1132
2 100. 100. 100.
3HH31   -0.9105   -0.2402   2.1804
4CH3   -0.893   -0.3352   2.2308
5HH32   -0.9504   -0.3501   2.3223
6HH33   -0.9067   -0.4173   2.1604
7C   -0.745   -0.3303   2.2659
8O   -0.6909   -0.2213   2.2834
9N   -0.6812   -0.4475   2.2683
10H   -0.7324   -0.5304   2.2418
11CA   -0.5397   -0.4597   2.2969
12HA   -0.4882   -0.386   2.2353
13CB   -0.5075   -0.4366   2.4443
14HB1   -0.401   -0.4351   2.4674
15HB2   -0.5438   -0.5144   2.5114
16HB3   -0.5561   -0.3425   2.4701
17C   -0.4909   -0.5948   2.2466
18O   -0.4728   -0.6129   2.1264
19N   -0.4848   -0.6965   2.3328
20H   -0.5121   -0.679   2.4285
21CA   -0.4722   -0.8399   2.3159
22HA   -0.3768   -0.8522   2.2645
23CB   -0.4609   -0.909   2.4515
24HB1   -0.376   -0.8709   2.5082
25HB2   -0.451   -1.0142   2.4246
26HB3   -0.5489   -0.9125   2.5158
27C   -0.5753   -0.906   2.2256
28O   -0.5359   -0.9754   2.1321
29N   -0.7036   -0.8865   2.2568
30H   -0.704   -0.8063   2.3182
31CA   -0.8201   -0.9234   2.1789
32HA   -0.7869   -0.9845   2.0949
33CB   -0.9165   -0.9957   2.2726
34HB1   -0.8633   -1.0787   2.319
35HB2   -1.0099   -1.0329   2.2305
36HB3   -0.94   -0.9257   2.3527
37C   -0.8724   -0.7907   2.1258
38O   -0.8269   -0.6846   2.1676
39N   -0.9566   -0.7899   2.0221
40H   -0.963   -0.8819   1.981
41CA   -0.9923   -0.6793   1.9356
42HA   -1.0138   -0.5948   2.0009
43CB   -0.8791   -0.6404   1.8409
44HB1   -0.8531   -0.7143   1.7651
45HB2   -0.7859   -0.629   1.8963
46HB3   -0.8983   -0.5483   1.7859
47C   -1.1178   -0.7047   1.8532
48O   -1.1516   -0.8217   1.8366
49N   -1.1927   -0.6054   1.8049
50H   -1.1603   -0.5097   1.8052
51CA   -1.324   -0.6259   1.7469
52HA   -1.3121   -0.716   1.6866
53CB   -1.4367   -0.6396   1.8489
54HB1   -1.5329   -0.6504   1.799
55HB2   -1.4356   -0.5552   1.9178
56HB3   -1.4135   -0.7227   1.9155
57C   -1.3632   -0.5087   1.6582
58O   -1.3364   -0.3936   1.6918
59N   -1.4207   -0.5433   1.5428
60H   -1.4289   -0.644   1.5399
61CA   -1.4898   -0.458   1.4482
62HA   -1.5364   -0.3792   1.5074
63CB   -1.3891   -0.38   1.3642
64HB1   -1.4478   -0.3098   1.3049
65HB2   -1.3232   -0.4434   1.3048
66HB3   -1.3289   -0.3155   1.4282
67C   -1.5946   -0.517   1.3549
68O   -1.7154   -0.5054   1.3744
69N   -1.5477   -0.6023   1.2635
70H   -1.4472   -0.6108   1.2571
71CA   -1.6137   -0.7083   1.1902
72HA   -1.7209   -0.703   1.2095
73CB   -1.5913   -0.6901   1.0403
74HB1   -1.6476   -0.6072   0.9975
75HB2   -1.6105   -0.7811   0.9835
76HB3   -1.4837   -0.6728   1.042
77C   -1.5549   -0.8405   1.2374
78O   -1.4368   -0.8711   1.2226
79N   -1.6457   -0.9114   1.3049
80H   -1.7362   -0.8674   1.3143
81CA   -1.6134   -1.0157   1.4001
82HA   -1.7002   -1.0541   1.4537
83CB   -1.5583   -1.1305   1.316
84HB1   -1.4572   -1.0975   1.2918
85HB2   -1.6217   -1.1496   1.2294
86HB3   -1.5599   -1.2271   1.3664
87C   -1.5269   -0.9591   1.5119
88O   -1.5214   -0.8375   1.5293
89N   -1.4681   -1.0478   1.5924
90H   -1.4907   -1.1462   1.5897
91CA   -1.3672   -1.0148   1.691
92HA   -1.3288   -0.9136   1.678
93CB   -1.4348   -1.0169   1.8278
94HB1   -1.4897   -0.9229   1.8335
95HB2   -1.3581   -1.0251   1.9048
96HB3   -1.4889   -1.1094   1.8478
97C   -1.2514   -1.1131   1.681
98O   -1.267   -1.2212   1.6247
99N   -1.1304   -1.0734   1.7209
100H   -1.13   -0.9774   1.7523
101CA   -1.0028   -1.1384   1.6987
102HA   -1.0121   -1.2468   1.693
103CB   -0.9496   -1.1025   1.5603
104HB1   -0.8583   -1.1593   1.5421
105HB2   -0.938   -0.9942   1.5574
106HB3   -1.0131   -1.1309   1.4763
107C   -0.9012   -1.1121   1.8089
108O   -0.9298   -1.0314   1.8971
109N   -0.7836   -1.175   1.8022
110H   -0.7676   -1.243   1.7292
111CA   -0.6626   -1.1294   1.8676
112HA   -0.6953   -1.0965   1.9663
113CB   -0.5678   -1.2473   1.8875
114HB1   -0.5215   -1.271   1.7917
115HB2   -0.6285   -1.3303   1.9237
116HB3   -0.4881   -1.2167   1.9553
117C   -0.6012   -1.0138   1.7899
118O   -0.6378   -0.9893   1.6752
119N   -0.5091   -0.9417   1.8543
120H   -0.5077   -0.9637   1.9529
121CA   -0.4233   -0.8407   1.7956
122HA   -0.398   -0.8732   1.6947
123CB   -0.4967   -0.7073   1.7857
124HB1   -0.4295   -0.6295   1.7497
125HB2   -0.5447   -0.6756   1.8783
126HB3   -0.5784   -0.7235   1.7154
127C   -0.2955   -0.8248   1.8767
128O   -0.1984   -0.8964   1.8535
129N   -0.2923   -0.7389   1.9788
130H   -0.3729   -0.6821   2.0007
131CH3   -0.169   -0.7089   2.0487
132HH31   -0.1873   -0.6629   2.1459
133HH32   -0.1152   -0.6284   1.9986
134HH33   -0.1135   -0.802   2.0602
135132
136 100. 100. 100.
137HH31   -0.0219   -1.191   1.5105
138CH3   -0.0864   -1.2406   1.5831
139HH32   -0.0847   -1.3469   1.5589
140HH33   -0.0406   -1.21   1.6772
141C   -0.2344   -1.2065   1.5741
142O   -0.2955   -1.2489   1.4762
143N   -0.2853   -1.1282   1.6694
144H   -0.2187   -1.0759   1.7245
145CA   -0.4235   -1.0892   1.6896
146HA   -0.4673   -1.0542   1.5962
147CB   -0.5079   -1.2066   1.7384
148HB1   -0.4738   -1.2388   1.8369
149HB2   -0.4883   -1.2957   1.6788
150HB3   -0.6136   -1.1803   1.7378
151C   -0.433   -0.9747   1.7893
152O   -0.3304   -0.9303   1.8405
153N   -0.5529   -0.9232   1.8176
154H   -0.6411   -0.9565   1.7815
155CA   -0.5793   -0.8156   1.9109
156HA   -0.5312   -0.8252   2.0082
157CB   -0.5207   -0.6916   1.8438
158HB1   -0.5529   -0.6865   1.7398
159HB2   -0.4118   -0.6902   1.8479
160HB3   -0.5481   -0.6027   1.9007
161C   -0.7286   -0.8068   1.9388
162O   -0.7905   -0.909   1.9103
163N   -0.7802   -0.7033   2.0056
164H   -0.7241   -0.6197   2.014
165CA   -0.9235   -0.6867   2.0193
166HA   -0.9689   -0.7394   1.9354
167CB   -0.9845   -0.7387   2.1491
168HB1   -0.9858   -0.8473   2.1587
169HB2   -1.0895   -0.7125   2.1618
170HB3   -0.9282   -0.6993   2.2338
171C   -0.96   -0.539   2.0148
172O   -0.8776   -0.4495   2.0322
173N   -1.0834   -0.5032   1.9784
174H   -1.1516   -0.5766   1.9655
175CA   -1.1361   -0.3683   1.9729
176HA   -1.0903   -0.3028   2.0469
177CB   -1.0931   -0.3114   1.838
178HB1   -0.9846   -0.3015   1.8342
179HB2   -1.1172   -0.2057   1.8269
180HB3   -1.1314   -0.3669   1.7523
181C   -1.2865   -0.3555   1.992
182O   -1.3626   -0.3572   1.8954
183N   -1.3298   -0.3484   2.1181
184H   -1.2545   -0.3521   2.1853
185CA   -1.4663   -0.3482   2.1668
186HA   -1.466   -0.3689   2.2738
187CB   -1.5284   -0.2094   2.1544
188HB1   -1.5105   -0.171   2.0539
189HB2   -1.487   -0.1423   2.2296
190HB3   -1.6336   -0.2122   2.1828
191C   -1.5362   -0.4668   2.102
192O   -1.5108   -0.585   2.1244
193N   -1.628   -0.4369   2.0098
194H   -1.6216   -0.3431   1.9729
195CA   -1.7198   -0.5246   1.9399
196HA   -1.7865   -0.5741   2.0105
197CB   -1.8031   -0.4365   1.8472
198HB1   -1.738   -0.3886   1.7741
199HB2   -1.8407   -0.3588   1.9137
200HB3   -1.8712   -0.5025   1.7934
201C   -1.6484   -0.6223   1.8476
202O   -1.6973   -0.7339   1.8316
203N   -1.5334   -0.5824   1.7928
204H   -1.5008   -0.4927   1.8256
205CA   -1.43   -0.6787   1.7604
206HA   -1.4709   -0.7646   1.7071
207CB   -1.3322   -0.6076   1.6673
208HB1   -1.2867   -0.6819   1.6018
209HB2   -1.2574   -0.5477   1.7194
210HB3   -1.3897   -0.5357   1.6089
211C   -1.3783   -0.744   1.8878
212O   -1.2754   -0.7043   1.9419
213N   -1.4516   -0.8392   1.946
214H   -1.5375   -0.8589   1.8967
215CA   -1.4193   -0.9027   2.0722
216HA   -1.4203   -0.8331   2.1561
217CB   -1.5313   -0.9937   2.1218
218HB1   -1.5108   -1.0104   2.2275
219HB2   -1.531   -1.0911   2.073
220HB3   -1.6301   -0.955   2.0969
221C   -1.283   -0.9703   2.0719
222O   -1.2277   -0.9848   2.1807
223N   -1.2428   -1.0209   1.9551
224H   -1.3033   -1.0053   1.8758
225CA   -1.1153   -1.079   1.918
226HA   -1.031   -1.0405   1.9754
227CB   -1.1265   -1.2294   1.9413
228HB1   -1.2104   -1.2731   1.8872
229HB2   -1.1258   -1.2557   2.0471
230HB3   -1.0427   -1.2859   1.9005
231C   -1.0996   -1.0657   1.7672
232O   -1.203   -1.0841   1.7033
233N   -0.9801   -1.044   1.7119
234H   -0.8965   -1.014   1.7599
235CA   -0.9585   -1.0268   1.5696
236HA   -1.0294   -1.0911   1.5176
237CB   -0.9854   -0.8843   1.5221
238HB1   -0.9327   -0.8123   1.5847
239HB2   -1.0876   -0.8467   1.5268
240HB3   -0.9545   -0.8782   1.4178
241C   -0.8182   -1.0788   1.5417
242O   -0.7196   -1.01   1.5668
243N   -0.8095   -1.1918   1.4711
244H   -0.8987   -1.2324   1.4469
245CA   -0.6941   -1.2497   1.4053
246HA   -0.6155   -1.2477   1.4807
247CB   -0.7292   -1.3942   1.3713
248HB1   -0.756   -1.4447   1.4641
249HB2   -0.6355   -1.4467   1.3525
250HB3   -0.8097   -1.4054   1.2986
251C   -0.6431   -1.158   1.295
252O   -0.717   -1.0939   1.2205
253N   -0.5104   -1.1443   1.2904
254H   -0.4543   -1.1902   1.3608
255CA   -0.445   -1.0527   1.1991
256HA   -0.5102   -1.0237   1.1167
257CB   -0.3881   -0.9292   1.2683
258HB1   -0.2911   -0.9489   1.3138
259HB2   -0.4622   -0.8818   1.3327
260HB3   -0.3719   -0.8605   1.1852
261C   -0.3321   -1.1209   1.1231
262O   -0.3217   -1.1107   1.0011
263N   -0.2494   -1.1958   1.1963
264H   -0.2773   -1.2133   1.2918
265CH3   -0.1332   -1.261   1.1392
266HH31   -0.1207   -1.2177   1.0399
267HH32   -0.1485   -1.3687   1.1463
268HH33   -0.0426   -1.2334   1.193
269132
270 100. 100. 100.
271HH31   -1.6971   -0.7275   1.7143
272CH3   -1.7139   -0.8178   1.773
273HH32   -1.8053   -0.7888   1.8246
274HH33   -1.7367   -0.9079   1.716
275C   -1.589   -0.8338   1.8585
276O   -1.5456   -0.7458   1.9326
277N   -1.5306   -0.9516   1.8355
278H   -1.5613   -1.0011   1.753
279CA   -1.4323   -1.0036   1.9285
280HA   -1.4523   -0.9535   2.0232
281CB   -1.4528   -1.1536   1.9475
282HB1   -1.4072   -1.1914   2.0389
283HB2   -1.4099   -1.2008   1.8591
284HB3   -1.5546   -1.1883   1.9654
285C   -1.2943   -0.9511   1.8914
286O   -1.2802   -0.8546   1.8167
287N   -1.1921   -1.0212   1.9408
288H   -1.2008   -1.1194   1.9629
289CA   -1.0574   -0.9712   1.9595
290HA   -1.0534   -0.8904   2.0326
291CB   -0.9822   -1.0882   2.0223
292HB1   -0.974   -1.1813   1.9661
293HB2   -1.0313   -1.118   2.1149
294HB3   -0.8794   -1.0557   2.0384
295C   -0.9952   -0.9177   1.8312
296O   -0.9829   -0.9897   1.7324
297N   -0.9499   -0.7931   1.8473
298H   -0.9674   -0.7459   1.9349
299CA   -0.8857   -0.7188   1.7408
300HA   -0.8523   -0.7853   1.6611
301CB   -0.9939   -0.6324   1.6765
302HB1   -1.0113   -0.5442   1.7382
303HB2   -1.0787   -0.6965   1.6526
304HB3   -0.9628   -0.587   1.5824
305C   -0.7593   -0.6468   1.7854
306O   -0.766   -0.5429   1.8507
307N   -0.6453   -0.7113   1.7596
308H   -0.6646   -0.7944   1.7056
309CA   -0.5119   -0.6927   1.8131
310HA   -0.467   -0.7915   1.8035
311CB   -0.4362   -0.5878   1.732
312HB1   -0.4685   -0.4842   1.7425
313HB2   -0.4359   -0.6227   1.6288
314HB3   -0.3324   -0.5792   1.764
315C   -0.5027   -0.6592   1.9613
316O   -0.4531   -0.7414   2.038
317N   -0.5453   -0.5399   2.0034
318H   -0.5855   -0.4822   1.9309
319CA   -0.5281   -0.4855   2.1366
320HA   -0.5115   -0.5686   2.2052
321CB   -0.4163   -0.3818   2.1419
322HB1   -0.3279   -0.4238   2.094
323HB2   -0.4036   -0.3417   2.2424
324HB3   -0.448   -0.2974   2.0807
325C   -0.6608   -0.426   2.1816
326O   -0.6714   -0.3774   2.294
327N   -0.7685   -0.431   2.1028
328H   -0.754   -0.4842   2.0182
329CA   -0.9045   -0.4025   2.1438
330HA   -0.9042   -0.4044   2.2528
331CB   -0.9437   -0.2635   2.0944
332HB1   -0.8696   -0.1891   2.1236
333HB2   -1.0388   -0.2469   2.145
334HB3   -0.9441   -0.2668   1.9854
335C   -0.9958   -0.5126   2.0917
336O   -0.9507   -0.6247   2.0694
337N   -1.1251   -0.4901   2.0672
338H   -1.1656   -0.3977   2.0709
339CA   -1.2236   -0.5864   2.0224
340HA   -1.1619   -0.6659   1.9804
341CB   -1.2928   -0.6434   2.146
342HB1   -1.3652   -0.7189   2.1153
343HB2   -1.3485   -0.5717   2.2062
344HB3   -1.2123   -0.688   2.2044
345C   -1.3059   -0.5203   1.9128
346O   -1.3462   -0.4054   1.9289
347N   -1.3096   -0.5785   1.7927
348H   -1.3009   -0.6786   1.8032
349CA   -1.3674   -0.5239   1.6715
350HA   -1.4483   -0.4578   1.7027
351CB   -1.2678   -0.4304   1.6035
352HB1   -1.3028   -0.3692   1.5204
353HB2   -1.186   -0.4936   1.5687
354HB3   -1.2284   -0.3595   1.6763
355C   -1.4309   -0.6228   1.5748
356O   -1.5325   -0.5903   1.5137
357N   -1.3812   -0.7462   1.5646
358H   -1.3082   -0.771   1.6299
359CA   -1.4167   -0.8492   1.469
360HA   -1.5173   -0.8236   1.4357
361CB   -1.3122   -0.8398   1.3582
362HB1   -1.2105   -0.8307   1.3963
363HB2   -1.3282   -0.7448   1.3072
364HB3   -1.312   -0.928   1.2941
365C   -1.4251   -0.9857   1.5359
366O   -1.5352   -1.0286   1.5694
367N   -1.3168   -1.0637   1.5358
368H   -1.2321   -1.0164   1.5076
369CA   -1.3208   -1.2027   1.5765
370HA   -1.3976   -1.217   1.6525
371CB   -1.3443   -1.2888   1.4527
372HB1   -1.2606   -1.2752   1.3842
373HB2   -1.4395   -1.2688   1.4035
374HB3   -1.3432   -1.3963   1.4705
375C   -1.1884   -1.2384   1.6427
376O   -1.182   -1.2473   1.7651
377N   -1.0852   -1.2852   1.5721
378H   -1.102   -1.284   1.4725
379CA   -0.9626   -1.3498   1.6142
380HA   -0.9421   -1.3069   1.7123
381CB   -0.979   -1.5004   1.6326
382HB1   -1.0787   -1.5056   1.6763
383HB2   -0.9037   -1.5315   1.7049
384HB3   -0.969   -1.5528   1.5375
385C   -0.8413   -1.3123   1.5302
386O   -0.7807   -1.3908   1.4576
387N   -0.8114   -1.1825   1.5382
388H   -0.8614   -1.1161   1.5955
389CA   -0.6892   -1.1363   1.4755
390HA   -0.6331   -1.2176   1.4293
391CB   -0.7043   -1.0337   1.3636
392HB1   -0.6105   -1.006   1.3155
393HB2   -0.7571   -0.9465   1.4022
394HB3   -0.7592   -1.0899   1.288
395C   -0.6075   -1.0703   1.5857
396O   -0.6343   -0.9589   1.6301
397N   -0.5012   -1.1368   1.6316
398H   -0.4798   -1.229   1.5963
399CH3   -0.4047   -1.081   1.7241
400HH31   -0.3304   -1.1587   1.7419
401HH32   -0.4445   -1.0557   1.8224
402HH33   -0.3512   -0.9954   1.6829
403132
404 100. 100. 100.
405HH31   -0.5592   -1.1429   2.5904
406CH3   -0.5419   -1.2326   2.531
407HH32   -0.4388   -1.2674   2.5251
408HH33   -0.5949   -1.3115   2.5844
409C   -0.6114   -1.2009   2.3994
410O   -0.5935   -1.2715   2.3004
411N   -0.682   -1.0876   2.3966
412H   -0.6628   -1.047   2.4871
413CA   -0.7687   -1.0263   2.2979
414HA   -0.7506   -1.0538   2.194
415CB   -0.9142   -1.0534   2.3352
416HB1   -0.9275   -1.0746   2.4413
417HB2   -0.956   -1.1352   2.2765
418HB3   -0.9767   -0.9651   2.3219
419C   -0.7532   -0.8757   2.3136
420O   -0.6846   -0.8291   2.4043
421N   -0.8119   -0.7992   2.2213
422H   -0.8752   -0.8525   2.1634
423CA   -0.8132   -0.6547   2.2318
424HA   -0.8265   -0.6267   2.3363
425CB   -0.6851   -0.5914   2.1781
426HB1   -0.6785   -0.5827   2.0697
427HB2   -0.5965   -0.6394   2.2197
428HB3   -0.6798   -0.4912   2.2206
429C   -0.9341   -0.5931   2.1627
430O   -0.9931   -0.6583   2.0768
431N   -0.9657   -0.4689   2.1999
432H   -0.8979   -0.4235   2.2593
433CA   -1.0732   -0.389   2.1444
434HA   -1.1691   -0.4227   2.1836
435CB   -1.0529   -0.2462   2.1942
436HB1   -1.1405   -0.1813   2.1947
437HB2   -0.9764   -0.2078   2.1268
438HB3   -1.0146   -0.2502   2.2962
439C   -1.0823   -0.3966   1.9926
440O   -1.1702   -0.4584   1.9329
441N   -0.9808   -0.342   1.9253
442H   -0.9156   -0.2908   1.983
443CA   -0.959   -0.3466   1.7821
444HA   -1.0356   -0.2812   1.7403
445CB   -0.8216   -0.2912   1.7454
446HB1   -0.809   -0.2708   1.6391
447HB2   -0.744   -0.3625   1.7732
448HB3   -0.8159   -0.1908   1.7875
449C   -0.9673   -0.4845   1.7182
450O   -1.0395   -0.5048   1.6208
451N   -0.8938   -0.5806   1.7746
452H   -0.8289   -0.572   1.8516
453CA   -0.8919   -0.7076   1.7048
454HA   -0.8734   -0.6998   1.5977
455CB   -0.7819   -0.8002   1.7558
456HB1   -0.6806   -0.7632   1.7402
457HB2   -0.7906   -0.9018   1.7173
458HB3   -0.7975   -0.801   1.8637
459C   -1.0239   -0.7834   1.7067
460O   -1.0485   -0.8647   1.6179
461N   -1.1043   -0.766   1.8119
462H   -1.0814   -0.6931   1.878
463CA   -1.239   -0.8175   1.8257
464HA   -1.2443   -0.9218   1.7945
465CB   -1.2723   -0.8194   1.9746
466HB1   -1.3018   -0.7234   2.0169
467HB2   -1.1817   -0.8431   2.0304
468HB3   -1.3585   -0.885   1.9866
469C   -1.3337   -0.741   1.7344
470O   -1.4179   -0.8028   1.6696
471N   -1.3093   -0.6102   1.7228
472H   -1.2381   -0.5659   1.7791
473CA   -1.368   -0.5341   1.6143
474HA   -1.4758   -0.5464   1.6253
475CB   -1.3297   -0.3877   1.6337
476HB1   -1.3757   -0.3318   1.5522
477HB2   -1.2237   -0.3636   1.6261
478HB3   -1.3728   -0.3512   1.7269
479C   -1.3461   -0.5952   1.4767
480O   -1.4427   -0.6224   1.4058
481N   -1.2237   -0.6299   1.436
482H   -1.1504   -0.5995   1.4984
483CA   -1.1788   -0.6889   1.3115
484HA   -1.2413   -0.6585   1.2274
485CB   -1.0424   -0.6259   1.2846
486HB1   -1.0129   -0.6367   1.1803
487HB2   -0.966   -0.6717   1.3475
488HB3   -1.0265   -0.5186   1.295
489C   -1.1775   -0.8411   1.3112
490O   -1.0996   -0.9066   1.2424
491N   -1.2754   -0.8974   1.3824
492H   -1.3323   -0.8375   1.4406
493CA   -1.3116   -1.0374   1.3913
494HA   -1.3866   -1.0325   1.4703
495CB   -1.3849   -1.0819   1.265
496HB1   -1.4758   -1.1402   1.2797
497HB2   -1.3222   -1.1402   1.1976
498HB3   -1.4209   -0.9967   1.2073
499C   -1.2114   -1.1341   1.4527
500O   -1.2495   -1.2007   1.5486
501N   -1.0829   -1.1379   1.4165
502H   -1.0749   -1.0628   1.3495
503CA   -0.9628   -1.2022   1.4659
504HA   -0.9482   -1.2941   1.4092
505CB   -0.8466   -1.114   1.421
506HB1   -0.845   -1.0224   1.48
507HB2   -0.853   -1.0861   1.3158
508HB3   -0.7469   -1.1521   1.4435
509C   -0.9686   -1.2251   1.6163
510O   -0.9338   -1.3299   1.6703
511N   -1.0142   -1.1274   1.695
512H   -1.0349   -1.0453   1.6399
513CA   -1.0366   -1.1216   1.838
514HA   -1.0781   -1.0228   1.8579
515CB   -1.1332   -1.2282   1.889
516HB1   -1.0756   -1.3152   1.9207
517HB2   -1.1998   -1.2512   1.8058
518HB3   -1.1976   -1.1973   1.9713
519C   -0.9086   -1.1185   1.9203
520O   -0.8966   -1.0336   2.0084
521N   -0.8131   -1.2072   1.8915
522H   -0.8236   -1.2535   1.8024
523CA   -0.6929   -1.2243   1.9706
524HA   -0.7125   -1.2471   2.0754
525CB   -0.6397   -1.3622   1.9327
526HB1   -0.5608   -1.3941   2.0009
527HB2   -0.5986   -1.3442   1.8334
528HB3   -0.7104   -1.4451   1.9307
529C   -0.5917   -1.1111   1.9593
530O   -0.5776   -1.0592   1.8488
531N   -0.5241   -1.0743   2.0684
532H   -0.509   -1.1369   2.1462
533CH3   -0.4385   -0.9574   2.0732
534HH31   -0.3708   -0.9639   1.988
535HH32   -0.3793   -0.945   2.1639
536HH33   -0.505   -0.8715   2.0646
537132
538 100. 100. 100.
539HH31   -0.6449   -0.3264   2.5959
540CH3   -0.6716   -0.2939   2.4953
541HH32   -0.7456   -0.2145   2.506
542HH33   -0.5791   -0.2696   2.4431
543C   -0.7392   -0.4071   2.4194
544O   -0.7815   -0.3904   2.3052
545N   -0.7538   -0.5208   2.4879
546H   -0.6972   -0.516   2.5714
547CA   -0.8043   -0.6521   2.4533
548HA   -0.7293   -0.6956   2.3872
549CB   -0.8009   -0.7386   2.579
550HB1   -0.8432   -0.6853   2.6642
551HB2   -0.6993   -0.7635   2.6094
552HB3   -0.8445   -0.8383   2.5723
553C   -0.9369   -0.6421   2.3793
554O   -0.9428   -0.6916   2.267
555N   -1.0341   -0.5614   2.4226
556H   -1.0261   -0.5349   2.5197
557CA   -1.1588   -0.5343   2.354
558HA   -1.2165   -0.6268   2.3511
559CB   -1.2367   -0.4288   2.432
560HB1   -1.2557   -0.4767   2.528
561HB2   -1.3297   -0.3966   2.3851
562HB3   -1.1755   -0.3408   2.4516
563C   -1.1348   -0.4939   2.2093
564O   -1.2063   -0.5506   2.127
565N   -1.0488   -0.3992   2.1709
566H   -0.9828   -0.3616   2.2374
567CA   -1.0442   -0.3481   2.0353
568HA   -1.1468   -0.3408   1.9994
569CB   -0.9858   -0.2071   2.0364
570HB1   -0.9909   -0.1755   1.9322
571HB2   -0.8784   -0.1975   2.0527
572HB3   -1.0486   -0.1498   2.1047
573C   -0.9694   -0.4411   1.9409
574O   -1.0018   -0.4625   1.8243
575N   -0.8691   -0.5058   2.0006
576H   -0.8683   -0.4884   2.1001
577CA   -0.8028   -0.6254   1.9527
578HA   -0.7498   -0.5842   1.8669
579CB   -0.7011   -0.6673   2.0586
580HB1   -0.7281   -0.6427   2.1614
581HB2   -0.6058   -0.6154   2.0485
582HB3   -0.6785   -0.7738   2.0539
583C   -0.8888   -0.7389   1.899
584O   -0.892   -0.7601   1.778
585N   -0.973   -0.7975   1.9844
586H   -0.9579   -0.7661   2.0792
587CA   -1.0856   -0.8854   1.9602
588HA   -1.044   -0.9809   1.928
589CB   -1.1663   -0.9057   2.0881
590HB1   -1.1033   -0.9396   2.1704
591HB2   -1.2355   -0.9873   2.0673
592HB3   -1.2125   -0.8096   2.1108
593C   -1.1726   -0.8299   1.8482
594O   -1.206   -0.9034   1.7556
595N   -1.2142   -0.7032   1.8543
596H   -1.1937   -0.651   1.9382
597CA   -1.3115   -0.6502   1.7608
598HA   -1.3962   -0.7171   1.7457
599CB   -1.3599   -0.5199   1.8237
600HB1   -1.2787   -0.4472   1.8244
601HB2   -1.4003   -0.531   1.9243
602HB3   -1.4395   -0.4837   1.7585
603C   -1.2606   -0.6192   1.6207
604O   -1.3442   -0.585   1.5374
605N   -1.1318   -0.6444   1.5966
606H   -1.0849   -0.6589   1.6849
607CA   -1.0569   -0.6152   1.4761
608HA   -1.1301   -0.5804   1.4031
609CB   -0.9693   -0.4929   1.5019
610HB1   -0.8944   -0.5191   1.5767
611HB2   -1.0314   -0.4078   1.5299
612HB3   -0.9208   -0.475   1.406
613C   -0.9702   -0.7265   1.4188
614O   -0.9858   -0.7538   1.3
615N   -0.8761   -0.7812   1.496
616H   -0.865   -0.761   1.5943
617CA   -0.7712   -0.8566   1.4302
618HA   -0.8124   -0.9088   1.3438
619CB   -0.672   -0.7455   1.397
620HB1   -0.5754   -0.7805   1.3609
621HB2   -0.6499   -0.6773   1.4792
622HB3   -0.7105   -0.6865   1.3138
623C   -0.7057   -0.9621   1.5181
624O   -0.619   -1.0338   1.4684
625N   -0.7459   -0.9768   1.6445
626H   -0.8223   -0.9193   1.6772
627CA   -0.6955   -1.0817   1.7307
628HA   -0.5932   -1.1058   1.7017
629CB   -0.6949   -1.0396   1.8774
630HB1   -0.6363   -0.9506   1.9004
631HB2   -0.665   -1.1201   1.9446
632HB3   -0.7954   -1.0048   1.9012
633C   -0.7764   -1.209   1.7099
634O   -0.8675   -1.235   1.7881
635N   -0.7564   -1.27   1.5928
636H   -0.6807   -1.2315   1.5382
637CA   -0.8375   -1.3795   1.5435
638HA   -0.7954   -1.4232   1.453
639CB   -0.8438   -1.5017   1.6347
640HB1   -0.7427   -1.5381   1.6532
641HB2   -0.8946   -1.5871   1.59
642HB3   -0.8965   -1.4746   1.7262
643C   -0.9764   -1.338   1.497
644O   -1.0099   -1.3417   1.3788
645N   -1.061   -1.2936   1.5903
646H   -1.0159   -1.2567   1.6728
647CA   -1.1962   -1.2429   1.5782
648HA   -1.2476   -1.322   1.5237
649CB   -1.2634   -1.2285   1.7145
650HB1   -1.2579   -1.3268   1.7613
651HB2   -1.3652   -1.1933   1.6979
652HB3   -1.2147   -1.1504   1.7728
653C   -1.2047   -1.1164   1.494
654O   -1.1053   -1.0448   1.4844
655N   -1.3263   -1.081   1.4517
656H   -1.4055   -1.1352   1.4829
657CA   -1.3593   -0.9461   1.4103
658HA   -1.3   -0.8745   1.4673
659CB   -1.327   -0.9376   1.2614
660HB1   -1.3358   -0.8334   1.2307
661HB2   -1.4081   -0.9757   1.1993
662HB3   -1.2345   -0.9854   1.2291
663C   -1.5074   -0.9215   1.4356
664O   -1.5891   -1.0099   1.4108
665N   -1.5497   -0.8035   1.4817
666H   -1.4829   -0.7281   1.4887
667CH3   -1.6869   -0.7742   1.5179
668HH31   -1.7408   -0.8493   1.5756
669HH32   -1.7479   -0.7858   1.4283
670HH33   -1.6944   -0.6715   1.5538
671132
672 100. 100. 100.
673HH31   -0.2653   -0.9421   2.3086
674CH3   -0.1905   -0.877   2.2632
675HH32   -0.0909   -0.8975   2.3026
676HH33   -0.1962   -0.8956   2.156
677C   -0.22   -0.7287   2.2802
678O   -0.3078   -0.6879   2.356
679N   -0.1473   -0.6465   2.2042
680H   -0.0709   -0.691   2.1554
681CA   -0.1568   -0.5047   2.1762
682HA   -0.1292   -0.4451   2.2633
683CB   -0.0447   -0.4714   2.0782
684HB1   -0.0278   -0.3637   2.0798
685HB2   -0.068   -0.4942   1.9743
686HB3   0.0542   -0.5072   2.1069
687C   -0.2963   -0.4584   2.1366
688O   -0.3495   -0.3612   2.1898
689N   -0.3622   -0.5341   2.0486
690H   -0.3242   -0.6247   2.0251
691CA   -0.493   -0.5026   1.9948
692HA   -0.5461   -0.4258   2.051
693CB   -0.4663   -0.4449   1.8561
694HB1   -0.4271   -0.3434   1.8616
695HB2   -0.5557   -0.4547   1.7944
696HB3   -0.3872   -0.4956   1.8009
697C   -0.5745   -0.6312   1.9951
698O   -0.5242   -0.7404   1.9695
699N   -0.7051   -0.616   2.018
700H   -0.7501   -0.5259   2.0093
701CA   -0.8036   -0.7221   2.0112
702HA   -0.7789   -0.7865   1.9268
703CB   -0.7935   -0.8145   2.1321
704HB1   -0.8687   -0.8928   2.1215
705HB2   -0.8286   -0.7626   2.2213
706HB3   -0.6912   -0.8516   2.1376
707C   -0.9454   -0.671   1.9903
708O   -0.978   -0.5607   2.0338
709N   -1.0361   -0.7539   1.9381
710H   -1.0063   -0.8427   1.9004
711CA   -1.1775   -0.7237   1.9279
712HA   -1.2113   -0.6778   2.0208
713CB   -1.2196   -0.6178   1.8263
714HB1   -1.1828   -0.5176   1.8485
715HB2   -1.3266   -0.5982   1.8196
716HB3   -1.1777   -0.6514   1.7315
717C   -1.26   -0.8478   1.8971
718O   -1.2037   -0.9351   1.8315
719N   -1.3797   -0.8607   1.9548
720H   -1.4218   -0.7775   1.9937
721CA   -1.4729   -0.9681   1.9272
722HA   -1.4508   -1.0055   1.8272
723CB   -1.4509   -1.0869   2.0205
724HB1   -1.4671   -1.0678   2.1266
725HB2   -1.3486   -1.1193   2.0011
726HB3   -1.5167   -1.1708   1.9978
727C   -1.6154   -0.9147   1.9286
728O   -1.6481   -0.8165   1.995
729N   -1.6977   -0.9804   1.8467
730H   -1.6504   -1.0476   1.7879
731CA   -1.8218   -0.9465   1.7799
732HA   -1.8408   -1.0393   1.726
733CB   -1.936   -0.9421   1.881
734HB1   -1.9165   -1.0118   1.9625
735HB2   -2.0277   -0.9721   1.8302
736HB3   -1.9479   -0.8426   1.9238
737C   -1.8126   -0.8356   1.676
738O   -1.8694   -0.8509   1.5681
739N   -1.7461   -0.7243   1.7078
740H   -1.7179   -0.717   1.8045
741CA   -1.713   -0.6176   1.6155
742HA   -1.7987   -0.5979   1.551
743CB   -1.6872   -0.4861   1.6883
744HB1   -1.7691   -0.4558   1.7536
745HB2   -1.6658   -0.4073   1.6161
746HB3   -1.6046   -0.5036   1.7573
747C   -1.5984   -0.6671   1.5283
748O   -1.4831   -0.6361   1.5572
749N   -1.6294   -0.7577   1.4353
750H   -1.728   -0.7794   1.4353
751CA   -1.5433   -0.86   1.3794
752HA   -1.603   -0.9342   1.3263
753CB   -1.4514   -0.8034   1.2715
754HB1   -1.3634   -0.7576   1.3166
755HB2   -1.5029   -0.7385   1.2007
756HB3   -1.4088   -0.8858   1.2143
757C   -1.4821   -0.951   1.485
758O   -1.537   -0.965   1.5941
759N   -1.3667   -1.0123   1.4578
760H   -1.3291   -1.0085   1.3641
761CA   -1.2943   -1.1044   1.5431
762HA   -1.3009   -1.0959   1.6516
763CB   -1.3581   -1.239   1.5098
764HB1   -1.3494   -1.2527   1.402
765HB2   -1.465   -1.241   1.5312
766HB3   -1.3126   -1.3233   1.5616
767C   -1.1468   -1.0948   1.507
768O   -1.1064   -1.138   1.3993
769N   -1.0673   -1.0367   1.5972
770H   -1.1079   -1.0215   1.6884
771CA   -0.9298   -0.9997   1.5704
772HA   -0.8947   -1.0647   1.4902
773CB   -0.9315   -0.8584   1.5126
774HB1   -0.8286   -0.8252   1.4989
775HB2   -0.9746   -0.7933   1.5886
776HB3   -0.9937   -0.8474   1.4238
777C   -0.8419   -1.0082   1.6943
778O   -0.891   -0.9925   1.8059
779N   -0.7108   -1.0303   1.6814
780H   -0.6714   -1.0518   1.5909
781CA   -0.6163   -1.022   1.7909
782HA   -0.6483   -0.9358   1.8495
783CB   -0.6119   -1.1464   1.8791
784HB1   -0.6914   -1.1508   1.9536
785HB2   -0.5304   -1.1387   1.951
786HB3   -0.617   -1.237   1.8187
787C   -0.4713   -1.0088   1.7467
788O   -0.4382   -1.0734   1.6475
789N   -0.3904   -0.9239   1.8105
790H   -0.4214   -0.8583   1.8808
791CA   -0.2622   -0.8872   1.7539
792HA   -0.2148   -0.9759   1.7117
793CB   -0.2879   -0.7752   1.6535
794HB1   -0.2987   -0.6737   1.6917
795HB2   -0.3746   -0.8021   1.5931
796HB3   -0.2039   -0.7718   1.5841
797C   -0.1695   -0.8363   1.8634
798O   -0.204   -0.76   1.9533
799N   -0.0419   -0.8706   1.8442
800H   -0.0262   -0.9322   1.7658
801CH3   0.0703   -0.8364   1.9293
802HH31   0.1379   -0.7762   1.8685
803HH32   0.1139   -0.9169   1.9884
804HH33   0.0418   -0.7708   2.0115
805132
806 100. 100. 100.
807HH31   -1.2239   -0.7009   1.5699
808CH3   -1.2108   -0.7999   1.5262
809HH32   -1.288   -0.872   1.5531
810HH33   -1.2102   -0.7856   1.4182
811C   -1.0763   -0.8566   1.5693
812O   -1.0359   -0.96   1.5166
813N   -0.9963   -0.794   1.656
814H   -1.0477   -0.715   1.6923
815CA   -0.8549   -0.8137   1.6806
816HA   -0.8296   -0.9001   1.6192
817CB   -0.7726   -0.6947   1.6322
818HB1   -0.8008   -0.6115   1.6968
819HB2   -0.803   -0.6695   1.5307
820HB3   -0.6666   -0.7198   1.6292
821C   -0.839   -0.8503   1.8275
822O   -0.7608   -0.7888   1.8996
823N   -0.9084   -0.9556   1.8714
824H   -0.9842   -0.9968   1.8188
825CA   -0.9159   -0.9945   2.0107
826HA   -0.9925   -1.0719   2.0167
827CB   -0.7822   -1.0576   2.0485
828HB1   -0.7469   -1.14   1.9864
829HB2   -0.799   -1.1018   2.1467
830HB3   -0.7002   -0.9859   2.0461
831C   -0.9705   -0.8934   2.1106
832O   -1.074   -0.915   2.1732
833N   -0.8791   -0.8014   2.1423
834H   -0.8074   -0.7994   2.0711
835CA   -0.8974   -0.6885   2.2313
836HA   -0.9957   -0.6853   2.2781
837CB   -0.8008   -0.7119   2.3471
838HB1   -0.7865   -0.6217   2.4066
839HB2   -0.702   -0.744   2.3141
840HB3   -0.8434   -0.7839   2.417
841C   -0.8732   -0.553   2.1662
842O   -0.9262   -0.4517   2.2111
843N   -0.7962   -0.546   2.0573
844H   -0.7921   -0.6314   2.0037
845CA   -0.7219   -0.4283   2.0171
846HA   -0.6582   -0.3971   2.0998
847CB   -0.6171   -0.4829   1.9205
848HB1   -0.5449   -0.5382   1.9807
849HB2   -0.5633   -0.3969   1.8805
850HB3   -0.6484   -0.5463   1.8376
851C   -0.814   -0.3233   1.9566
852O   -0.8294   -0.3157   1.8349
853N   -0.8858   -0.2427   2.0352
854H   -0.8797   -0.2552   2.1353
855CA   -0.9908   -0.1495   1.9994
856HA   -1.021   -0.0972   2.0901
857CB   -0.9492   -0.0438   1.8976
858HB1   -0.9209   -0.097   1.8067
859HB2   -0.8638   0.0079   1.9415
860HB3   -1.0367   0.0181   1.8778
861C   -1.1148   -0.2228   1.9502
862O   -1.2267   -0.1861   1.9855
863N   -1.0998   -0.3333   1.8768
864H   -1.0062   -0.3519   1.8438
865CA   -1.2061   -0.4138   1.8201
866HA   -1.304   -0.366   1.824
867CB   -1.1611   -0.4269   1.6749
868HB1   -1.082   -0.4983   1.6517
869HB2   -1.1304   -0.3341   1.6267
870HB3   -1.2406   -0.4605   1.6083
871C   -1.2125   -0.5487   1.8903
872O   -1.135   -0.6355   1.8508
873N   -1.2974   -0.5681   1.9915
874H   -1.3575   -0.4893   2.0108
875CA   -1.2946   -0.6711   2.0933
876HA   -1.1968   -0.7191   2.0958
877CB   -1.3129   -0.6032   2.2288
878HB1   -1.4174   -0.5722   2.2283
879HB2   -1.2465   -0.5168   2.2296
880HB3   -1.2824   -0.674   2.3059
881C   -1.3939   -0.7794   2.0537
882O   -1.5057   -0.7839   2.1046
883N   -1.3487   -0.8608   1.958
884H   -1.2591   -0.8373   1.9176
885CA   -1.399   -0.9903   1.9169
886HA   -1.414   -1.0504   2.0066
887CB   -1.5363   -0.9721   1.8528
888HB1   -1.6074   -0.9372   1.9277
889HB2   -1.5738   -1.0707   1.8256
890HB3   -1.536   -0.9078   1.7648
891C   -1.2897   -1.0583   1.8356
892O   -1.1732   -1.0194   1.8313
893N   -1.3337   -1.1636   1.7663
894H   -1.4302   -1.1871   1.7481
895CA   -1.243   -1.2461   1.689
896HA   -1.1411   -1.2078   1.6951
897CB   -1.2404   -1.3839   1.7545
898HB1   -1.1857   -1.3962   1.848
899HB2   -1.1909   -1.4523   1.6855
900HB3   -1.3392   -1.4273   1.7699
901C   -1.2857   -1.2474   1.5429
902O   -1.3941   -1.2972   1.5136
903N   -1.1947   -1.1995   1.4578
904H   -1.1201   -1.1429   1.4957
905CA   -1.1939   -1.2281   1.3158
906HA   -1.2232   -1.3326   1.3056
907CB   -1.2899   -1.1352   1.2419
908HB1   -1.3924   -1.1663   1.2625
909HB2   -1.2639   -1.1322   1.1361
910HB3   -1.2805   -1.0318   1.275
911C   -1.0494   -1.2147   1.27
912O   -0.9972   -1.3178   1.2283
913N   -0.9942   -1.0932   1.2667
914H   -1.0512   -1.0256   1.3156
915CA   -0.8559   -1.0635   1.2354
916HA   -0.833   -1.082   1.1304
917CB   -0.825   -0.9147   1.2495
918HB1   -0.8176   -0.8861   1.3544
919HB2   -0.8947   -0.846   1.2013
920HB3   -0.732   -0.8794   1.205
921C   -0.7565   -1.1355   1.3254
922O   -0.6523   -1.18   1.2777
923N   -0.791   -1.1463   1.4539
924H   -0.8788   -1.1063   1.4837
925CA   -0.7053   -1.188   1.5631
926HA   -0.7558   -1.1549   1.6538
927CB   -0.7088   -1.3405   1.5673
928HB1   -0.6895   -1.3826   1.4687
929HB2   -0.8005   -1.3758   1.6146
930HB3   -0.6285   -1.3698   1.635
931C   -0.5715   -1.1164   1.5513
932O   -0.5633   -0.9941   1.5606
933N   -0.4633   -1.1938   1.5401
934H   -0.4859   -1.2913   1.5264
935CH3   -0.3305   -1.1365   1.5307
936HH31   -0.2957   -1.1212   1.4286
937HH32   -0.2625   -1.215   1.5637
938HH33   -0.3265   -1.0511   1.5983
939132
940 100. 100. 100.
941HH31   -0.3261   -0.9209   2.604
942CH3   -0.4035   -0.8476   2.5812
943HH32   -0.4821   -0.8483   2.6568
944HH33   -0.3666   -0.745   2.5788
945C   -0.4703   -0.8799   2.4483
946O   -0.4088   -0.9335   2.3565
947N   -0.603   -0.8656   2.4428
948H   -0.638   -0.8295   2.5304
949CA   -0.6786   -0.8683   2.3193
950HA   -0.6515   -0.9513   2.2541
951CB   -0.8269   -0.8911   2.3474
952HB1   -0.8814   -0.8421   2.2667
953HB2   -0.8619   -0.8535   2.4435
954HB3   -0.8508   -0.9971   2.3395
955C   -0.6534   -0.7362   2.248
956O   -0.6682   -0.6293   2.3068
957N   -0.6399   -0.7401   2.1153
958H   -0.6256   -0.8329   2.0779
959CA   -0.6371   -0.6295   2.0217
960HA   -0.5745   -0.5545   2.0701
961CB   -0.5637   -0.672   1.8949
962HB1   -0.5957   -0.77   1.8594
963HB2   -0.4581   -0.6697   1.9217
964HB3   -0.5723   -0.6006   1.813
965C   -0.7689   -0.559   1.9929
966O   -0.8252   -0.563   1.8838
967N   -0.8238   -0.4981   2.0983
968H   -0.7853   -0.5286   2.1865
969CA   -0.9306   -0.4002   2.0943
970HA   -0.9666   -0.4077   2.1969
971CB   -0.8667   -0.2626   2.0778
972HB1   -0.8175   -0.2653   1.9806
973HB2   -0.7899   -0.2485   2.1538
974HB3   -0.9351   -0.179   2.0924
975C   -1.0507   -0.4402   2.0099
976O   -1.1158   -0.5432   2.0262
977N   -1.0849   -0.3506   1.917
978H   -1.047   -0.2574   1.9258
979CA   -1.2002   -0.3669   1.8308
980HA   -1.292   -0.3721   1.8894
981CB   -1.2065   -0.2349   1.7546
982HB1   -1.2202   -0.1627   1.8351
983HB2   -1.2916   -0.2377   1.6866
984HB3   -1.1148   -0.2141   1.6995
985C   -1.1903   -0.4875   1.7385
986O   -1.2856   -0.5623   1.7178
987N   -1.0754   -0.4966   1.671
988H   -1.0109   -0.4264   1.7043
989CA   -1.0321   -0.6116   1.5942
990HA   -1.0918   -0.61   1.503
991CB   -0.8849   -0.593   1.5585
992HB1   -0.8598   -0.487   1.5575
993HB2   -0.876   -0.633   1.4575
994HB3   -0.8187   -0.6523   1.6216
995C   -1.0466   -0.7491   1.6577
996O   -1.0863   -0.8445   1.5911
997N   -1.0096   -0.7531   1.7859
998H   -0.9655   -0.6695   1.8216
999CA   -1.0364   -0.8705   1.8665
1000HA   -1.0114   -0.9625   1.8137
1001CB   -0.938   -0.8632   1.9829
1002HB1   -0.8378   -0.8576   1.9402
1003HB2   -0.9398   -0.9463   2.0534
1004HB3   -0.9572   -0.7704   2.0368
1005C   -1.1807   -0.8877   1.912
1006O   -1.2342   -0.9984   1.9107
1007N   -1.2404   -0.7796   1.9626
1008H   -1.1945   -0.6896   1.9644
1009CA   -1.3802   -0.7836   2.0003
1010HA   -1.3871   -0.8624   2.0753
1011CB   -1.4131   -0.6506   2.0675
1012HB1   -1.3429   -0.624   2.1465
1013HB2   -1.5109   -0.6512   2.1157
1014HB3   -1.4119   -0.5722   1.9917
1015C   -1.4725   -0.8246   1.8864
1016O   -1.5774   -0.8822   1.9143
1017N   -1.4367   -0.7924   1.7619
1018H   -1.3697   -0.7179   1.749
1019CA   -1.5131   -0.8392   1.648
1020HA   -1.6159   -0.8533   1.6814
1021CB   -1.5166   -0.7208   1.5519
1022HB1   -1.5685   -0.6462   1.6121
1023HB2   -1.5726   -0.7551   1.4649
1024HB3   -1.4112   -0.7043   1.5296
1025C   -1.4528   -0.9648   1.5868
1026O   -1.5065   -1.0256   1.4944
1027N   -1.3388   -1.0148   1.6352
1028H   -1.301   -0.9832   1.7234
1029CA   -1.2819   -1.141   1.5924
1030HA   -1.1927   -1.1435   1.655
1031CB   -1.3661   -1.2585   1.6412
1032HB1   -1.454   -1.2464   1.5779
1033HB2   -1.4021   -1.2484   1.7436
1034HB3   -1.3131   -1.3522   1.6235
1035C   -1.2292   -1.1539   1.4502
1036O   -1.2395   -1.2542   1.3799
1037N   -1.1403   -1.059   1.4197
1038H   -1.1307   -0.991   1.4938
1039CA   -1.0533   -1.0616   1.3039
1040HA   -1.0911   -1.1347   1.2325
1041CB   -1.0498   -0.9207   1.2453
1042HB1   -1.0085   -0.9324   1.1451
1043HB2   -0.9864   -0.861   1.3109
1044HB3   -1.1512   -0.8855   1.2263
1045C   -0.9109   -1.1019   1.3394
1046O   -0.8469   -1.1799   1.2692
1047N   -0.8551   -1.0443   1.4461
1048H   -0.9109   -0.9771   1.4967
1049CA   -0.7123   -1.0525   1.4694
1050HA   -0.6697   -1.1441   1.4282
1051CB   -0.6486   -0.9311   1.4023
1052HB1   -0.5412   -0.9455   1.4138
1053HB2   -0.6759   -0.8361   1.4482
1054HB3   -0.6791   -0.9394   1.298
1055C   -0.7002   -1.0493   1.6211
1056O   -0.6918   -0.9428   1.6817
1057N   -0.722   -1.1631   1.6875
1058H   -0.7248   -1.2526   1.6409
1059CA   -0.7321   -1.1686   1.8319
1060HA   -0.8301   -1.1297   1.8597
1061CB   -0.7345   -1.3149   1.8753
1062HB1   -0.6389   -1.3639   1.8566
1063HB2   -0.8263   -1.366   1.8462
1064HB3   -0.7422   -1.3204   1.9839
1065C   -0.631   -1.0955   1.9191
1066O   -0.6712   -1.0368   2.0193
1067N   -0.5013   -1.1065   1.8892
1068H   -0.4728   -1.155   1.8053
1069CH3   -0.3883   -1.0506   1.9605
1070HH31   -0.2998   -1.1048   1.927
1071HH32   -0.4204   -1.0606   2.0642
1072HH33   -0.3665   -0.9463   1.9372
1073132
1074 100. 100. 100.
1075HH31   -0.2637   -1.191   1.743
1076CH3   -0.3635   -1.1482   1.7519
1077HH32   -0.3546   -1.057   1.693
1078HH33   -0.4262   -1.2246   1.7059
1079C   -0.4201   -1.1295   1.8919
1080O   -0.4586   -1.2241   1.9602
1081N   -0.4227   -1.0029   1.9343
1082H   -0.4181   -0.9332   1.8614
1083CA   -0.438   -0.9465   2.0669
1084HA   -0.4695   -1.0162   2.1445
1085CB   -0.2986   -0.8943   2.1008
1086HB1   -0.2653   -0.824   2.0245
1087HB2   -0.2259   -0.9754   2.0965
1088HB3   -0.2968   -0.838   2.1941
1089C   -0.5398   -0.8336   2.0755
1090O   -0.6471   -0.8507   2.1329
1091N   -0.5097   -0.7196   2.0129
1092H   -0.4215   -0.712   1.9643
1093CA   -0.5984   -0.6051   2.0082
1094HA   -0.642   -0.5996   2.108
1095CB   -0.5265   -0.4755   1.9718
1096HB1   -0.5971   -0.3925   1.9717
1097HB2   -0.4895   -0.4935   1.8708
1098HB3   -0.4388   -0.4555   2.0334
1099C   -0.7123   -0.6318   1.911
1100O   -0.7055   -0.594   1.7942
1101N   -0.8187   -0.682   1.9742
1102H   -0.8167   -0.7227   2.0666
1103CA   -0.9521   -0.6751   1.9182
1104HA   -0.9615   -0.7293   1.824
1105CB   -1.0504   -0.7354   2.0181
1106HB1   -1.1534   -0.7336   1.9825
1107HB2   -1.0653   -0.695   2.1182
1108HB3   -1.0279   -0.842   2.023
1109C   -0.9955   -0.532   1.89
1110O   -1.0108   -0.4464   1.977
1111N   -1.0067   -0.5052   1.7597
1112H   -0.9631   -0.5624   1.6888
1113CA   -1.0814   -0.3923   1.708
1114HA   -1.0488   -0.3106   1.7724
1115CB   -1.0611   -0.3566   1.561
1116HB1   -1.0679   -0.448   1.5019
1117HB2   -0.9601   -0.3207   1.5413
1118HB3   -1.1181   -0.2705   1.5264
1119C   -1.2309   -0.4053   1.7339
1120O   -1.3091   -0.4413   1.6461
1121N   -1.2709   -0.3939   1.8607
1122H   -1.1957   -0.3744   1.9253
1123CA   -1.3988   -0.4327   1.9166
1124HA   -1.3841   -0.4093   2.022
1125CB   -1.5088   -0.3402   1.8654
1126HB1   -1.5338   -0.3638   1.7619
1127HB2   -1.4835   -0.2342   1.8684
1128HB3   -1.5985   -0.3465   1.9271
1129C   -1.4441   -0.5774   1.9033
1130O   -1.4503   -0.6482   2.0036
1131N   -1.4715   -0.6186   1.7793
1132H   -1.4626   -0.5372   1.7201
1133CA   -1.5071   -0.7513   1.7333
1134HA   -1.6151   -0.7619   1.7436
1135CB   -1.4759   -0.7411   1.5843
1136HB1   -1.4939   -0.8247   1.5167
1137HB2   -1.3747   -0.71   1.5582
1138HB3   -1.5458   -0.6647   1.5504
1139C   -1.4497   -0.8668   1.8141
1140O   -1.3465   -0.9203   1.774
1141N   -1.5177   -0.9177   1.9171
1142H   -1.5989   -0.8637   1.9433
1143CA   -1.465   -0.9982   2.0255
1144HA   -1.397   -0.9276   2.0733
1145CB   -1.5768   -1.0336   2.1232
1146HB1   -1.6022   -0.9401   2.1732
1147HB2   -1.543   -1.094   2.2074
1148HB3   -1.6595   -1.0806   2.07
1149C   -1.3934   -1.1253   1.9822
1150O   -1.4595   -1.2193   1.9385
1151N   -1.2601   -1.1288   1.9875
1152H   -1.2104   -1.0473   2.0205
1153CA   -1.1698   -1.2192   1.9191
1154HA   -1.0727   -1.1817   1.9515
1155CB   -1.1819   -1.3571   1.9835
1156HB1   -1.1022   -1.4207   1.945
1157HB2   -1.2806   -1.4028   1.9771
1158HB3   -1.1731   -1.3605   2.0921
1159C   -1.171   -1.2239   1.767
1160O   -1.0654   -1.2244   1.7041
1161N   -1.2854   -1.1963   1.7039
1162H   -1.366   -1.2013   1.7645
1163CA   -1.3028   -1.1791   1.561
1164HA   -1.2884   -1.2749   1.511
1165CB   -1.4469   -1.1354   1.5358
1166HB1   -1.4468   -1.0862   1.4385
1167HB2   -1.4751   -1.0673   1.616
1168HB3   -1.5196   -1.2162   1.5277
1169C   -1.2077   -1.0894   1.4832
1170O   -1.1786   -1.1077   1.3652
1171N   -1.1529   -0.9861   1.5476
1172H   -1.1715   -0.9727   1.646
1173CA   -1.0537   -0.8991   1.4876
1174HA   -1.0039   -0.9588   1.4112
1175CB   -1.1205   -0.7783   1.4226
1176HB1   -1.216   -0.8125   1.3828
1177HB2   -1.0611   -0.7277   1.3465
1178HB3   -1.1309   -0.6985   1.4961
1179C   -0.9389   -0.8708   1.5834
1180O   -0.8899   -0.7582   1.5813
1181N   -0.8944   -0.9657   1.6662
1182H   -0.9364   -1.0561   1.65
1183CA   -0.7687   -0.97   1.7381
1184HA   -0.7754   -0.8936   1.8156
1185CB   -0.7537   -1.1028   1.8118
1186HB1   -0.8511   -1.1364   1.8473
1187HB2   -0.6935   -1.076   1.8987
1188HB3   -0.7012   -1.1769   1.7514
1189C   -0.6498   -0.9403   1.6478
1190O   -0.6081   -1.0351   1.5816
1191N   -0.606   -0.8142   1.6465
1192H   -0.6529   -0.7435   1.7012
1193CA   -0.5186   -0.7611   1.5438
1194HA   -0.4936   -0.8404   1.4733
1195CB   -0.5865   -0.65   1.4641
1196HB1   -0.6603   -0.6985   1.4002
1197HB2   -0.518   -0.5912   1.4031
1198HB3   -0.6215   -0.5891   1.5475
1199C   -0.3829   -0.7252   1.6026
1200O   -0.3638   -0.7477   1.7219
1201N   -0.2854   -0.6879   1.5193
1202H   -0.2984   -0.6733   1.4203
1203CH3   -0.1566   -0.6516   1.575
1204HH31   -0.1214   -0.7166   1.6551
1205HH32   -0.1629   -0.5541   1.6234
1206HH33   -0.0803   -0.6477   1.4973
1207132
1208 100. 100. 100.
1209HH31   -0.6273   -0.5386   2.1838
1210CH3   -0.6973   -0.6222   2.1825
1211HH32   -0.703   -0.6627   2.0815
1212HH33   -0.6673   -0.7042   2.2477
1213C   -0.8385   -0.5779   2.218
1214O   -0.873   -0.4627   2.1925
1215N   -0.9174   -0.667   2.2784
1216H   -0.8874   -0.7633   2.2828
1217CA   -1.0496   -0.6326   2.3269
1218HA   -1.1041   -0.5873   2.2441
1219CB   -1.1275   -0.7572   2.3682
1220HB1   -1.0867   -0.8416   2.3125
1221HB2   -1.231   -0.7463   2.336
1222HB3   -1.12   -0.7784   2.4748
1223C   -1.0443   -0.5283   2.4376
1224O   -1.1316   -0.4423   2.447
1225N   -0.9609   -0.5398   2.5412
1226H   -0.9109   -0.6273   2.5349
1227CA   -0.9534   -0.4466   2.6518
1228HA   -1.0489   -0.4026   2.6808
1229CB   -0.9081   -0.5272   2.7732
1230HB1   -0.82   -0.5889   2.7552
1231HB2   -0.9921   -0.5864   2.8095
1232HB3   -0.8839   -0.4623   2.8573
1233C   -0.8648   -0.3285   2.6146
1234O   -0.7571   -0.3039   2.6685
1235N   -0.9098   -0.2681   2.5045
1236H   -0.9986   -0.3003   2.4687
1237CA   -0.8395   -0.1677   2.4272
1238HA   -0.8139   -0.0844   2.4927
1239CB   -0.7067   -0.2222   2.3754
1240HB1   -0.7279   -0.3188   2.3295
1241HB2   -0.6285   -0.2377   2.4498
1242HB3   -0.6619   -0.1508   2.3063
1243C   -0.9372   -0.1133   2.3239
1244O   -0.9933   -0.0062   2.346
1245N   -0.9616   -0.1887   2.2165
1246H   -0.9302   -0.2846   2.2198
1247CA   -1.0352   -0.1497   2.0979
1248HA   -1.1016   -0.0693   2.1296
1249CB   -0.9289   -0.1017   1.9995
1250HB1   -0.8834   -0.1892   1.953
1251HB2   -0.8616   -0.0289   2.0449
1252HB3   -0.9703   -0.0497   1.9131
1253C   -1.1344   -0.2572   2.0561
1254O   -1.2541   -0.2354   2.0736
1255N   -1.0892   -0.3756   2.0141
1256H   -0.991   -0.396   2.0019
1257CA   -1.1733   -0.4872   1.9757
1258HA   -1.2476   -0.5122   2.0515
1259CB   -1.2502   -0.4487   1.8496
1260HB1   -1.3045   -0.3553   1.8641
1261HB2   -1.3196   -0.5255   1.8152
1262HB3   -1.1778   -0.4329   1.7697
1263C   -1.0856   -0.6055   1.9373
1264O   -0.9662   -0.5905   1.9123
1265N   -1.1481   -0.7235   1.9381
1266H   -1.2473   -0.7223   1.9565
1267CA   -1.0897   -0.8471   1.8899
1268HA   -0.9885   -0.8584   1.9286
1269CB   -1.1719   -0.9611   1.9494
1270HB1   -1.2756   -0.944   1.9202
1271HB2   -1.1707   -0.9564   2.0583
1272HB3   -1.1446   -1.0634   1.9238
1273C   -1.0834   -0.8469   1.7378
1274O   -1.1354   -0.9399   1.6766
1275N   -1.0102   -0.7576   1.6707
1276H   -0.9737   -0.6845   1.73
1277CA   -1.0193   -0.7306   1.5286
1278HA   -1.1225   -0.7046   1.5048
1279CB   -0.9479   -0.5997   1.4962
1280HB1   -0.842   -0.5957   1.5216
1281HB2   -1.0067   -0.5281   1.5536
1282HB3   -0.9622   -0.5826   1.3895
1283C   -0.9694   -0.8413   1.4368
1284O   -1.0441   -0.9133   1.371
1285N   -0.8379   -0.8633   1.4304
1286H   -0.7638   -0.8141   1.4783
1287CA   -0.7778   -0.9822   1.3734
1288HA   -0.7956   -0.9722   1.2663
1289CB   -0.6268   -0.969   1.3906
1290HB1   -0.5655   -1.0524   1.3563
1291HB2   -0.6007   -0.9561   1.4956
1292HB3   -0.5859   -0.8874   1.3309
1293C   -0.8356   -1.1135   1.4243
1294O   -0.8497   -1.206   1.3446
1295N   -0.8677   -1.1272   1.5532
1296H   -0.848   -1.0541   1.62
1297CA   -0.9111   -1.2541   1.6079
1298HA   -0.8316   -1.3271   1.5925
1299CB   -0.9227   -1.2433   1.7597
1300HB1   -0.9663   -1.3345   1.8004
1301HB2   -1.0039   -1.1737   1.7809
1302HB3   -0.8299   -1.2008   1.7978
1303C   -1.0426   -1.3057   1.5512
1304O   -1.0599   -1.4173   1.5026
1305N   -1.1411   -1.216   1.543
1306H   -1.1328   -1.1277   1.5914
1307CA   -1.2738   -1.2403   1.4902
1308HA   -1.3137   -1.3313   1.535
1309CB   -1.3597   -1.1237   1.5385
1310HB1   -1.3433   -1.1114   1.6455
1311HB2   -1.4618   -1.1565   1.5189
1312HB3   -1.348   -1.0373   1.4731
1313C   -1.2747   -1.2495   1.3383
1314O   -1.3512   -1.3262   1.2802
1315N   -1.1922   -1.1707   1.269
1316H   -1.1237   -1.1077   1.3083
1317CA   -1.1513   -1.1982   1.1327
1318HA   -1.2372   -1.176   1.0693
1319CB   -1.0416   -1.1019   1.0881
1320HB1   -1.034   -1.1113   0.9798
1321HB2   -0.9443   -1.1358   1.1235
1322HB3   -1.0724   -1.0009   1.1152
1323C   -1.0894   -1.3328   1.098
1324O   -1.1352   -1.3977   1.0042
1325N   -0.9896   -1.387   1.1682
1326H   -0.9408   -1.3202   1.226
1327CA   -0.9417   -1.5219   1.1456
1328HA   -0.9183   -1.533   1.0397
1329CB   -0.8119   -1.5322   1.2252
1330HB1   -0.7397   -1.4552   1.1982
1331HB2   -0.7645   -1.6289   1.2085
1332HB3   -0.8257   -1.5162   1.3322
1333C   -1.0474   -1.6237   1.1859
1334O   -1.0773   -1.7205   1.1162
1335N   -1.0886   -1.6161   1.3126
1336H   -1.0569   -1.5344   1.3629
1337CH3   -1.1572   -1.7212   1.385
1338HH31   -1.195   -1.794   1.3133
1339HH32   -1.2449   -1.6718   1.4269
1340HH33   -1.087   -1.7662   1.4552
1341132
1342 100. 100. 100.
1343HH31   -0.2903   -0.4936   2.2511
1344CH3   -0.3554   -0.4221   2.3013
1345HH32   -0.3134   -0.3702   2.3875
1346HH33   -0.3845   -0.3471   2.2278
1347C   -0.4693   -0.5062   2.3572
1348O   -0.4404   -0.6134   2.4099
1349N   -0.5902   -0.4497   2.3617
1350H   -0.606   -0.3656   2.3079
1351CA   -0.7023   -0.4967   2.4405
1352HA   -0.6978   -0.6055   2.4363
1353CB   -0.6758   -0.4641   2.5872
1354HB1   -0.5739   -0.4911   2.6149
1355HB2   -0.7353   -0.5343   2.6456
1356HB3   -0.6909   -0.3588   2.611
1357C   -0.8361   -0.4435   2.3912
1358O   -0.8479   -0.4099   2.2736
1359N   -0.9318   -0.4365   2.484
1360H   -0.9173   -0.4698   2.5783
1361CA   -1.0652   -0.3821   2.4689
1362HA   -1.1217   -0.4317   2.5479
1363CB   -1.0601   -0.2317   2.494
1364HB1   -1.1624   -0.1962   2.4817
1365HB2   -0.9933   -0.1823   2.4235
1366HB3   -1.0219   -0.2109   2.594
1367C   -1.1273   -0.4334   2.3397
1368O   -1.146   -0.5518   2.3125
1369N   -1.1584   -0.338   2.2517
1370H   -1.1465   -0.2436   2.2858
1371CA   -1.2114   -0.361   2.1188
1372HA   -1.2996   -0.4233   2.1335
1373CB   -1.2354   -0.2218   2.0611
1374HB1   -1.2804   -0.2439   1.9642
1375HB2   -1.1446   -0.1632   2.0471
1376HB3   -1.2965   -0.1578   2.1247
1377C   -1.1097   -0.4227   2.0238
1378O   -1.145   -0.4982   1.9335
1379N   -0.983   -0.3817   2.0324
1380H   -0.9502   -0.3307   2.1133
1381CA   -0.8819   -0.4197   1.9358
1382HA   -0.9196   -0.3863   1.8391
1383CB   -0.7542   -0.337   1.9474
1384HB1   -0.6826   -0.3634   1.8695
1385HB2   -0.7092   -0.3472   2.0461
1386HB3   -0.7687   -0.2325   1.92
1387C   -0.8642   -0.5708   1.9317
1388O   -0.8759   -0.627   1.8231
1389N   -0.8504   -0.6334   2.0489
1390H   -0.8457   -0.5752   2.1313
1391CA   -0.8501   -0.7758   2.0754
1392HA   -0.7596   -0.8264   2.0419
1393CB   -0.8502   -0.8017   2.2258
1394HB1   -0.8422   -0.9104   2.2284
1395HB2   -0.9411   -0.7669   2.2749
1396HB3   -0.7644   -0.7542   2.2734
1397C   -0.9644   -0.8426   2.0003
1398O   -0.9443   -0.9298   1.9161
1399N   -1.088   -0.8017   2.0301
1400H   -1.0928   -0.7245   2.0951
1401CA   -1.2132   -0.8486   1.9741
1402HA   -1.2101   -0.9541   2.0013
1403CB   -1.3285   -0.7762   2.043
1404HB1   -1.3551   -0.817   2.1405
1405HB2   -1.4177   -0.7965   1.9837
1406HB3   -1.3135   -0.6683   2.0477
1407C   -1.2179   -0.8401   1.8222
1408O   -1.2545   -0.938   1.7575
1409N   -1.1825   -0.7259   1.7628
1410H   -1.1632   -0.6471   1.823
1411CA   -1.1576   -0.7141   1.6206
1412HA   -1.252   -0.7467   1.5768
1413CB   -1.1186   -0.5684   1.5976
1414HB1   -1.1223   -0.5491   1.4903
1415HB2   -1.0201   -0.5462   1.6385
1416HB3   -1.1878   -0.5004   1.6472
1417C   -1.0519   -0.8129   1.5735
1418O   -1.0699   -0.8821   1.4735
1419N   -0.9422   -0.8269   1.6483
1420H   -0.9334   -0.7637   1.7266
1421CA   -0.8342   -0.9176   1.615
1422HA   -0.797   -0.897   1.5146
1423CB   -0.7092   -0.9012   1.701
1424HB1   -0.6274   -0.946   1.6446
1425HB2   -0.7271   -0.9402   1.8012
1426HB3   -0.688   -0.7949   1.7123
1427C   -0.8863   -1.0605   1.6093
1428O   -0.8634   -1.1312   1.5114
1429N   -0.9608   -1.1038   1.7113
1430H   -0.9734   -1.0496   1.7956
1431CA   -1.0241   -1.2339   1.7036
1432HA   -0.9468   -1.3089   1.6868
1433CB   -1.0865   -1.2775   1.8358
1434HB1   -1.0134   -1.289   1.9159
1435HB2   -1.1333   -1.3758   1.83
1436HB3   -1.168   -1.2074   1.8536
1437C   -1.1252   -1.242   1.5902
1438O   -1.1313   -1.3381   1.5137
1439N   -1.2077   -1.1404   1.5641
1440H   -1.2028   -1.058   1.6224
1441CA   -1.324   -1.1571   1.4793
1442HA   -1.3825   -1.244   1.5092
1443CB   -1.4149   -1.0357   1.4962
1444HB1   -1.4666   -1.0421   1.592
1445HB2   -1.4958   -1.0505   1.4246
1446HB3   -1.3665   -0.9383   1.4903
1447C   -1.2856   -1.171   1.3327
1448O   -1.3258   -1.2594   1.2572
1449N   -1.1988   -1.0808   1.2863
1450H   -1.1486   -1.0217   1.3509
1451CA   -1.1525   -1.0652   1.1498
1452HA   -1.2326   -1.086   1.079
1453CB   -1.1041   -0.9227   1.1245
1454HB1   -1.0469   -0.9211   1.0317
1455HB2   -1.0376   -0.8769   1.1977
1456HB3   -1.1868   -0.8534   1.1089
1457C   -1.0402   -1.1612   1.1131
1458O   -1.0289   -1.1958   0.9957
1459N   -0.9564   -1.1942   1.2117
1460H   -0.98   -1.1503   1.2995
1461CA   -0.8413   -1.2797   1.191
1462HA   -0.8427   -1.3236   1.0913
1463CB   -0.7175   -1.1916   1.206
1464HB1   -0.6353   -1.2626   1.2153
1465HB2   -0.7221   -1.1471   1.3054
1466HB3   -0.6859   -1.1207   1.1295
1467C   -0.8443   -1.4065   1.2751
1468O   -0.8599   -1.5134   1.2166
1469N   -0.8294   -1.4   1.4076
1470H   -0.8321   -1.3054   1.4429
1471CH3   -0.8343   -1.5143   1.4966
1472HH31   -0.9377   -1.534   1.5249
1473HH32   -0.772   -1.496   1.5842
1474HH33   -0.8059   -1.6078   1.4483
1475132
1476 100. 100. 100.
1477HH31   0.0719   -1.0155   1.8871
1478CH3   0.0342   -0.9163   1.912
1479HH32   0.0467   -0.8869   2.0162
1480HH33   0.0759   -0.8309   1.8585
1481C   -0.1141   -0.9265   1.8792
1482O   -0.1527   -0.9711   1.7715
1483N   -0.207   -0.8868   1.9664
1484H   -0.1739   -0.8481   2.0537
1485CA   -0.3513   -0.8991   1.9619
1486HA   -0.3857   -0.9265   1.8622
1487CB   -0.4042   -0.9983   2.0651
1488HB1   -0.5131   -0.9971   2.0713
1489HB2   -0.3692   -0.9631   2.1621
1490HB3   -0.3827   -1.1024   2.0408
1491C   -0.4146   -0.7633   1.989
1492O   -0.426   -0.7207   2.1038
1493N   -0.4567   -0.6923   1.8841
1494H   -0.4405   -0.7288   1.7914
1495CA   -0.5332   -0.5706   1.9021
1496HA   -0.4997   -0.5101   1.9864
1497CB   -0.5235   -0.4721   1.7859
1498HB1   -0.4193   -0.4505   1.7626
1499HB2   -0.5784   -0.3814   1.8111
1500HB3   -0.5619   -0.5266   1.6997
1501C   -0.6786   -0.6104   1.9234
1502O   -0.7378   -0.6818   1.8428
1503N   -0.7386   -0.5626   2.0326
1504H   -0.6891   -0.5213   2.1103
1505CA   -0.8758   -0.5935   2.0677
1506HA   -0.869   -0.702   2.0753
1507CB   -0.9043   -0.5339   2.2052
1508HB1   -0.8937   -0.4255   2.2001
1509HB2   -0.8464   -0.5754   2.2878
1510HB3   -1.0109   -0.5454   2.2246
1511C   -0.9806   -0.5565   1.9637
1512O   -0.9717   -0.4487   1.9055
1513N   -1.0786   -0.6443   1.9409
1514H   -1.0788   -0.7246   2.0021
1515CA   -1.1862   -0.6098   1.8502
1516HA   -1.1906   -0.5019   1.8354
1517CB   -1.1562   -0.6663   1.7116
1518HB1   -1.1367   -0.7735   1.7121
1519HB2   -1.0762   -0.6041   1.6713
1520HB3   -1.2422   -0.65   1.6465
1521C   -1.3204   -0.6552   1.9057
1522O   -1.4251   -0.6002   1.8723
1523N   -1.3269   -0.7618   1.9858
1524H   -1.2354   -0.8025   1.9987
1525CA   -1.4369   -0.8189   2.0609
1526HA   -1.3936   -0.9179   2.075
1527CB   -1.4608   -0.7508   2.1953
1528HB1   -1.5586   -0.7846   2.2295
1529HB2   -1.4787   -0.6446   2.1785
1530HB3   -1.38   -0.7852   2.26
1531C   -1.5681   -0.8331   1.985
1532O   -1.6073   -0.9436   1.9481
1533N   -1.6389   -0.722   1.9636
1534H   -1.5783   -0.6474   1.9949
1535CA   -1.7493   -0.7011   1.8721
1536HA   -1.8316   -0.7528   1.9214
1537CB   -1.7833   -0.5525   1.8657
1538HB1   -1.6943   -0.4895   1.8649
1539HB2   -1.8483   -0.5227   1.948
1540HB3   -1.839   -0.5205   1.7776
1541C   -1.7285   -0.7617   1.734
1542O   -1.8055   -0.8434   1.684
1543N   -1.6168   -0.729   1.6686
1544H   -1.546   -0.681   1.7222
1545CA   -1.5961   -0.7596   1.5284
1546HA   -1.6882   -0.7901   1.4788
1547CB   -1.5475   -0.6349   1.455
1548HB1   -1.6191   -0.5541   1.4704
1549HB2   -1.5413   -0.6569   1.3485
1550HB3   -1.4476   -0.6202   1.496
1551C   -1.5095   -0.8841   1.5152
1552O   -1.4058   -0.8883   1.4494
1553N   -1.5555   -0.9846   1.5901
1554H   -1.6492   -0.9732   1.6261
1555CA   -1.4801   -1.0903   1.6544
1556HA   -1.5514   -1.1318   1.7257
1557CB   -1.4528   -1.209   1.5625
1558HB1   -1.418   -1.1685   1.4675
1559HB2   -1.5439   -1.2671   1.5482
1560HB3   -1.3694   -1.2653   1.6043
1561C   -1.362   -1.0423   1.7375
1562O   -1.3312   -0.9239   1.7488
1563N   -1.2996   -1.1343   1.8115
1564H   -1.3208   -1.2325   1.8012
1565CA   -1.2245   -1.1122   1.9334
1566HA   -1.2939   -1.0799   2.011
1567CB   -1.1615   -1.2439   1.978
1568HB1   -1.0949   -1.282   1.9006
1569HB2   -1.2379   -1.317   2.0044
1570HB3   -1.1021   -1.2275   2.0679
1571C   -1.1102   -1.0129   1.9183
1572O   -1.1062   -0.9147   1.9921
1573N   -1.0125   -1.0363   1.8304
1574H   -1.0203   -1.1264   1.7855
1575CA   -0.8932   -0.9547   1.8205
1576HA   -0.9243   -0.8505   1.8286
1577CB   -0.7957   -0.9883   1.933
1578HB1   -0.8397   -0.9534   2.0264
1579HB2   -0.6989   -0.9381   1.9309
1580HB3   -0.7885   -1.097   1.9337
1581C   -0.8255   -0.9767   1.6859
1582O   -0.8572   -1.0749   1.6193
1583N   -0.737   -0.8822   1.6536
1584H   -0.7309   -0.797   1.7076
1585CA   -0.6678   -0.8823   1.5262
1586HA   -0.6881   -0.9746   1.4719
1587CB   -0.7144   -0.77   1.434
1588HB1   -0.8199   -0.7781   1.4078
1589HB2   -0.6608   -0.7749   1.3392
1590HB3   -0.7044   -0.6799   1.4945
1591C   -0.5176   -0.8814   1.5504
1592O   -0.467   -0.8196   1.6438
1593N   -0.4376   -0.9463   1.4654
1594H   -0.4807   -0.9842   1.3822
1595CA   -0.2927   -0.945   1.4648
1596HA   -0.2656   -0.9836   1.5631
1597CB   -0.2435   -1.0469   1.3624
1598HB1   -0.2937   -1.0187   1.2698
1599HB2   -0.2697   -1.1494   1.3885
1600HB3   -0.135   -1.0426   1.3535
1601C   -0.2347   -0.8086   1.4304
1602O   -0.2774   -0.7438   1.3351
1603N   -0.1407   -0.7645   1.5143
1604H   -0.1028   -0.8276   1.5834
1605CH3   -0.0782   -0.6355   1.4931
1606HH31   0.0191   -0.6293   1.5417
1607HH32   -0.1488   -0.5672   1.5404
1608HH33   -0.0738   -0.6169   1.3857
1609