0 mol 39 unq 0 iso 0 dist 7.42358 7.80357 7.95922 12.7151 8.86053 6.01377 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 7.42358 7.80357 7.95922 12.7217 8.76925 11.0291 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.88013 5.98244 9.0081 10.543 7.77128 7.96488 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 9.27043 5.26438 7.16429 11.1933 8.49115 10.4404 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.19439 12.3739 7.55581 6.64689 5.92836 6.14253 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 9.19439 12.3739 7.55581 10.4419 4.73804 4.88407 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 9.2447 8.88572 8.6371 9.19903 6.55217 4.46614 numMergedOcc 0
7 mol 140 unq 1 iso 0 dist 9.2447 8.88572 8.6371 4.33865 7.21686 4.74205 numMergedOcc 0
8 mol 140 unq 2 iso 0 dist 8.7432 12.6789 8.6371 13.4387 6.55217 4.46614 numMergedOcc 0
9 mol 140 unq 3 iso 0 dist 8.7432 12.6789 8.6371 10.6512 7.21686 4.74205 numMergedOcc 0
10 mol 203 unq 0 iso 0 dist 9.20799 4.60944 8.02341 5.64178 9.47882 7.84676 numMergedOcc 0
11 mol 203 unq 1 iso 0 dist 9.20799 4.60944 8.02341 6.59361 8.60067 4.31543 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.01146 8.8552 9.69695 7.44664 8.59787 11.335 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 9.01146 10.2742 8.18287 7.44664 8.59787 5.31923 numMergedOcc 0
14 mol 255 unq 0 iso 0 dist 9.96798 10.3824 8.17286 8.57575 7.16286 4.52659 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.09288 14.377 7.96325 4.21128 9.53832 14.2761 numMergedOcc 0
16 mol 280 unq 0 iso 0 dist 9.83444 12.0724 7.11605 12.9058 6.38295 7.87626 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 9.27508 5.22264 8.85872 7.67498 7.58907 9.44841 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 9.27508 5.22264 8.85872 7.67498 7.58907 9.44841 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 9.27508 5.22264 8.85872 7.67498 7.58907 9.44841 numMergedOcc 0
