0 mol 20 unq 0 iso 0 dist 8.71628 5.06894 5.9809 9.24986 8.19827 4.7579 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.71628 9.95303 5.83917 9.24986 8.19827 3.21365 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 4.18634 5.84066 8.4126 7.84204 11.3766 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.16769 6.9246 6.016 10.0645 8.61815 3.41186 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.40904 13.5243 9.51318 16.8981 9.51981 5.76547 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 9.40904 16.038 9.84457 16.8981 9.51981 3.62998 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 6.47401 13.573 9.51318 15.3626 9.51981 5.76547 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 6.47401 14.6933 9.84457 15.3626 9.51981 3.62998 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.94447 11.2557 5.29949 4.8668 5.45882 8.39067 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 8.94447 11.2557 5.29949 8.60367 4.57487 7.44033 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 7.09847 11.9266 7.59939 4.23511 9.46392 11.8486 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 6.58245 9.66766 9.27218 4.05539 9.6071 13.3283 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 6.58245 9.66766 9.27218 9.33865 9.77656 17.435 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 4.80429 5.36933 8.65196 4.88386 6.8984 6.12056 numMergedOcc 0
14 mol 213 unq 1 iso 0 dist 6.38872 5.36933 5.461 4.88386 7.77553 6.12056 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 8.20906 5.055 9.58372 4.26898 7.72298 3.64285 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 5.66171 6.27279 8.61306 5.27483 8.5244 5.42052 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 9.16587 13.0023 9.66641 5.5598 7.23916 8.8967 numMergedOcc 0
18 mol 254 unq 1 iso 0 dist 9.16587 13.0023 9.66641 3.71879 6.12653 10.929 numMergedOcc 0
19 mol 254 unq 2 iso 0 dist 9.16587 12.1584 9.26575 5.5598 7.23916 9.42679 numMergedOcc 0
20 mol 254 unq 3 iso 0 dist 9.16587 12.1584 9.26575 3.71879 6.12653 10.706 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 6.29389 12.978 8.5613 3.43932 5.30187 10.6938 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.38395 11.3961 6.66172 3.47588 9.85661 10.6981 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 8.70062 9.8719 8.59762 7.70421 7.77225 9.67163 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 8.70062 9.8719 8.59762 9.73619 5.50067 3.66473 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 8.70062 9.8719 8.59762 7.70421 7.77225 9.67163 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 8.70062 9.8719 8.59762 9.73619 5.50067 3.66473 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.70062 9.8719 8.59762 7.70421 7.77225 9.67163 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 8.70062 9.8719 8.59762 9.73619 5.50067 3.66473 numMergedOcc 0
