.548000336   59.162998199    2.565000057 R83  83     HC      H   0.060
2647H13     56.276000977   58.596000671    3.618999958 R83  83     HC      H   0.060
2648C7      58.130001068   57.533000946    3.836999893 R83  83     CT      C  -0.120
2649H14     57.902000427   57.180999756    4.821000099 R83  83     HC      H   0.060
2650H15     59.174999237   57.749000549    3.767999887 R83  83     HC      H   0.060
2651C8      57.759998322   56.450000763    2.805999994 R83  83     CT      C  -0.120
2652H16     57.986999512   56.801998138    1.822000027 R83  83     HC      H   0.060
2653H17     56.715000153   56.233001709    2.875999928 R83  83     HC      H   0.060
2654C9      58.569000244   55.171001434    3.094000101 R83  83     CT      C  -0.120
2655H18     58.341999054   54.818000793    4.078000069 R83  83     HC      H   0.060
2656H19     59.615001678   55.387001038    3.023999929 R83  83     HC      H   0.060
2657C10     58.201000214   54.088001251    2.062999964 R83  83     CT      C  -0.180
2658H20     58.428001404   54.439998627    1.077999949 R83  83     HC      H   0.060
2659H21     57.154998779   53.870998383    2.131999969 R83  83     HC      H   0.060
2660H22     58.763000488   53.199001312    2.263000011 R83  83     HC      H   0.060
2661C1      16.513000488   11.524999619   57.182998657 R84  84     CT      C  -0.180
2662H1      16.082000732   10.840999603   56.484001160 R84  84     HC      H   0.060
2663H2      16.111999512   11.340999603   58.157001495 R84  84     HC      H   0.060
2664H3      16.285999298   12.527999878   56.887001038 R84  84     HC      H   0.060
2665C2      18.041000366   11.333999634   57.210998535 R84  84     CT      C  -0.120
2666H4      18.441999435   11.517999649   56.236999512 R84  84     HC      H   0.060
2667H5      18.474000931   12.020000458   57.909999847 R84  84     HC      H   0.060
2668C3      18.368999481    9.890999794   57.637001038 R84  84     CT      C  -0.120
2669H6      17.937999725    9.206000328   56.937999725 R84  84     HC      H   0.060
2670H7      17.968000412    9.706999779   58.612998962 R84  84     HC      H   0.060
2671C4      19.896999359    9.699000359   57.666999817 R84  84     CT      C  -0.120
2672H8      20.329999924   10.385000229   58.366001129 R84  84     HC      H   0.060
2673H9      20.298000336    9.883000374   56.692001343 R84  84     HC      H   0.060
2674C5      20.225000381    8.255999565   58.092998505 R84  84     CT      C  -0.120
2675H10     19.794000626    7.571000099   57.394001007 R84  84     HC      H   0.060
2676H11     19.823999405    8.071999550   59.067001343 R84  84     HC      H   0.060
2677C6      21.753000259    8.064999580   58.122001648 R84  84     CT      C  -0.120
2678H12     22.186000824    8.748999596   58.820999146 R84  84     HC      H   0.060
2679H13     22.153999329    8.248999596   57.146999359 R84  84     HC      H   0.060
2680C7      22.080999374    6.622000217   58.547000885 R84  84     CT      C  -0.120
2681H14     21.649999619    5.936999798   57.847999573 R84  84     HC      H   0.060
2682H15     21.680000305    6.436999798   59.521999359 R84  84     HC      H   0.060
2683C8      23.608999252    6.429999828   58.576000214 R84  84     CT      C  -0.120
2684H16     24.041999817    7.114999771   59.275001526 R84  84     HC      H   0.060
2685H17     24.010000229    6.613999844   57.602001190 R84  84     HC      H   0.060
2686C9      23.937000275    4.986000061   59.001998901 R84  84     CT      C  -0.120
2687H18     23.506000519    4.301000118   58.303001404 R84  84     HC      H   0.060
2688H19     23.535999298    4.802000046   59.977001190 R84  84     HC      H   0.060
2689C10     25.465000153    4.795000076   59.032001495 R84  84     CT      C  -0.180
2690H20     25.898000717    5.480000019   59.730998993 R84  84     HC      H   0.060
2691H21     25.865999222    4.979000092   58.056999207 R84  84     HC      H   0.060
2692H22     25.693000793    3.792000055   59.327999115 R84  84     HC      H   0.060
2693C1      54.778999329   39.598999023   58.159000397 R85  85     CT      C  -0.180
2694H1      55.414001465   38.926998138   57.622001648 R85  85     HC      H   0.060
2695H2      55.150001526   39.722999573   59.154998779 R85  85     HC      H   0.060
2696H3      53.786998749   39.200000763   58.194999695 R85  85     HC      H   0.060
2697C2      54.756999969   40.964000702   57.445999146 R85  85     CT      C  -0.120
2698H4      54.384998322   40.840999603   56.451000214 R85  85     HC      H   0.060
2699H5      54.119998932   41.637001038   57.983001709 R85  85     HC      H   0.060
2700C3      56.183998108   41.539001465   57.395000458 R85  85     CT      C  -0.120
2701H6      56.819999695   40.867000580   56.856998444 R85  85     HC      H   0.060
2702H7      56.555000305   41.662998199   58.390998840 R85  85     HC      H   0.060
2703C4      56.162998199   42.904998779   56.682998657 R85  85     CT      C  -0.120
2704H8      55.527000427   43.576999664   57.219001770 R85  85     HC      H   0.060
2705H9      55.791999817   42.780998230   55.686000824 R85  85     HC      H   0.060
2706C5      57.590999603   43.479000092   56.631000519 R85  85     CT      C  -0.120
2707H10     58.226001740   42.806999207   56.094001770 R85  85     HC      H   0.060
2708H11     57.962001801   43.603000641   57.625999451 R85  85     HC      H   0.060
2709C6      57.568000793   44.844001770   55.917999268 R85  85     CT      C  -0.120
2710H12     56.932998657   45.516998291   56.455001831 R85  85     HC      H   0.060
2711H13     57.196998596   44.721000671   54.923000336 R85  85     HC      H   0.060
2712C7      58.995998383   45.418998718   55.866001129 R85  85     CT      C  -0.120
2713H14     59.631999969   44.747001648   55.328998566 R85  85     HC      H   0.060
2714H15     59.367000580   45.541999817   56.861999512 R85  85     HC      H   0.060
2715C8      58.973999023   46.784000397   55.153999329 R85  85     CT      C  -0.120
2716H16     58.338001251   47.457000732   55.689998627 R85  85     HC      H   0.060
2717H17     58.603000641   46.660999298   54.158000946 R85  85     HC      H   0.060
2718C9      60.402000427   47.359001160   55.102001190 R85  85     CT      C  -0.120
2719H18     61.037998199   46.687000275   54.564998627 R85  85     HC      H   0.060
2720H19     60.772998810   47.483001709   56.097999573 R85  85     HC      H   0.060
2721C10     60.381000519   48.724998474   54.389999390 R85  85     CT      C  -0.180
2722H20     59.743999481   49.397998810   54.926998138 R85  85     HC      H   0.060
2723H21     60.009998322   48.601001740   53.393001556 R85  85     HC      H   0.060
2724H22     61.373001099   49.124000549   54.354000092 R85  85     HC      H   0.060
2725C1      21.797000885   54.907001495   57.478000641 R86  86     CT      C  -0.180
2726H1      22.681999207   54.340999603   57.278999329 R86  86     HC      H   0.060
2727H2      22.031999588   55.950000763   57.479999542 R86  86     HC      H   0.060
2728H3      21.403999329   54.629001617   58.433998108 R86  86     HC      H   0.060
2729C2      20.746999741   54.618999481   56.388999939 R86  86     CT      C  -0.120
2730H4      20.511999130   53.575000763   56.387001038 R86  86     HC      H   0.060
2731H5      19.861000061   55.183998108   56.588001251 R86  86     HC      H   0.060
2732C3      21.312999725   55.019001007   55.013999939 R86  86     CT      C  -0.120
2733H6      22.198999405   54.453998566   54.813999176 R86  86     HC      H   0.060
2734H7      21.548000336   56.063999176   55.014999390 R86  86     HC      H   0.060
2735C4      20.263999939   54.731998444   53.923000336 R86  86     CT      C  -0.120
2736H8      19.377000809   55.297000885   54.123001099 R86  86     HC      H   0.060
2737H9      20.028999329   53.687999725   53.922000885 R86  86     HC      H   0.060
2738C5      20.829999924   55.132999420   52.548000336 R86  86     CT      C  -0.120
2739H10     21.715000153   54.567001343   52.347999573 R86  86     HC      H   0.060
2740H11     21.065000534   56.175998688   52.548999786 R86  86     HC      H   0.060
2741C6      19.780000687   54.844001770   51.458000183 R86  86     CT      C  -0.120
2742H12     18.893999100   55.409999847   51.657001495 R86  86     HC      H   0.060
2743H13     19.545000076   53.800998688   51.457000732 R86  86     HC      H   0.060
2744C7      20.346000671   55.244998932   50.083000183 R86  86     CT      C  -0.120
2745H14     21.232000351   54.679000854   49.882999420 R86  86     HC      H   0.060
2746H15     20.580999374   56.287998199   50.084999084 R86  86     HC      H   0.060
2747C8      19.297000885   54.957000732   48.993000031 R86  86     CT      C  -0.120
2748H16     18.409999847   55.521999359   49.192001343 R86  86     HC      H   0.060
2749H17     19.061000824   53.914001465   48.991001129 R86  86     HC      H   0.060
2750C9      19.863000870   55.358001709   47.617000580 R86  86     CT      C  -0.120
2751H18     20.747999191   54.791999817   47.416999817 R86  86     HC      H   0.060
2752H19     20.097999573   56.402000427   47.618999481 R86  86     HC      H   0.060
2753C10     18.812999725   55.069999695   46.527000427 R86  86     CT      C  -0.180
2754H20     17.927000046   55.636001587   46.727001190 R86  86     HC      H   0.060
2755H21     18.577999115   54.026000977   46.526000977 R86  86     HC      H   0.060
2756H22     19.205999374   55.348999023   45.571998596 R86  86     HC      H   0.060
2757C1      36.097000122   31.253999710   64.966003418 R87  87     CT      C  -0.180
2758H1      36.050998688   31.200000763   66.032997131 R87  87     HC      H   0.060
2759H2      36.897998810   31.899999619   64.675003052 R87  87     HC      H   0.060
2760H3      35.173000336   31.638000488   64.588996887 R87  87     HC      H   0.060
2761C2      36.340000153   29.844999313   64.391998291 R87  87     CT      C  -0.120
2762H4      35.539001465   29.198999405   64.681999207 R87  87     HC      H   0.060
2763H5      36.384998322   29.899000168   63.324001312 R87  87     HC      H   0.060
2764C3      37.669998169   29.291999817   64.934997559 R87  87     CT      C  -0.120
2765H6      37.625000000   29.238000870   66.001998901 R87  87     HC      H   0.060
2766H7      38.471000671   29.938999176   64.642997742 R87  87     HC      H   0.060
2767C4      37.914001465   27.884000778   64.360000610 R87  87     CT      C  -0.120
2768H8      37.958999634   27.937000275   63.291999817 R87  87     HC      H   0.060
2769H9      37.111999512   27.236999512   64.651000977 R87  87     HC      H   0.060
2770C5      39.243999481   27.330999374   64.902999878 R87  87     CT      C  -0.120
2771H10     39.199001312   27.275999069   65.970001221 R87  87     HC      H   0.060
2772H11     40.044998169   27.976999283   64.611999512 R87  87     HC      H   0.060
2773C6      39.486000061   25.922000885   64.328002930 R87  87     CT      C  -0.120
2774H12     39.532001495   25.975000381   63.259998322 R87  87     HC      H   0.060
2775H13     38.686000824   25.275999069   64.619003296 R87  87     HC      H   0.060
2776C7      40.817001343   25.368999481   64.871002197 R87  87     CT      C  -0.120
2777H14     40.770999908   25.315000534   65.939002991 R87  87     HC      H   0.060
2778H15     41.617000580   26.016000748   64.581001282 R87  87     HC      H   0.060
2779C8      41.060001373   23.961000443   64.296997070 R87  87     CT      C  -0.120
2780H16     41.104999542   24.013999939   63.229000092 R87  87     HC      H   0.060
2781H17     40.258998871   23.313999176   64.587997437 R87  87     HC      H   0.060
2782C9      42.389999390   23.406999588   64.839996338 R87  87     CT      C  -0.120
2783H18     42.345001221   23.353000641   65.907997131 R87  87     HC      H   0.060
2784H19     43.191001892   24.054000854   64.549003601 R87  87     HC      H   0.060
2785C10     42.633998871   21.999000549   64.264999390 R87  87     CT      C  -0.180
2786H20     42.679000854   22.052000046   63.196998596 R87  87     HC      H   0.060
2787H21     41.833000183   21.351999283   64.556999207 R87  87     HC      H   0.060
2788H22     43.557998657   21.614999771   64.642997742 R87  87     HC      H   0.060
2789C1      47.015998840   59.478000641   46.604999542 R88  88     CT      C  -0.180
2790H1      47.908000946   58.922000885   46.410999298 R88  88     HC      H   0.060
2791H2      46.261001587   59.199001312   45.901000977 R88  88     HC      H   0.060
2792H3      47.221000671   60.523998260   46.513000488 R88  88     HC      H   0.060
2793C2      46.523998260   59.176998138   48.033000946 R88  88     CT      C  -0.120
2794H4      47.278999329   59.455001831   48.736999512 R88  88     HC      H   0.060
2795H5      45.631000519   59.734001160   48.228000641 R88  88     HC      H   0.060
2796C3      46.229000092   57.671001434   48.166000366 R88  88     CT      C  -0.120
2797H6      47.120998383   57.113998413   47.971000671 R88  88     HC      H   0.060
2798H7      45.472000122   57.391998291   47.460998535 R88  88     HC      H   0.060
2799C4      45.735000610   57.368000031   49.592998505 R88  88     CT      C  -0.120
2800H8      44.842998505   57.925998688   49.787998199 R88  88     HC      H   0.060
2801H9      46.492000580   57.646999359   50.298000336 R88  88     HC      H   0.060
2802C5      45.439998627   55.862998962   49.726001740 R88  88     CT      C  -0.120
2803H10     46.332000732   55.305999756   49.532001495 R88  88     HC      H   0.060
2804H11     44.685001373   55.583999634   49.021999359 R88  88     HC      H   0.060
2805C6      44.948001862   55.561000824   51.153999329 R88  88     CT      C  -0.120
2806H12     44.055000305   56.117000580   51.348999023 R88  88     HC      H   0.060
2807H13     45.702999115   55.840000153   51.858001709 R88  88     HC      H   0.060
2808C7      44.652999878   54.055000305   51.285999298 R88  88     CT      C  -0.120
2809H14     45.544998169   53.498001099   51.091999054 R88  88     HC      H   0.060
2810H15     43.896999359   53.777000427   50.582000732 R88  88     HC      H   0.060
2811C8      44.160999298   53.752998352   52.714000702 R88  88     CT      C  -0.120
2812H16     43.268001556   54.310001373   52.909999847 R88  88     HC      H   0.060
2813H17     44.916000366   54.030998230   53.417999268 R88  88     HC      H   0.060
2814C9      43.865001678   52.247001648   52.847000122 R88  88     CT      C  -0.120
2815H18     44.757999420   51.689998627   52.652999878 R88  88     HC      H   0.060
2816H19     43.109001160   51.967998505   52.143001556 R88  88     HC      H   0.060
2817C10     43.372001648   51.944000244   54.275001526 R88  88     CT      C  -0.180
2818H20     42.479000092   52.501998901   54.470001221 R88  88     HC      H   0.060
2819H21     44.127998352   52.222999573   54.979000092 R88  88     HC      H   0.060
2820H22     43.166999817   50.897998810   54.367000580 R88  88     HC      H   0.060
2821C1      52.145999908   62.131999969   23.100999832 R89  89     CT      C  -0.180
2822H1      51.794998169   61.339000702   22.475999832 R89  89     HC      H   0.060
2823H2      51.722999573   63.058998108   22.774000168 R89  89     HC      H   0.060
2824H3      53.213001251   62.187000275   23.042999268 R89  89     HC      H   0.060
2825C2      51.724998474   61.862998962   24.558000565 R89  89     CT      C  -0.120
2826H4      52.147998810   60.937000275   24.885999680 R89  89     HC      H   0.060
2827H5      52.076999664   62.657001495   25.184000015 R89  89     HC      H   0.060
2828C3      50.189998627   61.784999847   24.642000198 R89  89     CT      C  -0.120
2829H6      49.838001251   60.991001129   24.017000198 R89  89     HC      H   0.060
2830H7      49.766998291   62.712001801   24.315000534 R89  89     HC      H   0.060
2831C4      49.768001556   61.515998840   26.099000931 R89  89     CT      C  -0.120
2832H8      50.119998932   62.310001373   26.725000381 R89  89     HC      H   0.060
2833H9      50.191001892   60.589000702   26.427000046 R89  89     HC      H   0.060
2834C5      48.231998444   61.437999725   26.183000565 R89  89     CT      C  -0.120
2835H10     47.881000519   60.644001007   25.559000015 R89  89     HC      H   0.060
2836H11     47.810001373   62.365001678   25.856000900 R89  89     HC      H   0.060
2837C6      47.812000275   61.168998718   27.639999390 R89  89     CT      C  -0.120
2838H12     48.162998199   61.962001801   28.266000748 R89  89     HC      H   0.060
2839H13     48.235000610   60.243000031   27.968000412 R89  89     HC      H   0.060
2840C7      46.276000977   61.090999603   27.724000931 R89  89     CT      C  -0.120
2841H14     45.924999237   60.297000885   27.100000381 R89  89     HC      H   0.060
2842H15     45.854000092   62.016998291   27.396999359 R89  89     HC      H   0.060
2843C8      45.854999542   60.820999146   29.180999756 R89  89     CT      C  -0.120
2844H16     46.207000732   61.615001678   29.806999207 R89  89     HC      H   0.060
2845H17     46.277999878   59.895000458   29.509000778 R89  89     HC      H   0.060
2846C9      44.319000244   60.743000031   29.264999390 R89  89     CT      C  -0.120
2847H18     43.966999054   59.949001312   28.641000748 R89  89     HC      H   0.060
2848H19     43.895999908   61.669998169   28.937999725 R89  89     HC      H   0.060
2849C10     43.897998810   60.474998474   30.722000122 R89  89     CT      C  -0.180
2850H20     44.250000000   61.268001556   31.347999573 R89  89     HC      H   0.060
2851H21     44.319999695   59.547000885   31.049999237 R89  89     HC      H   0.060
2852H22     42.831001282   60.419998169   30.781000137 R89  89     HC      H   0.060
2853C1      60.228000641    7.670000076   71.206001282 R90  90     CT      C  -0.180
2854H1      59.582000732    6.954999924   70.741996765 R90  90     HC      H   0.060
2855H2      61.247001648    7.388000011   71.044998169 R90  90     HC      H   0.060
2856H3      60.027999878    7.701000214   72.257003784 R90  90     HC      H   0.060
2857C2      59.977001190    9.062000275   70.596000671 R90  90     CT      C  -0.120
2858H4      58.958000183    9.343000412   70.757003784 R90  90     HC      H   0.060
2859H5      60.623001099    9.777000427   71.060997009 R90  90     HC      H   0.060
2860C3      60.264999390    9.017000198   69.083999634 R90  90     CT      C  -0.120
2861H6      59.618999481    8.303000450   68.617996216 R90  90     HC      H   0.060
2862H7      61.284999847    8.736000061   68.922996521 R90  90     HC      H   0.060
2863C4      60.015998840   10.409000397   68.472000122 R90  90     CT      C  -0.120
2864H8      60.660999298   11.125000000   68.938003540 R90  90     HC      H   0.060
2865H9      58.994998932   10.690999985   68.633003235 R90  90     HC      H   0.060
2866C5      60.303001404   10.364999771   66.959999084 R90  90     CT      C  -0.120
2867H10     59.658000946    9.649999619   66.495002747 R90  90     HC      H   0.060
2868H11     61.323001862   10.083000183   66.799003601 R90  90     HC      H   0.060
2869C6      60.053001404   11.755999565   66.349998474 R90  90     CT      C  -0.120
2870H12     60.698001862   12.472000122   66.814002991 R90  90     HC      H   0.060
2871H13     59.033000946   12.038000107   66.511001587 R90  90     HC      H   0.060
2872C7      60.340000153   11.711999893   64.837997437 R90  90     CT      C  -0.120
2873H14     59.694999695   10.996999741   64.372001648 R90  90     HC      H   0.060
2874H15     61.360000610   11.430000305   64.677001953 R90  90     HC      H   0.060
2875C8      60.090000153   13.102999687   64.225997925 R90  90     CT      C  -0.120
2876H16     60.735000610   13.819000244   64.691001892 R90  90     HC      H   0.060
2877H17     59.070999146   13.385000229   64.387001038 R90  90     HC      H   0.060
2878C9      60.377998352   13.059000015   62.714000702 R90  90     CT      C  -0.120
2879H18     59.731998444   12.343999863   62.249000549 R90  90     HC      H   0.060
2880H19     61.397998810   12.777999878   62.553001404 R90  90     HC      H   0.060
2881C10     60.127998352   14.451000214   62.103000641 R90  90     CT      C  -0.180
2882H20     60.773998260   15.166999817   62.568000793 R90  90     HC      H   0.060
2883H21     59.108001709   14.732000351   62.263999939 R90  90     HC      H   0.060
2884H22     60.327999115   14.420000076   61.051998138 R90  90     HC      H   0.060
2885C1      33.001998901   73.216003418   31.836000443 R91  91     CT      C  -0.180
2886H1      33.486000061   73.654998779   32.682998657 R91  91     HC      H   0.060
2887H2      33.472999573   73.557998657   30.938999176 R91  91     HC      H   0.060
2888H3      31.971000671   73.499000549   31.827999115 R91  91     HC      H   0.060
2889C2      33.111000061   71.681999207   31.920999527 R91  91     CT      C  -0.120
2890H4      32.639999390   71.339996338   32.819000244 R91  91     HC      H   0.060
2891H5      32.625999451   71.241996765   31.075000763 R91  91     HC      H   0.060
2892C3      34.596000671   71.273002625   31.933000565 R91  91     CT      C  -0.120
2893H6      35.080001831   71.711997986   32.778999329 R91  91     HC      H   0.060
2894H7      35.067001343   71.614997864   31.034000397 R91  91     HC      H   0.060
2895C4      34.706001282   69.738998413   32.016998291 R91  91     CT      C  -0.120
2896H8      34.221000671   69.299003601   31.170000076 R91  91     HC      H   0.060
2897H9      34.235000610   69.397003174   32.915000916 R91  91     HC      H   0.060
2898C5      36.191001892   69.331001282   32.027999878 R91  91     CT      C  -0.120
2899H10     36.674999237   69.769996643   32.875000000 R91  91     HC      H   0.060
2900H11     36.660999298   69.672996521   31.129999161 R91  91     HC      H   0.060
2901C6      36.299999237   67.796997070   32.112998962 R91  91     CT      C  -0.120
2902H12     35.816001892   67.357002258   31.266000748 R91  91     HC      H   0.060
2903H13     35.828998566   67.455001831   33.009998322 R91  91     HC      H   0.060
2904C7      37.784000397   67.388000488   32.124000549 R91  91     CT      C  -0.120
2905H14     38.269001007   67.827003479   32.971000671 R91  91     HC      H   0.060
2906H15     38.255001068   67.730003357   31.225999832 R91  91     HC      H   0.060
2907C8      37.894001007   65.853996277   32.208999634 R91  91     CT      C  -0.120
2908H16     37.409999847   65.415000916   31.361999512 R91  91     HC      H   0.060
2909H17     37.423000336   65.512001038   33.105998993 R91  91     HC      H   0.060
2910C9      39.379001617   65.445999146   32.220001221 R91  91     CT      C  -0.120
2911H18     39.863998413   65.885002136   33.067001343 R91  91     HC      H   0.060
2912H19     39.849998474   65.788002014   31.322000504 R91  91     HC      H   0.060
2913C10     39.488998413   63.911998749   32.304000854 R91  91     CT      C  -0.180
2914H20     39.004001617   63.472000122   31.457000732 R91  91     HC      H   0.060
2915H21     39.018001556   63.569999695   33.202999115 R91  91     HC      H   0.060
2916H22     40.520999908   63.627998352   32.312000275 R91  91     HC      H   0.060
2917C1      24.670999527   64.491996765   70.533996582 R92  92     CT      C  -0.180
2918H1      24.523000717   65.424003601   70.031997681 R92  92     HC      H   0.060
2919H2      24.200000763   63.708000183   69.978996277 R92  92     HC      H   0.060
2920H3      24.243000031   64.541999817   71.513000488 R92  92     HC      H   0.060
2921C2      26.180000305   64.205001831   70.650001526 R92  92     CT      C  -0.120
2922H4      26.650999069   64.987998962   71.205001831 R92  92     HC      H   0.060
2923H5      26.327999115   63.271999359   71.152999878 R92  92     HC      H   0.060
2924C3      26.797000885   64.130996704   69.240997314 R92  92     CT      C  -0.120
2925H6      26.649000168   65.064002991   68.737998962 R92  92     HC      H   0.060
2926H7      26.326000214   63.347000122   68.684997559 R92  92     HC      H   0.060
2927C4      28.305999756   63.842998505   69.355003357 R92  92     CT      C  -0.120
2928H8      28.454000473   62.909999847   69.859001160 R92  92     HC      H   0.060
2929H9      28.777000427   64.627998352   69.911003113 R92  92     HC      H   0.060
2930C5      28.923000336   63.770000458   67.945999146 R92  92     CT      C  -0.120
2931H10     28.774999619   64.703002930   67.443000793 R92  92     HC      H   0.060
2932H11     28.451999664   62.986000061   67.390998840 R92  92     HC      H   0.060
2933C6      30.431999207   63.483001709   68.061996460 R92  92     CT      C  -0.120
2934H12     30.579999924   62.549999237   68.564002991 R92  92     HC      H   0.060
2935H13     30.902000427   64.265998840   68.616996765 R92  92     HC      H   0.060
2936C7      31.048999786   63.409999847   66.652000427 R92  92     CT      C  -0.120
2937H14     30.900999069   64.342002869   66.149002075 R92  92     HC      H   0.060
2938H15     30.577999115   62.625999451   66.097000122 R92  92     HC      H   0.060
2939C8      32.557998657   63.122001648   66.766998291 R92  92     CT      C  -0.120
2940H16     32.706001282   62.189998627   67.271003723 R92  92     HC      H   0.060
2941H17     33.028999329   63.905998230   67.321998596 R92  92     HC      H   0.060
2942C9      33.174999237   63.048999786   65.358001709 R92  92     CT      C  -0.120
2943H18     33.027000427   63.981998444   64.855003357 R92  92     HC      H   0.060
2944H19     32.703998566   62.264999390   64.803001404 R92  92     HC      H   0.060
2945C10     34.683998108   62.761001587   65.472999573 R92  92     CT      C  -0.180
2946H20     34.832000732   61.827999115   65.975997925 R92  92     HC      H   0.060
2947H21     35.154998779   63.546001434   66.027999878 R92  92     HC      H   0.060
2948H22     35.111999512   62.709999084   64.492996216 R92  92     HC      H   0.060
2949C1      31.167999268   29.368000031   28.929000854 R93  93     CT      C  -0.180
2950H1      31.093999863   28.309000015   28.804000854 R93  93     HC      H   0.060
2951H2      30.250999451   29.829000473   28.627000809 R93  93     HC      H   0.060
2952H3      31.969999313   29.743000031   28.329000473 R93  93     HC      H   0.060
2953C2      31.441999435   29.691999435   30.409999847 R93  93     CT      C  -0.120
2954H4      32.358001709   29.231000900   30.711999893 R93  93     HC      H   0.060
2955H5      31.517000198   30.752000809   30.535999298 R93  93     HC      H   0.060
2956C3      30.287000656   29.152999878   31.274000168 R93  93     CT      C  -0.120
2957H6      30.211999893   28.093000412   31.149000168 R93  93     HC      H   0.060
2958H7      29.368999481   29.614000320   30.972000122 R93  93     HC      H   0.060
2959C4      30.559000015   29.476999283   32.755001068 R93  93     CT      C  -0.120
2960H8      30.634000778   30.537000656   32.881000519 R93  93     HC      H   0.060
2961H9      31.476999283   29.016000748   33.057998657 R93  93     HC      H   0.060
2962C5      29.403999329   28.937999725   33.619998932 R93  93     CT      C  -0.120
2963H10     29.329000473   27.878000259   33.494998932 R93  93     HC      H   0.060
2964H11     28.486999512   29.399000168   33.318000793 R93  93     HC      H   0.060
2965C6      29.677999496   29.261999130   35.099998474 R93  93     CT      C  -0.120
2966H12     29.753000259   30.320999146   35.227001190 R93  93     HC      H   0.060
2967H13     30.594999313   28.801000595   35.402999878 R93  93     HC      H   0.060
2968C7      28.523000717   28.722999573   35.965000153 R93  93     CT      C  -0.120
2969H14     28.447999954   27.663000107   35.840000153 R93  93     HC      H   0.060
2970H15     27.606000900   29.183000565   35.661998749 R93  93     HC      H   0.060
2971C8      28.795999527   29.045999527   37.445999146 R93  93     CT      C  -0.120
2972H16     28.871000290   30.106000900   37.571998596 R93  93     HC      H   0.060
2973H17     29.712999344   28.584999084   37.748001099 R93  93     HC      H   0.060
2974C9      27.641000748   28.506999969   38.310001373 R93  93     CT      C  -0.120
2975H18     27.565999985   27.447000504   38.185001373 R93  93     HC      H   0.060
2976H19     26.724000931   28.968000412   38.007999420 R93  93     HC      H   0.060
2977C10     27.913999557   28.830999374   39.791000366 R93  93     CT      C  -0.180
2978H20     27.989000320   29.891000748   39.916999817 R93  93     HC      H   0.060
2979H21     28.830999374   28.370000839   40.094001770 R93  93     HC      H   0.060
2980H22     27.111000061   28.455999374   40.391998291 R93  93     HC      H   0.060
2981C1      57.837001801   63.721000671   62.312999725 R94  94     CT      C  -0.180
2982H1      57.037998199   63.321998596   61.724998474 R94  94     HC      H   0.060
2983H2      57.486000061   63.921001434   63.303001404 R94  94     HC      H   0.060
2984H3      58.186000824   64.629997253   61.868000031 R94  94     HC      H   0.060
2985C2      58.990001678   62.701999664   62.370998383 R94  94     CT      C  -0.120
2986H4      59.340000153   62.502998352   61.380001068 R94  94     HC      H   0.060
2987H5      59.790000916   63.102001190   62.958000183 R94  94     HC      H   0.060
2988C3      58.486999512   61.395000458   63.011001587 R94  94     CT      C  -0.120
2989H6      57.687000275   60.994998932   62.423999786 R94  94     HC      H   0.060
2990H7      58.137001038   61.595001221   64.002998352 R94  94     HC      H   0.060
2991C4      59.639999390   60.375999451   63.070999146 R94  94     CT      C  -0.120
2992H8      60.441001892   60.776000977   63.658000946 R94  94     HC      H   0.060
2993H9      59.990001678   60.175998688   62.078998566 R94  94     HC      H   0.060
2994C5      59.137001038   59.069000244   63.710998535 R94  94     CT      C  -0.120
2995H10     58.338001251   58.667999268   63.124000549 R94  94     HC      H   0.060
2996H11     58.786998749   59.268001556   64.702003479 R94  94     HC      H   0.060
2997C6      60.290000916   58.049999237   63.770000458 R94  94     CT      C  -0.120
2998H12     61.090000153   58.449001312   64.357002258 R94  94     HC      H   0.060
2999H13     60.640998840   57.849998474   62.778999329 R94  94     HC      H   0.060
3000C7      59.786998749   56.742000580   64.410003662 R94  94     CT      C  -0.120
3001H14     58.987998962   56.341999054   63.823001862 R94  94     HC      H   0.060
3002H15     59.437000275   56.942001343   65.401000977 R94  94     HC      H   0.060
3003C8      60.939998627   55.722999573   64.469001770 R94  94     CT      C  -0.120
3004H16     61.741001129   56.123001099   65.055999756 R94  94     HC      H   0.060
3005H17     61.290000916   55.522998810   63.478000641 R94  94     HC      H   0.060
3006C9      60.437000275   54.415000916   65.109001160 R94  94     CT      C  -0.120
3007H18     59.638000488   54.014999390   64.522003174 R94  94     HC      H   0.060
3008H19     60.087001801   54.616001129   66.100997925 R94  94     HC      H   0.060
3009C10     61.590000153   53.395999908   65.168998718 R94  94     CT      C  -0.180
3010H20     62.390998840   53.796001434   65.755996704 R94  94     HC      H   0.060
3011H21     61.939998627   53.195999146   64.177001953 R94  94     HC      H   0.060
3012H22     61.241001129   52.487998962   65.612998962 R94  94     HC      H   0.060
3013C1      59.411998749   42.499000549   25.827999115 R95  95     CT      C  -0.180
3014H1      59.207000732   43.409999847   25.306999207 R95  95     HC      H   0.060
3015H2      59.627998352   42.714000702   26.853000641 R95  95     HC      H   0.060
3016H3      60.254001617   42.013999939   25.379999161 R95  95     HC      H   0.060
3017C2      58.183998108   41.573001862   25.745000839 R95  95     CT      C  -0.120
3018H4      57.967998505   41.356998444   24.719999313 R95  95     HC      H   0.060
3019H5      58.389999390   40.659999847   26.264999390 R95  95     HC      H   0.060
3020C3      56.972000122   42.270000458   26.391000748 R95  95     CT      C  -0.120
3021H6      56.765998840   43.180999756   25.871000290 R95  95     HC      H   0.060
3022H7      57.188999176   42.484001160   27.416999817 R95  95     HC      H   0.060
3023C4      55.743999481   41.342998505   26.309999466 R95  95     CT      C  -0.120
3024H8      55.950000763   40.430999756   26.829999924 R95  95     HC      H   0.060
3025H9      55.527999878   41.129001617   25.283000946 R95  95     HC      H   0.060
3026C5      54.532001495   42.040000916   26.954999924 R95  95     CT      C  -0.120
3027H10     54.326000214   42.951999664   26.434999466 R95  95     HC      H   0.060
3028H11     54.748001099   42.256000519   27.979999542 R95  95     HC      H   0.060
3029C6      53.304000854   41.113998413   26.871999741 R95  95     CT      C  -0.120
3030H12     53.508998871   40.201999664   27.392999649 R95  95     HC      H   0.060
3031H13     53.088001251   40.898998260   25.847000122 R95  95     HC      H   0.060
3032C7      52.091999054   41.811000824   27.517999649 R95  95     CT      C  -0.120
3033H14     51.886001587   42.722999573   26.996999741 R95  95     HC      H   0.060
3034H15     52.307998657   42.026000977   28.542999268 R95  95     HC      H   0.060
3035C8      50.863998413   40.884998322   27.434999466 R95  95     CT      C  -0.120
3036H16     51.069000244   39.972999573   27.954999924 R95  95     HC      H   0.060
3037H17     50.646999359   40.669998169   26.409999847 R95  95     HC      H   0.060
3038C9      49.652000427   41.583000183   28.080999374 R95  95     CT      C  -0.120
3039H18     49.444999695   42.493999481   27.561000824 R95  95     HC      H   0.060
3040H19     49.868000031   41.797000885   29.107000351 R95  95     HC      H   0.060
3041C10     48.423000336   40.655998230   27.999000549 R95  95     CT      C  -0.180
3042H20     48.629001617   39.743999481   28.518999100 R95  95     HC      H   0.060
3043H21     48.207000732   40.442001343   26.972999573 R95  95     HC      H   0.060
3044H22     47.581001282   41.140998840   28.447999954 R95  95     HC      H   0.060
3045C1      19.712999344   67.276000977   52.671001434 R96  96     CT      C  -0.180
3046H1      18.802000046   66.714996338   52.675998688 R96  96     HC      H   0.060
3047H2      20.354000092   66.922996521   53.451000214 R96  96     HC      H   0.060
3048H3      19.495000839   68.310997009   52.830001831 R96  96     HC      H   0.060
3049C2      20.415000916   67.102996826   51.311000824 R96  96     CT      C  -0.120
3050H4      19.774000168   67.456001282   50.530998230 R96  96     HC      H   0.060
3051H5      21.326000214   67.665000916   51.305999756 R96  96     HC      H   0.060
3052C3      20.729000092   65.612998962   51.083000183 R96  96     CT      C  -0.120
3053H6      19.819000244   65.051002502   51.087001801 R96  96     HC      H   0.060
3054H7      21.371000290   65.260002136   51.862998962 R96  96     HC      H   0.060
3055C4      21.431999207   65.439002991   49.722999573 R96  96     CT      C  -0.120
3056H8      22.343000412   66.000999451   49.717998505 R96  96     HC      H   0.060
3057H9      20.790000916   65.791999817   48.943000793 R96  96     HC      H   0.060
3058C5      21.746999741   63.949001312   49.494998932 R96  96     CT      C  -0.120
3059H10     20.836000443   63.388000488   49.499000549 R96  96     HC      H   0.060
3060H11     22.388000488   63.596000671   50.275001526 R96  96     HC      H   0.060
3061C6      22.448999405   63.776000977   48.134998322 R96  96     CT      C  -0.120
3062H12     23.360000610   64.336997986   48.129001617 R96  96     HC      H   0.060
3063H13     21.808000565   64.128997803   47.354999542 R96  96     HC      H   0.060
3064C7      22.763000488   62.285999298   47.905998230 R96  96     CT      C  -0.120
3065H14     21.853000641   61.724998474   47.910999298 R96  96     HC      H   0.060
3066H15     23.403999329   61.932998657   48.686000824 R96  96     HC      H   0.060
3067C8      23.465000153   62.111999512   46.546001434 R96  96     CT      C  -0.120
3068H16     24.375999451   62.673999786   46.540000916 R96  96     HC      H   0.060
3069H17     22.823999405   62.465999603   45.765998840 R96  96     HC      H   0.060
3070C9      23.780000687   60.622001648   46.317001343 R96  96     CT      C  -0.120
3071H18     22.868999481   60.061000824   46.321998596 R96  96     HC      H   0.060
3072H19     24.422000885   60.269001007   47.097999573 R96  96     HC      H   0.060
3073C10     24.482999802   60.449001312   44.958000183 R96  96     CT      C  -0.180
3074H20     25.393999100   61.011001587   44.951999664 R96  96     HC      H   0.060
3075H21     23.840999603   60.801998138   44.176998138 R96  96     HC      H   0.060
3076H22     24.701000214   59.412998199   44.798999786 R96  96     HC      H   0.060
3077C1      51.869998932   24.072999954   33.805999756 R97  97     CT      C  -0.180
3078H1      51.646999359   24.666000366   32.944999695 R97  97     HC      H   0.060
3079H2      51.251998901   23.200000763   33.808998108 R97  97     HC      H   0.060
3080H3      51.683998108   24.645000458   34.691001892 R97  97     HC      H   0.060
3081C2      53.352001190   23.652000427   33.770999908 R97  97     CT      C  -0.120
3082H4      53.970001221   24.524999619   33.768001556 R97  97     HC      H   0.060
3083H5      53.575000763   23.059999466   34.632999420 R97  97     HC      H   0.060
3084C3      53.619998932   22.827999115   32.497001648 R97  97     CT      C  -0.120
3085H6      53.396999359   23.420999527   31.635000229 R97  97     HC      H   0.060
3086H7      53.000999451   21.954999924   32.500999451 R97  97     HC      H   0.060
3087C4      55.101001740   22.406999588   32.460998535 R97  97     CT      C  -0.120
3088H8      55.325000763   21.813999176   33.323001862 R97  97     HC      H   0.060
3089H9      55.719001770   23.280000687   32.458000183 R97  97     HC      H   0.060
3090C5      55.368999481   21.583000183   31.187999725 R97  97     CT      C  -0.120
3091H10     55.145999908   22.174999237   30.326000214 R97  97     HC      H   0.060
3092H11     54.750000000   20.709999084   31.190999985 R97  97     HC      H   0.060
3093C6      56.849998474   21.162000656   31.152000427 R97  97     CT      C  -0.120
3094H12     57.074001312   20.569000244   32.013000488 R97  97     HC      H   0.060
3095H13     57.467998505   22.034999847   31.149000168 R97  97     HC      H   0.060
3096C7      57.118000031   20.337999344   29.878999710 R97  97     CT      C  -0.120
3097H14     56.895000458   20.930999756   29.016000748 R97  97     HC      H   0.060
3098H15     56.499000549   19.465999603   29.881999969 R97  97     HC      H   0.060
3099C8      58.598999023   19.916999817   29.841999054 R97  97     CT      C  -0.120
3100H16     58.823001862   19.325000763   30.704000473 R97  97     HC      H   0.060
3101H17     59.217998505   20.790000916   29.839000702 R97  97     HC      H   0.060
3102C9      58.867000580   19.093000412   28.569000244 R97  97     CT      C  -0.120
3103H18     58.644001007   19.686000824   27.705999374 R97  97     HC      H   0.060
3104H19     58.248001099   18.219999313   28.572000504 R97  97     HC      H   0.060
3105C10     60.347999573   18.672000885   28.531999588 R97  97     CT      C  -0.180
3106H20     60.571998596   18.079000473   29.395000458 R97  97     HC      H   0.060
3107H21     60.966999054   19.545000076   28.528999329 R97  97     HC      H   0.060
3108H22     60.534000397   18.099000931   27.648000717 R97  97     HC      H   0.060
3109C1      25.809000015   72.030998230   42.188999176 R98  98     CT      C  -0.180
3110H1      25.898000717   71.849998474   41.138999939 R98  98     HC      H   0.060
3111H2      25.211000443   71.264999390   42.634998322 R98  98     HC      H   0.060
3112H3      25.347000122   72.983001709   42.348999023 R98  98     HC      H   0.060
3113C2      27.208999634   72.027000427   42.831001282 R98  98     CT      C  -0.120
3114H4      27.808000565   72.793998718   42.386001587 R98  98     HC      H   0.060
3115H5      27.121000290   72.208999634   43.881999969 R98  98     HC      H   0.060
3116C3      27.874000549   70.656997681   42.602001190 R98  98     CT      C  -0.120
3117H6      27.964000702   70.474998474   41.551998138 R98  98     HC      H   0.060
3118H7      27.274999619   69.890998840   43.048000336 R98  98     HC      H   0.060
3119C4      29.274000168   70.652000427   43.244998932 R98  98     CT      C  -0.120
3120H8      29.186000824   70.834999084   44.296001434 R98  98     HC      H   0.060
3121H9      29.874000549   71.418998718   42.798999786 R98  98     HC      H   0.060
3122C5      29.940000534   69.281997681   43.014999390 R98  98     CT      C  -0.120
3123H10     30.028999329   69.099998474   41.965000153 R98  98     HC      H   0.060
3124H11     29.340999603   68.515998840   43.460998535 R98  98     HC      H   0.060
3125C6      31.339000702   69.278999329   43.658000946 R98  98     CT      C  -0.120
3126H12     31.250999451   69.459999084   44.708000183 R98  98     HC      H   0.060
3127H13     31.937999725   70.044998169   43.212001801 R98  98     HC      H   0.060
3128C7      32.005001068   67.908996582   43.428001404 R98  98     CT      C  -0.120
3129H14     32.094001770   67.726997375   42.377998352 R98  98     HC      H   0.060
3130H15     31.406000137   67.141998291   43.873001099 R98  98     HC      H   0.060
3131C8      33.404998779   67.903999329   44.069999695 R98  98     CT      C  -0.120
3132H16     33.316001892   68.085998535   45.120998383 R98  98     HC      H   0.060
3133H17     34.004001617   68.669998169   43.625000000 R98  98     HC      H   0.060
3134C9      34.069999695   66.533996582   43.840999603 R98  98     CT      C  -0.120
3135H18     34.159000397   66.351997375   42.790000916 R98  98     HC      H   0.060
3136H19     33.471000671   65.766998291   44.286998749 R98  98     HC      H   0.060
3137C10     35.470001221   66.528999329   44.484001160 R98  98     CT      C  -0.180
3138H20     35.381000519   66.710998535   45.534000397 R98  98     HC      H   0.060
3139H21     36.069000244   67.295997620   44.036998749 R98  98     HC      H   0.060
3140H22     35.931999207   65.577003479   44.324001312 R98  98     HC      H   0.060
3141C1      53.351001740   34.569000244   72.694999695 R99  99     CT      C  -0.180
3142H1      53.912998199   33.817001343   72.182998657 R99  99     HC      H   0.060
3143H2      53.965000153   35.431999207   72.848999023 R99  99     HC      H   0.060
3144H3      53.027000427   34.188999176   73.641998291 R99  99     HC      H   0.060
3145C2      52.123001099   34.957000732   71.850997925 R99  99     CT      C  -0.120
3146H4      51.508998871   34.094001770   71.697998047 R99  99     HC      H   0.060
3147H5      51.558998108   35.708000183   72.363998413 R99  99     HC      H   0.060
3148C3      52.589000702   35.504001617   70.488998413 R99  99     CT      C  -0.120
3149H6      53.151000977   34.751998901   69.975997925 R99  99     HC      H   0.060
3150H7      53.202999115   36.367000580   70.642997742 R99  99     HC      H   0.060
3151C4      51.361000061   35.891998291   69.643997192 R99  99     CT      C  -0.120
3152H8      50.798000336   36.644001007   70.156997681 R99  99     HC      H   0.060
3153H9      50.747001648   35.028999329   69.490997314 R99  99     HC      H   0.060
3154C5      51.826999664   36.439998627   68.281997681 R99  99     CT      C  -0.120
3155H10     52.388999939   35.687999725   67.768997192 R99  99     HC      H   0.060
3156H11     52.441001892   37.301998138   68.435997009 R99  99     HC      H   0.060
3157C6      50.597999573   36.826999664   67.438003540 R99  99     CT      C  -0.120
3158H12     50.035999298   37.578998566   67.949996948 R99  99     HC      H   0.060
3159H13     49.985000610   35.964000702   67.285003662 R99  99     HC      H   0.060
3160C7      51.064998627   37.374000549   66.075996399 R99  99     CT      C  -0.120
3161H14     51.626998901   36.622001648   65.563003540 R99  99     HC      H   0.060
3162H15     51.678001404   38.236000061   66.228996277 R99  99     HC      H   0.060
3163C8      49.835998535   37.761001587   65.231002808 R99  99     CT      C  -0.120
3164H16     49.272998810   38.513000488   65.744003296 R99  99     HC      H   0.060
3165H17     49.222999573   36.898998260   65.078002930 R99  99     HC      H   0.060
3166C9      50.303001404   38.308998108   63.868999481 R99  99     CT      C  -0.120
3167H18     50.865001678   37.556999207   63.355998993 R99  99     HC      H   0.060
3168H19     50.916999817   39.172000885   64.023002625 R99  99     HC      H   0.060
3169C10     49.075000763   38.696998596   63.023998260 R99  99     CT      C  -0.180
3170H20     48.511001587   39.449001312   63.536998749 R99  99     HC      H   0.060
3171H21     48.460998535   37.833999634   62.869998932 R99  99     HC      H   0.060
3172H22     49.398998260   39.076999664   62.077999115 R99  99     HC      H   0.060
3173C1      24.412000656   31.329000473   67.873001099 R100 100    CT      C  -0.180
3174H1      23.995000839   31.610000610   68.816001892 R100 100    HC      H   0.060
3175H2      23.798000336   30.580999374   67.418998718 R100 100    HC      H   0.060
3176H3      25.398000717   30.940999985   68.021003723 R100 100    HC      H   0.060
3177C2      24.481000900   32.563999176   66.954002380 R100 100    CT      C  -0.120
3178H4      25.094999313   33.312999725   67.408996582 R100 100    HC      H   0.060
3179H5      24.899999619   32.284000397   66.010002136 R100 100    HC      H   0.060
3180C3      23.062000275   33.123001099   66.740997314 R100 100    CT      C  -0.120
3181H6      22.643999100   33.403999329   67.684997559 R100 100    HC      H   0.060
3182H7      22.447999954   32.374000549   66.286003113 R100 100    HC      H   0.060
3183C4      23.129999161   34.358001709   65.821998596 R100 100    CT      C  -0.120
3184H8      23.548000336   34.077999115   64.877998352 R100 100    HC      H   0.060
3185H9      23.743999481   35.106998444   66.277000427 R100 100    HC      H   0.060
3186C5      21.711000443   34.916999817   65.609001160 R100 100    CT      C  -0.120
3187H10     21.291999817   35.198001862   66.552001953 R100 100    HC      H   0.060
3188H11     21.097000122   34.167999268   65.154998779 R100 100    HC      H   0.060
3189C6      21.778999329   36.152000427   64.691001892 R100 100    CT      C  -0.120
3190H12     22.197000504   35.872001648   63.745998383 R100 100    HC      H   0.060
3191H13     22.393999100   36.900001526   65.144996643 R100 100    HC      H   0.060
3192C7      20.360000610   36.710998535   64.476997375 R100 100    CT      C  -0.120
3193H14     19.941999435   36.992000580   65.420997620 R100 100    HC      H   0.060
3194H15     19.746000290   35.962001801   64.023002625 R100 100    HC      H   0.060
3195C8      20.427999496   37.945999146   63.558998108 R100 100    CT      C  -0.120
3196H16     20.847000122   37.666000366   62.615001678 R100 100    HC      H   0.060
3197H17     21.041999817   38.694999695   64.013000488 R100 100    HC      H   0.060
3198C9      19.009000778   38.505001068   63.346000671 R100 100    CT      C  -0.120
3199H18     18.590999603   38.785999298   64.289001465 R100 100    HC      H   0.060
3200H19     18.395000458   37.756000519   62.890998840 R100 100    HC      H   0.060
3201C10     19.076999664   39.740001678   62.425998688 R100 100    CT      C  -0.180
3202H20     19.496000290   39.459999084   61.481998444 R100 100    HC      H   0.060
3203H21     19.690999985   40.488998413   62.881000519 R100 100    HC      H   0.060
3204H22     18.090999603   40.127998352   62.277999878 R100 100    HC      H   0.060
3205end
3206end
3207