0 mol 28 unq 0 iso 0 dist 8.40467 4.30283 9.20625 9.83168 13.4544 7.56095 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.24073 4.80296 8.33169 11.6549 7.99283 8.9136 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 8.53135 7.27473 7.28761 12.5461 8.02814 5.92844 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.67459 11.1757 7.32236 18.4758 11.2484 9.97844 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.62469 10.1488 8.90701 13.3446 10.6411 9.14324 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 8.8894 6.52836 6.14769 11.0753 9.18392 5.94417 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 8.8894 5.72591 8.02616 11.0753 9.18392 7.48283 numMergedOcc 0
7 mol 142 unq 0 iso 0 dist 7.21779 4.89854 8.20354 9.5355 7.46089 6.00045 numMergedOcc 0
8 mol 210 unq 0 iso 0 dist 8.50367 7.54885 6.93215 12.9027 7.48216 8.78286 numMergedOcc 0
9 mol 210 unq 1 iso 0 dist 8.94889 10.4785 6.93215 16.0853 7.48216 8.78286 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 7.10828 13.6835 9.90442 8.01565 5.94643 6.71734 numMergedOcc 0
11 mol 242 unq 0 iso 0 dist 9.035 4.80103 5.97464 12.2089 4.99882 8.90437 numMergedOcc 0
12 mol 242 unq 1 iso 0 dist 9.035 7.90197 9.01402 12.2089 4.99882 8.43332 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 8.13605 8.72592 7.8339 12.6418 5.67613 7.71093 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 8.96253 5.02504 9.05171 9.64886 14.3335 9.17214 numMergedOcc 0
15 mol 261 unq 1 iso 0 dist 8.96253 5.02504 9.05171 12.8561 7.41103 9.6169 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 6.93798 8.33215 4.1631 14.051 8.51629 5.7378 numMergedOcc 0
17 mol 283 unq 1 iso 0 dist 6.93798 8.33215 4.1631 6.15136 4.67572 7.15632 numMergedOcc 0
