0 mol 18 unq 0 iso 0 dist 8.60149 5.816 6.19657 13.5046 10.1168 9.1397 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 8.47497 8.02028 9.96441 12.2454 6.66097 8.41542 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 5.86243 6.19943 5.17241 7.57586 5.39129 7.68478 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 5.86243 6.19943 5.17241 10.3065 5.29179 6.87122 numMergedOcc 0
4 mol 38 unq 2 iso 0 dist 7.55357 5.09927 5.17241 11.7939 5.39129 7.68478 numMergedOcc 0
5 mol 38 unq 3 iso 0 dist 7.55357 5.09927 5.17241 8.86547 5.29179 6.87122 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.25984 5.71377 8.25915 10.9455 11.2139 9.02471 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 9.32972 5.74636 9.7662 13.5752 14.4889 8.06267 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 7.19203 6.31365 6.7739 7.14865 9.51008 8.06267 numMergedOcc 0
9 mol 68 unq 2 iso 0 dist 7.19203 5.08329 8.3318 7.14865 9.51008 5.88334 numMergedOcc 0
10 mol 68 unq 3 iso 0 dist 8.8095 5.74636 6.7739 13.5752 9.51008 8.06267 numMergedOcc 0
11 mol 68 unq 4 iso 0 dist 8.8095 8.30034 8.3318 13.5752 9.51008 5.88334 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 8.63522 6.04036 9.49592 9.0361 10.2218 5.54256 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 5.43401 6.04036 5.88034 9.0361 8.17186 5.54256 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 7.96689 11.8581 6.30568 14.6141 7.00572 5.78814 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.6582 14.8338 6.30568 16.6279 7.00572 5.78814 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 7.53834 11.2878 8.78397 16.3905 13.1754 6.79114 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 6.21267 8.68367 4.77438 10.2087 5.25981 9.1139 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 6.21267 8.36315 5.73344 10.2087 5.25981 9.20677 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 7.41743 7.5521 4.77438 11.5206 5.25981 9.1139 numMergedOcc 0
20 mol 183 unq 3 iso 0 dist 7.41743 3.17225 5.73344 11.5206 5.25981 9.20677 numMergedOcc 0
21 mol 197 unq 0 iso 0 dist 8.51118 11.048 7.06868 16.0074 8.69245 9.23086 numMergedOcc 0
22 mol 197 unq 1 iso 0 dist 8.51118 11.048 7.06868 13.1397 4.6678 8.37086 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 7.76477 10.0206 9.69133 11.026 4.90814 8.25985 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 6.82688 11.775 9.69133 10.8093 4.90814 8.25985 numMergedOcc 0
25 mol 232 unq 2 iso 0 dist 5.92175 6.89215 9.69133 7.47238 4.90814 8.25985 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 5.33462 7.54878 9.91332 15.5527 15.5022 8.94231 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 5.33462 7.54878 9.91332 13.8505 12.4843 8.88652 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 5.33462 7.54878 9.91332 8.89538 7.22173 6.46771 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 8.91916 15.0418 8.75224 14.9752 13.3027 8.25897 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 6.23539 13.6904 9.48076 17.7394 12.7618 5.72327 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 6.23539 13.6904 9.48076 18.919 13.8339 5.81301 numMergedOcc 0
32 mol 277 unq 2 iso 0 dist 6.23539 13.6904 9.48076 21.7945 16.0093 9.81201 numMergedOcc 0
33 mol 280 unq 0 iso 0 dist 7.3304 5.97356 8.87017 8.27417 4.95798 6.01897 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 8.04003 4.57745 9.78064 9.22306 5.64519 9.18744 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 8.04003 4.57745 9.78064 9.22306 5.64519 9.18744 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 8.04003 4.57745 9.78064 9.22306 5.64519 9.18744 numMergedOcc 0
