0 mol 7 unq 0 iso 0 dist 7.88043 7.78327 10.6558 12.2041 5.72491 14.0084 12.8323 8.15894 17.9276 7.12508 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.93832 7.39848 6.59887 8.13395 8.60739 11.4251 10.8828 7.24352 12.2699 5.07458 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 6.43433 6.87434 4.25001 5.0812 9.92283 11.5809 10.5563 5.43933 9.24706 12.6108 numMergedOcc 0
3 mol 112 unq 1 iso 0 dist 6.43433 6.87434 4.25001 5.0812 9.92283 11.5809 6.95317 4.99604 5.92828 10.9279 numMergedOcc 0
4 mol 112 unq 2 iso 0 dist 6.43433 6.87434 4.25001 5.0812 9.92283 11.5809 13.5094 9.97483 14.0864 13.764 numMergedOcc 0
5 mol 112 unq 3 iso 0 dist 6.43433 6.87434 4.25001 5.0812 9.92283 11.5809 6.75738 7.44041 10.3476 5.43385 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.29384 8.80895 9.6795 13.2572 9.15431 17.4411 12.6005 6.78801 14.4726 4.57579 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 9.29384 8.80895 9.6795 6.63273 6.92648 12.9064 12.6005 6.78801 14.4726 8.57203 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.69515 7.46621 10.7652 6.21253 7.86572 13.6589 13.2918 6.77921 15.9403 13.4066 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 7.15222 6.28351 12.4684 12.068 9.43989 16.7208 5.59468 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.77552 7.55934 6.69469 7.65448 8.28642 11.2397 12.4535 6.92726 12.0843 9.84297 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 7.24795 5.90765 9.28201 9.41955 9.56197 14.8324 3.90244 8.57801 8.92135 6.89047 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 7.24795 5.90765 9.28201 13.684 8.64409 17.3863 3.90244 8.57801 8.92135 12.6058 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 7.24795 5.90765 9.28201 9.45987 7.60202 13.011 3.90244 8.57801 8.92135 7.21555 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 8.0179 8.12346 11.2599 10.0756 5.53324 4.45769 10.2793 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 6.26839 9.52922 7.82899 8.0179 8.12346 11.2599 11.8031 6.72182 12.9621 9.09233 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 6.26839 9.52922 7.82899 14.6506 8.83356 14.7152 10.0756 5.53324 4.45769 10.463 numMergedOcc 0
17 mol 194 unq 3 iso 0 dist 6.26839 9.52922 7.82899 14.6506 8.83356 14.7152 11.8031 6.72182 12.9621 4.66791 numMergedOcc 0
18 mol 194 unq 4 iso 0 dist 6.26839 9.52922 7.82899 8.48054 8.2654 14.7929 10.0756 5.53324 4.45769 12.8494 numMergedOcc 0
19 mol 194 unq 5 iso 0 dist 6.26839 9.52922 7.82899 8.48054 8.2654 14.7929 11.8031 6.72182 12.9621 7.73551 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 6.60567 6.59544 11.5264 10.7531 7.62942 16.1245 5.41635 6.34234 10.4086 6.04871 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 6.60567 6.59544 11.5264 10.7531 7.62942 16.1245 11.9954 7.87972 18.2938 8.04534 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 8.10985 6.77156 13.3432 11.6493 9.18635 17.8926 9.76488 8.8864 16.5069 5.33039 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 8.10985 6.77156 13.3432 11.6493 9.18635 17.8926 6.0599 8.12201 12.3339 10.1469 numMergedOcc 0
24 mol 198 unq 2 iso 0 dist 8.10985 6.77156 13.3432 11.6493 9.18635 17.8926 6.05382 5.45162 12.4328 5.76471 numMergedOcc 0
25 mol 198 unq 3 iso 0 dist 8.10985 7.97894 12.4245 11.6493 9.18635 19.0958 9.76488 8.8864 16.8247 5.33039 numMergedOcc 0
26 mol 198 unq 4 iso 0 dist 8.10985 7.97894 12.4245 11.6493 9.18635 19.0958 6.0599 8.12201 11.6674 10.1469 numMergedOcc 0
27 mol 198 unq 5 iso 0 dist 8.10985 7.97894 12.4245 11.6493 9.18635 19.0958 6.05382 5.45162 13.3333 5.76471 numMergedOcc 0
28 mol 198 unq 6 iso 0 dist 8.10985 8.08471 5.45278 11.6493 9.18635 14.037 9.76488 8.8864 13.4892 5.33039 numMergedOcc 0
29 mol 198 unq 7 iso 0 dist 8.10985 8.08471 5.45278 11.6493 9.18635 14.037 6.0599 8.12201 10.6821 10.1469 numMergedOcc 0
30 mol 198 unq 8 iso 0 dist 8.10985 8.08471 5.45278 11.6493 9.18635 14.037 6.05382 5.45162 9.18405 5.76471 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 6.29511 7.84952 5.46009 4.72474 8.86175 11.8692 6.0516 8.04838 12.3613 3.8877 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 7.67245 5.35705 5.78276 5.74345 9.12395 6.64378 13.5923 8.63072 11.7969 10.9571 numMergedOcc 0
33 mol 278 unq 1 iso 0 dist 7.67245 5.35705 5.78276 5.74345 9.12395 6.64378 10.0918 7.59696 7.56691 6.48173 numMergedOcc 0
34 mol 278 unq 2 iso 0 dist 9.12395 6.64378 5.78276 5.74345 7.67245 5.35705 10.9571 8.63072 11.7969 13.5923 numMergedOcc 0
35 mol 278 unq 3 iso 0 dist 9.12395 6.64378 5.78276 5.74345 7.67245 5.35705 6.48173 7.59696 7.56691 10.0918 numMergedOcc 0
