0 mol 16 unq 0 iso 0 dist 6.36377 6.55076 8.33883 4.78943 5.05803 5.38671 9.30877 5.01101 11.3479 6.42835 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 6.55076 8.33883 4.78943 5.05803 5.38671 9.8871 4.65873 8.63347 6.57331 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.36377 6.55076 8.33883 5.48395 6.31718 5.45161 9.8871 4.65873 8.63347 8.43054 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.11056 13.7241 9.90845 10.4744 8.86116 9.59761 10.4056 5.11636 10.1898 7.95042 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 11.0096 8.80331 10.323 12.266 5.41726 10.872 6.6263 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 11.8286 6.20293 14.445 12.266 5.41726 10.872 6.75943 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 6.90827 13.2842 9.85576 10.4485 7.90328 10.4589 15.0886 10.5783 13.8641 6.10127 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 6.90827 13.2842 9.85576 5.27151 7.83136 14.2649 6.78655 3.55765 13.2718 8.19331 numMergedOcc 0
8 mol 117 unq 2 iso 0 dist 6.90827 13.2842 9.85576 4.45276 7.0603 9.53886 6.78655 3.55765 13.2718 8.85711 numMergedOcc 0
9 mol 117 unq 3 iso 0 dist 8.90977 12.0106 9.85576 13.8755 7.90328 10.4589 18.6425 10.5783 13.8641 6.10127 numMergedOcc 0
10 mol 117 unq 4 iso 0 dist 8.90977 12.0106 9.85576 10.6616 7.83136 14.2649 9.42037 3.55765 13.2718 8.19331 numMergedOcc 0
11 mol 117 unq 5 iso 0 dist 8.90977 12.0106 9.85576 4.98254 7.0603 9.53886 9.42037 3.55765 13.2718 8.85711 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 10.4039 8.56324 9.66339 12.0918 5.39112 10.3465 6.59889 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.07256 8.50267 9.10619 10.4039 8.56324 9.66339 11.756 4.84714 8.78112 8.9192 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 8.07256 8.50267 9.10619 11.1874 6.70283 13.9994 12.0918 5.39112 10.3465 6.70693 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 8.39002 9.97999 9.33771 5.72088 6.57273 4.91322 6.32334 7.05804 11.6785 8.79428 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 8.39002 9.97999 9.33771 6.51315 5.78342 12.979 6.32334 7.05804 11.6785 6.8692 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 8.46129 9.97999 7.39839 6.31508 6.65832 7.65225 6.32334 5.76843 11.6785 6.99769 numMergedOcc 0
18 mol 224 unq 3 iso 0 dist 8.46129 9.97999 7.39839 5.72088 6.60589 4.91322 6.32334 5.76843 11.6785 8.79428 numMergedOcc 0
19 mol 224 unq 4 iso 0 dist 8.46129 9.97999 7.39839 6.51315 9.16166 12.979 6.32334 5.76843 11.6785 6.8692 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.07872 9.99433 9.64299 9.9474 7.09863 7.69739 13.0848 5.83175 10.3251 5.23634 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 9.05929 6.83211 8.77254 4.32403 8.04248 5.74377 10.5185 4.66414 6.92437 8.23087 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 6.44212 11.0479 6.37342 7.97883 6.16342 5.29737 14.1679 10.6736 7.69491 6.73665 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.90645 6.13878 6.77279 10.4985 8.13497 5.71237 16.793 12.2293 12.5187 9.46361 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 9.54857 5.09929 7.93997 15.3806 7.46176 14.8465 13.6312 5.21606 10.8564 9.63573 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 9.54857 5.09929 7.93997 15.3806 7.46176 14.8465 21.0823 11.8896 19.7286 7.66153 numMergedOcc 0
