0 mol 45 unq 0 iso 0 dist 7.2846 6.34173 4.71384 9.33906 6.42339 6.00679 5.84319 12.3849 9.44125 12.4561 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 7.58835 6.34173 5.67689 9.33906 5.1274 6.00679 5.84319 8.27463 9.44125 12.4561 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 9.73086 17.4121 6.15714 4.73407 6.23522 7.78587 11.6307 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 9.73086 5.70116 6.15714 4.73407 11.3218 7.78587 11.6307 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 5.17781 11.3218 7.78587 13.1414 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 5.17781 11.3218 7.78587 11.6307 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 9.75218 8.70133 15.9882 9.73086 14.844 6.15714 4.73407 12.8353 7.78587 11.6307 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 6.97941 9.49449 6.06861 9.6952 8.66662 14.5852 3.69293 7.61521 8.90522 10.9358 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 8.3773 4.46885 7.94489 12.3859 9.68271 7.03417 11.5595 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 9.30299 9.81878 4.77464 6.08673 12.8087 12.2579 12.7606 5.39356 7.79077 17.4196 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 7.81207 4.67662 5.26247 4.05822 8.04118 5.69323 5.42679 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 9.2313 7.15475 9.49653 7.18002 13.5913 12.2806 4.05822 8.04118 5.69323 11.1832 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 5.31024 9.07935 9.49653 6.14151 4.67662 5.26247 4.7832 8.04118 5.69323 5.42679 numMergedOcc 0
13 mol 142 unq 3 iso 0 dist 7.73169 7.15475 7.53854 7.81207 5.81599 5.26247 4.05822 8.39035 5.69323 5.42679 numMergedOcc 0
14 mol 142 unq 4 iso 0 dist 7.73169 7.15475 7.53854 7.18002 9.99555 12.2806 4.05822 8.39035 5.69323 11.1832 numMergedOcc 0
15 mol 142 unq 5 iso 0 dist 7.26382 9.07935 7.53854 6.14151 5.81599 5.26247 4.7832 8.39035 5.69323 5.42679 numMergedOcc 0
16 mol 142 unq 6 iso 0 dist 8.96657 7.15475 10.3477 7.81207 11.1 5.26247 4.05822 11.6454 5.69323 5.42679 numMergedOcc 0
17 mol 142 unq 7 iso 0 dist 8.96657 7.15475 10.3477 7.18002 6.52253 12.2806 4.05822 11.6454 5.69323 11.1832 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 7.10633 5.90931 5.09262 7.9133 10.7169 11.2106 6.49075 12.9966 9.58537 10.9013 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 8.51516 5.90931 12.9483 7.9133 5.57347 11.2106 6.49075 13.0232 9.58537 10.9013 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.41367 7.61951 7.08796 8.2123 4.49451 4.42755 4.86965 13.3238 9.43419 11.8153 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 12.7879 18.009 5.69634 11.3034 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 12.7879 18.009 7.91374 11.3034 numMergedOcc 0
23 mol 234 unq 2 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 12.7879 15.3921 5.69634 11.3034 numMergedOcc 0
24 mol 234 unq 3 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 12.7879 15.3921 7.91374 11.3034 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 9.63573 7.20604 9.98303 6.65799 12.9913 9.28024 15.6825 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 7.66153 8.8603 14.0829 6.65799 12.9913 9.28024 13.4331 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 7.84554 7.48005 11.8736 9.63573 5.05362 9.98303 6.65799 14.3297 9.28024 15.6825 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 7.84554 7.48005 11.8736 7.66153 5.8801 14.0829 6.65799 14.3297 9.28024 13.4331 numMergedOcc 0
29 mol 259 unq 4 iso 0 dist 7.46176 7.48005 5.79468 9.63573 5.21606 9.98303 6.65799 11.9533 9.28024 15.6825 numMergedOcc 0
30 mol 259 unq 5 iso 0 dist 7.46176 7.48005 5.79468 7.66153 11.8896 14.0829 6.65799 11.9533 9.28024 13.4331 numMergedOcc 0
31 mol 259 unq 6 iso 0 dist 5.30224 6.77938 4.99891 8.03219 4.04513 8.90322 5.96249 9.18798 8.22608 12.3781 numMergedOcc 0
32 mol 259 unq 7 iso 0 dist 5.30224 6.77938 4.99891 8.03219 4.04513 8.90322 5.97386 8.25897 5.23503 12.1864 numMergedOcc 0
33 mol 259 unq 8 iso 0 dist 5.30224 6.77938 4.99891 6.9899 7.09907 9.2872 5.96249 9.18798 8.22608 12.745 numMergedOcc 0
34 mol 259 unq 9 iso 0 dist 5.30224 6.77938 4.99891 6.9899 7.09907 9.2872 5.97386 8.25897 5.23503 10.838 numMergedOcc 0
35 mol 259 unq 10 iso 0 dist 5.30224 7.76676 5.32839 8.03219 4.04513 7.27192 5.97386 8.25897 9.61028 12.1864 numMergedOcc 0
36 mol 259 unq 11 iso 0 dist 5.30224 7.76676 5.32839 6.9899 7.09907 4.61451 5.97386 8.25897 9.61028 10.838 numMergedOcc 0
37 mol 259 unq 12 iso 0 dist 9.18903 7.48005 12.6649 9.63573 7.46841 9.98303 6.65799 15.5673 9.28024 15.6825 numMergedOcc 0
38 mol 259 unq 13 iso 0 dist 9.18903 7.48005 12.6649 7.66153 5.81576 14.0829 6.65799 15.5673 9.28024 13.4331 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 9.7748 9.41725 6.58374 9.35539 11.4555 7.07508 7.75371 5.69112 9.62597 10.9065 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 9.7748 9.41725 6.58374 8.9682 17.6038 18.3854 7.75371 5.69112 9.62597 13.9096 numMergedOcc 0
41 mol 277 unq 2 iso 0 dist 9.7748 9.41725 6.58374 6.92711 14.772 16.1088 7.75371 5.69112 9.62597 11.5963 numMergedOcc 0
