1  216  Butane
2    1  C      2.024804   -1.941602   -0.148553    83    2
3    2  C      2.517484   -0.485602   -0.496224    86    1    3
4    3  C      1.592516    0.485602    0.496224    86    2    4
5    4  C      2.085196    1.941602    0.148553    83    3
6    5  C      3.962974   -1.868898   -3.702965    83    6
7    6  C      4.455654   -3.324898   -4.050636    86    5    7
8    7  C      3.530686   -4.296102   -3.058189    86    6    8
9    8  C      4.023366   -5.752102   -3.405860    83    7
10    9  C     -2.085196   -9.562602   -0.148553    83   10
11   10  C     -1.592516   -8.106602   -0.496224    86    9   11
12   11  C     -2.517484   -7.135398    0.496224    86   10   12
13   12  C     -2.024804   -5.679398    0.148553    83   11
14   13  C     -0.147026   -9.489898   -3.702965    83   14
15   14  C      0.345654  -10.945898   -4.050636    86   13   15
16   15  C     -0.579314  -11.917102   -3.058189    86   14   16
17   16  C     -0.086634  -13.373102   -3.405860    83   15
18   17  C     -2.085196   -1.941602   -0.148553    83   18
19   18  C     -1.592516   -0.485602   -0.496224    86   17   19
20   19  C     -2.517484    0.485602    0.496224    86   18   20
21   20  C     -2.024804    1.941602    0.148553    83   19
22   21  C     -0.147026   -1.868898   -3.702965    83   22
23   22  C      0.345654   -3.324898   -4.050636    86   21   23
24   23  C     -0.579314   -4.296102   -3.058189    86   22   24
25   24  C     -0.086634   -5.752102   -3.405860    83   23
26   25  C      2.024804   -9.562602   -0.148553    83   26
27   26  C      2.517484   -8.106602   -0.496224    86   25   27
28   27  C      1.592516   -7.135398    0.496224    86   26   28
29   28  C      2.085196   -5.679398    0.148553    83   27
30   29  C      3.962974   -9.489898   -3.702965    83   30
31   30  C      4.455654  -10.945898   -4.050636    86   29   31
32   31  C      3.530686  -11.917102   -3.058189    86   30   32
33   32  C      4.023366  -13.373102   -3.405860    83   31
34   33  C      6.134804   -9.562602   -0.148553    83   34
35   34  C      6.627484   -8.106602   -0.496224    86   33   35
36   35  C      5.702516   -7.135398    0.496224    86   34   36
37   36  C      6.195196   -5.679398    0.148553    83   35
38   37  C      8.072974   -9.489898   -3.702965    83   38
39   38  C      8.565654  -10.945898   -4.050636    86   37   39
40   39  C      7.640686  -11.917102   -3.058189    86   38   40
41   40  C      8.133366  -13.373102   -3.405860    83   39
42   41  C     -2.085196    5.679398   -0.148553    83   42
43   42  C     -1.592516    7.135398   -0.496224    86   41   43
44   43  C     -2.517484    8.106602    0.496224    86   42   44
45   44  C     -2.024804    9.562602    0.148553    83   43
46   45  C     -0.147026    5.752102   -3.702965    83   46
47   46  C      0.345654    4.296102   -4.050636    86   45   47
48   47  C     -0.579314    3.324898   -3.058189    86   46   48
49   48  C     -0.086634    1.868898   -3.405860    83   47
50   49  C      6.134804   -1.941602   -0.148553    83   50
51   50  C      6.627484   -0.485602   -0.496224    86   49   51
52   51  C      5.702516    0.485602    0.496224    86   50   52
53   52  C      6.195196    1.941602    0.148553    83   51
54   53  C      8.072974   -1.868898   -3.702965    83   54
55   54  C      8.565654   -3.324898   -4.050636    86   53   55
56   55  C      7.640686   -4.296102   -3.058189    86   54   56
57   56  C      8.133366   -5.752102   -3.405860    83   55
58   57  C      2.024804    5.679398   -0.148553    83   58
59   58  C      2.517484    7.135398   -0.496224    86   57   59
60   59  C      1.592516    8.106602    0.496224    86   58   60
61   60  C      2.085196    9.562602    0.148553    83   59
62   61  C      3.962974    5.752102   -3.702965    83   62
63   62  C      4.455654    4.296102   -4.050636    86   61   63
64   63  C      3.530686    3.324898   -3.058189    86   62   64
65   64  C      4.023366    1.868898   -3.405860    83   63
66   65  C      6.134804    5.679398   -0.148553    83   66
67   66  C      6.627484    7.135398   -0.496224    86   65   67
68   67  C      5.702516    8.106602    0.496224    86   66   68
69   68  C      6.195196    9.562602    0.148553    83   67
70   69  C      8.072974    5.752102   -3.702965    83   70
71   70  C      8.565654    4.296102   -4.050636    86   69   71
72   71  C      7.640686    3.324898   -3.058189    86   70   72
73   72  C      8.133366    1.868898   -3.405860    83   71
74   73  C      5.901144   -1.941602   -7.257378    83   74
75   74  C      6.393824   -0.485602   -7.605049    86   73   75
76   75  C      5.468856    0.485602   -6.612601    86   74   76
77   76  C      5.961536    1.941602   -6.960272    83   75
78   77  C      7.839314   -1.868898  -10.811790    83   78
79   78  C      8.331994   -3.324898  -11.159461    86   77   79
80   79  C      7.407026   -4.296102  -10.167014    86   78   80
81   80  C      7.899706   -5.752102  -10.514685    83   79
82   81  C      1.791144   -9.562602   -7.257378    83   82
83   82  C      2.283824   -8.106602   -7.605049    86   81   83
84   83  C      1.358856   -7.135398   -6.612601    86   82   84
85   84  C      1.851536   -5.679398   -6.960272    83   83
86   85  C      3.729314   -9.489898  -10.811790    83   86
87   86  C      4.221994  -10.945898  -11.159461    86   85   87
88   87  C      3.297026  -11.917102  -10.167014    86   86   88
89   88  C      3.789706  -13.373102  -10.514685    83   87
90   89  C      1.791144   -1.941602   -7.257378    83   90
91   90  C      2.283824   -0.485602   -7.605049    86   89   91
92   91  C      1.358856    0.485602   -6.612601    86   90   92
93   92  C      1.851536    1.941602   -6.960272    83   91
94   93  C      3.729314   -1.868898  -10.811790    83   94
95   94  C      4.221994   -3.324898  -11.159461    86   93   95
96   95  C      3.297026   -4.296102  -10.167014    86   94   96
97   96  C      3.789706   -5.752102  -10.514685    83   95
98   97  C      5.901144   -9.562602   -7.257378    83   98
99   98  C      6.393824   -8.106602   -7.605049    86   97   99
100   99  C      5.468856   -7.135398   -6.612601    86   98  100
101  100  C      5.961536   -5.679398   -6.960272    83   99
102  101  C      7.839314   -9.489898  -10.811790    83  102
103  102  C      8.331994  -10.945898  -11.159461    86  101  103
104  103  C      7.407026  -11.917102  -10.167014    86  102  104
105  104  C      7.899706  -13.373102  -10.514685    83  103
106  105  C     10.011144   -9.562602   -7.257378    83  106
107  106  C     10.503824   -8.106602   -7.605049    86  105  107
108  107  C      9.578856   -7.135398   -6.612601    86  106  108
109  108  C     10.071536   -5.679398   -6.960272    83  107
110  109  C     11.949314   -9.489898  -10.811790    83  110
111  110  C     12.441994  -10.945898  -11.159461    86  109  111
112  111  C     11.517026  -11.917102  -10.167014    86  110  112
113  112  C     12.009706  -13.373102  -10.514685    83  111
114  113  C      1.791144    5.679398   -7.257378    83  114
115  114  C      2.283824    7.135398   -7.605049    86  113  115
116  115  C      1.358856    8.106602   -6.612601    86  114  116
117  116  C      1.851536    9.562602   -6.960272    83  115
118  117  C      3.729314    5.752102  -10.811790    83  118
119  118  C      4.221994    4.296102  -11.159461    86  117  119
120  119  C      3.297026    3.324898  -10.167014    86  118  120
121  120  C      3.789706    1.868898  -10.514685    83  119
122  121  C     10.011144   -1.941602   -7.257378    83  122
123  122  C     10.503824   -0.485602   -7.605049    86  121  123
124  123  C      9.578856    0.485602   -6.612601    86  122  124
125  124  C     10.071536    1.941602   -6.960272    83  123
126  125  C     11.949314   -1.868898  -10.811790    83  126
127  126  C     12.441994   -3.324898  -11.159461    86  125  127
128  127  C     11.517026   -4.296102  -10.167014    86  126  128
129  128  C     12.009706   -5.752102  -10.514685    83  127
130  129  C      5.901144    5.679398   -7.257378    83  130
131  130  C      6.393824    7.135398   -7.605049    86  129  131
132  131  C      5.468856    8.106602   -6.612601    86  130  132
133  132  C      5.961536    9.562602   -6.960272    83  131
134  133  C      7.839314    5.752102  -10.811790    83  134
135  134  C      8.331994    4.296102  -11.159461    86  133  135
136  135  C      7.407026    3.324898  -10.167014    86  134  136
137  136  C      7.899706    1.868898  -10.514685    83  135
138  137  C     10.011144    5.679398   -7.257378    83  138
139  138  C     10.503824    7.135398   -7.605049    86  137  139
140  139  C      9.578856    8.106602   -6.612601    86  138  140
141  140  C     10.071536    9.562602   -6.960272    83  139
142  141  C     11.949314    5.752102  -10.811790    83  142
143  142  C     12.441994    4.296102  -11.159461    86  141  143
144  143  C     11.517026    3.324898  -10.167014    86  142  144
145  144  C     12.009706    1.868898  -10.514685    83  143
146  145  C     -1.851536   -1.941602    6.960272    83  146
147  146  C     -1.358856   -0.485602    6.612601    86  145  147
148  147  C     -2.283824    0.485602    7.605049    86  146  148
149  148  C     -1.791144    1.941602    7.257378    83  147
150  149  C      0.086634   -1.868898    3.405860    83  150
151  150  C      0.579314   -3.324898    3.058189    86  149  151
152  151  C     -0.345654   -4.296102    4.050636    86  150  152
153  152  C      0.147026   -5.752102    3.702965    83  151
154  153  C     -5.961536   -9.562602    6.960272    83  154
155  154  C     -5.468856   -8.106602    6.612601    86  153  155
156  155  C     -6.393824   -7.135398    7.605049    86  154  156
157  156  C     -5.901144   -5.679398    7.257378    83  155
158  157  C     -4.023366   -9.489898    3.405860    83  158
159  158  C     -3.530686  -10.945898    3.058189    86  157  159
160  159  C     -4.455654  -11.917102    4.050636    86  158  160
161  160  C     -3.962974  -13.373102    3.702965    83  159
162  161  C     -5.961536   -1.941602    6.960272    83  162
163  162  C     -5.468856   -0.485602    6.612601    86  161  163
164  163  C     -6.393824    0.485602    7.605049    86  162  164
165  164  C     -5.901144    1.941602    7.257378    83  163
166  165  C     -4.023366   -1.868898    3.405860    83  166
167  166  C     -3.530686   -3.324898    3.058189    86  165  167
168  167  C     -4.455654   -4.296102    4.050636    86  166  168
169  168  C     -3.962974   -5.752102    3.702965    83  167
170  169  C     -1.851536   -9.562602    6.960272    83  170
171  170  C     -1.358856   -8.106602    6.612601    86  169  171
172  171  C     -2.283824   -7.135398    7.605049    86  170  172
173  172  C     -1.791144   -5.679398    7.257378    83  171
174  173  C      0.086634   -9.489898    3.405860    83  174
175  174  C      0.579314  -10.945898    3.058189    86  173  175
176  175  C     -0.345654  -11.917102    4.050636    86  174  176
177  176  C      0.147026  -13.373102    3.702965    83  175
178  177  C      2.258464   -9.562602    6.960272    83  178
179  178  C      2.751144   -8.106602    6.612601    86  177  179
180  179  C      1.826176   -7.135398    7.605049    86  178  180
181  180  C      2.318856   -5.679398    7.257378    83  179
182  181  C      4.196634   -9.489898    3.405860    83  182
183  182  C      4.689314  -10.945898    3.058189    86  181  183
184  183  C      3.764346  -11.917102    4.050636    86  182  184
185  184  C      4.257026  -13.373102    3.702965    83  183
186  185  C     -5.961536    5.679398    6.960272    83  186
187  186  C     -5.468856    7.135398    6.612601    86  185  187
188  187  C     -6.393824    8.106602    7.605049    86  186  188
189  188  C     -5.901144    9.562602    7.257378    83  187
190  189  C     -4.023366    5.752102    3.405860    83  190
191  190  C     -3.530686    4.296102    3.058189    86  189  191
192  191  C     -4.455654    3.324898    4.050636    86  190  192
193  192  C     -3.962974    1.868898    3.702965    83  191
194  193  C      2.258464   -1.941602    6.960272    83  194
195  194  C      2.751144   -0.485602    6.612601    86  193  195
196  195  C      1.826176    0.485602    7.605049    86  194  196
197  196  C      2.318856    1.941602    7.257378    83  195
198  197  C      4.196634   -1.868898    3.405860    83  198
199  198  C      4.689314   -3.324898    3.058189    86  197  199
200  199  C      3.764346   -4.296102    4.050636    86  198  200
201  200  C      4.257026   -5.752102    3.702965    83  199
202  201  C     -1.851536    5.679398    6.960272    83  202
203  202  C     -1.358856    7.135398    6.612601    86  201  203
204  203  C     -2.283824    8.106602    7.605049    86  202  204
205  204  C     -1.791144    9.562602    7.257378    83  203
206  205  C      0.086634    5.752102    3.405860    83  206
207  206  C      0.579314    4.296102    3.058189    86  205  207
208  207  C     -0.345654    3.324898    4.050636    86  206  208
209  208  C      0.147026    1.868898    3.702965    83  207
210  209  C      2.258464    5.679398    6.960272    83  210
211  210  C      2.751144    7.135398    6.612601    86  209  211
212  211  C      1.826176    8.106602    7.605049    86  210  212
213  212  C      2.318856    9.562602    7.257378    83  211
214  213  C      4.196634    5.752102    3.405860    83  214
215  214  C      4.689314    4.296102    3.058189    86  213  215
216  215  C      3.764346    3.324898    4.050636    86  214  216
217  216  C      4.257026    1.868898    3.702965    83  215
218