0 mol 8 unq 0 iso 0 dist 9.91301 5.74143 7.45487 8.25051 9.62879 5.43751 7.46102 8.4069 9.49106 8.96553 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.76968 5.98953 5.84479 4.2139 6.31718 5.35079 8.8641 6.92781 9.18436 5.05803 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.76968 5.98953 5.84479 12.1754 7.63133 6.53177 13.862 5.32694 8.67719 5.46498 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 9.76968 5.98953 5.84479 12.1754 7.63133 6.53177 19.1237 10.4155 13.4596 8.71745 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 6.36377 6.55076 8.33883 5.48395 6.31718 5.45161 12.9591 10.8455 9.79958 7.63133 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.11056 13.7241 9.90845 10.4744 8.86116 9.59761 14.4535 10.0952 10.6042 6.86014 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 11.8286 6.20293 14.445 13.3732 5.06502 13.964 5.73819 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 11.8286 6.20293 14.445 12.9363 6.45462 15.3221 8.93915 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.36193 7.63046 7.84983 5.40367 6.62496 11.5882 9.01612 5.30792 12.9335 6.86465 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.36193 7.63046 7.84983 5.40367 6.62496 11.5882 4.88613 4.81926 9.56737 6.35756 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 4.88613 7.63046 9.56737 5.40367 6.35756 11.5882 9.01612 5.35073 12.9335 6.86465 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 4.88613 7.63046 9.56737 5.40367 6.35756 11.5882 6.36193 4.81926 7.84983 6.62496 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 6.90827 13.2842 9.85576 10.4485 7.90328 10.4589 18.7881 13.1058 12.1493 9.84395 numMergedOcc 0
13 mol 117 unq 1 iso 0 dist 8.90977 12.0106 9.85576 13.8755 7.90328 10.4589 20.7361 13.1058 12.1493 9.84395 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 9.42513 14.6411 8.40046 8.60326 9.30299 9.75166 10.0998 7.30196 12.4824 8.14887 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 9.28278 4.99299 6.29026 14.5776 8.54584 11.5533 12.3446 4.61027 10.5241 8.53613 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 7.81337 6.68239 8.97145 11.4498 6.85062 14.257 15.7871 10.7062 19.4361 8.40312 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 7.81337 6.68239 8.97145 11.4498 6.85062 14.257 10.4432 6.63273 14.5129 7.12972 numMergedOcc 0
18 mol 131 unq 2 iso 0 dist 7.81337 7.74794 6.5874 11.4498 6.85062 7.60371 15.7871 10.7062 15.1013 8.40312 numMergedOcc 0
19 mol 131 unq 3 iso 0 dist 7.81337 7.74794 6.5874 11.4498 6.85062 7.60371 10.4432 6.63273 11.4628 7.12972 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 11.1874 6.70283 13.9994 13.1529 5.42328 13.6844 5.87555 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 8.07256 8.50267 9.10619 11.1874 6.70283 13.9994 12.6103 6.4896 15.1988 8.67331 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 8.07256 8.50267 9.10619 8.36099 7.16148 14.2552 13.1529 5.42328 13.6844 8.87437 numMergedOcc 0
23 mol 152 unq 3 iso 0 dist 8.07256 8.50267 9.10619 8.36099 7.16148 14.2552 12.6103 6.4896 15.1988 8.05741 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.39002 9.97999 9.33771 5.72088 6.57273 4.91322 8.46129 5.0744 7.39839 6.60589 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 8.39002 9.97999 9.33771 6.51315 5.78342 12.979 8.46129 5.0744 7.39839 9.16166 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 8.39002 9.97999 9.33771 6.51315 5.78342 12.979 9.2053 5.60236 13.527 5.81334 numMergedOcc 0
27 mol 224 unq 3 iso 0 dist 8.46129 9.97999 7.39839 5.72088 6.60589 4.91322 8.39002 5.0744 9.33771 6.57273 numMergedOcc 0
28 mol 224 unq 4 iso 0 dist 8.46129 9.97999 7.39839 6.51315 9.16166 12.979 8.39002 5.0744 9.33771 5.78342 numMergedOcc 0
29 mol 224 unq 5 iso 0 dist 8.46129 9.97999 7.39839 6.51315 9.16166 12.979 9.2053 6.91102 13.527 5.81334 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 9.07872 9.99433 9.64299 9.9474 7.09863 7.69739 11.3366 4.39704 12.7101 7.22101 numMergedOcc 0
31 mol 231 unq 0 iso 0 dist 8.01942 7.25343 6.14348 8.55683 8.40182 5.3251 9.97221 4.06055 7.79865 7.37839 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 9.05929 6.83211 8.77254 4.38595 8.35971 10.054 11.3361 14.2337 16.0921 8.03456 numMergedOcc 0
33 mol 236 unq 1 iso 0 dist 9.05929 6.83211 8.77254 4.38595 8.35971 10.054 9.89665 14.7998 16.2964 6.84306 numMergedOcc 0
34 mol 236 unq 2 iso 0 dist 9.05929 6.83211 8.77254 4.38595 8.35971 10.054 14.0991 10.7497 17.6586 9.99038 numMergedOcc 0
35 mol 236 unq 3 iso 0 dist 9.05929 6.83211 8.77254 4.38595 8.35971 10.054 11.8422 12.0369 13.4564 9.78037 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 5.90645 6.13878 6.77279 10.4985 8.13497 5.71237 9.73107 4.69778 9.58006 7.88519 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 9.54857 5.09929 7.93997 15.3806 7.46176 14.8465 14.0139 6.96053 13.8509 7.88519 numMergedOcc 0
38 mol 259 unq 2 iso 0 dist 9.54857 5.09929 7.93997 15.3806 7.46176 14.8465 16.6234 7.64658 14.9816 7.84554 numMergedOcc 0
39 mol 259 unq 3 iso 0 dist 9.54857 5.09929 7.93997 15.3806 7.46176 14.8465 20.0172 10.5239 17.3348 9.18903 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 8.19504 9.00704 6.75305 3.93713 6.24356 10.0289 13.1873 10.3202 16.8589 9.361 numMergedOcc 0
41 mol 272 unq 0 iso 0 dist 9.96394 5.76243 6.94346 11.5918 8.33638 9.58279 13.3211 5.40809 11.7245 8.46116 numMergedOcc 0
