0 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 10.3984 8.41707 8.03644 16.1419 15.3713 15.4217 8.26838 numMergedOcc 0
1 mol 134 unq 0 iso 0 dist 6.99089 12.6542 6.49416 11.6481 5.00817 6.37586 12.6734 7.97208 9.52819 5.67862 numMergedOcc 0
2 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 7.04318 6.2715 5.6234 8.21784 12.3723 5.73338 6.73365 numMergedOcc 0
3 mol 175 unq 1 iso 0 dist 8.50904 8.09861 9.0018 11.9173 8.16421 6.57069 8.21784 12.3723 5.73338 9.45659 numMergedOcc 0
4 mol 175 unq 2 iso 0 dist 8.50904 10.1323 7.652 7.04318 6.2715 9.92231 8.21784 12.3723 12.753 6.73365 numMergedOcc 0
5 mol 175 unq 3 iso 0 dist 7.04318 8.09861 5.6234 11.9173 5.35493 6.57069 8.21784 6.73365 5.73338 9.45659 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 9.25528 11.4901 5.98885 11.3822 10.1912 9.09537 7.31868 11.44 9.54619 9.07833 numMergedOcc 0
7 mol 206 unq 0 iso 0 dist 8.59262 13.472 9.774 13.3597 5.63422 7.7366 14.9461 11.7176 6.35321 8.73396 numMergedOcc 0
8 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 12.8567 10.8081 7.69895 14.7619 15.9246 9.48478 6.44967 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 10.6039 7.26417 6.42289 13.1598 13.7159 8.73372 7.9357 numMergedOcc 0
10 mol 258 unq 1 iso 0 dist 7.22378 6.8193 6.60405 10.6039 7.26417 6.42289 16.4071 14.0712 9.78068 8.81059 numMergedOcc 0
11 mol 259 unq 0 iso 0 dist 9.34738 13.8605 7.84554 6.49599 4.86771 7.88519 6.96133 11.7889 12.7595 6.96379 numMergedOcc 0
12 mol 259 unq 1 iso 0 dist 9.47382 13.8605 7.46176 6.49599 6.96053 7.88519 6.96133 11.1532 12.7595 6.96379 numMergedOcc 0
13 mol 261 unq 0 iso 0 dist 7.26647 9.29412 8.43057 10.6622 10.0727 8.02547 11.0146 13.1629 6.5875 7.15785 numMergedOcc 0
14 mol 261 unq 1 iso 0 dist 7.26647 9.29412 8.43057 7.7309 4.63549 6.05727 11.0146 13.1629 6.5875 9.43169 numMergedOcc 0
15 mol 261 unq 2 iso 0 dist 7.7309 9.29412 6.05727 10.6622 5.51688 8.02547 11.0146 9.43169 6.5875 7.15785 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 7.22438 10.3544 8.33638 7.66615 5.40809 8.46116 10.4121 4.78812 5.27123 6.62923 numMergedOcc 0
17 mol 272 unq 1 iso 0 dist 7.66615 10.3544 8.46116 7.22438 5.40809 8.33638 10.4121 6.62923 5.27123 4.78812 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 10.9708 10.0156 8.04483 11.3384 14.7737 8.13794 8.58671 numMergedOcc 0
19 mol 282 unq 1 iso 0 dist 7.70229 8.93697 8.76532 7.90792 4.66602 6.33524 5.64349 6.84554 9.67023 9.51581 numMergedOcc 0
20 mol 282 unq 2 iso 0 dist 7.90792 8.93697 6.33524 10.9708 5.39891 8.04483 11.3384 11.0247 8.13794 8.58671 numMergedOcc 0
21 mol 282 unq 3 iso 0 dist 7.90792 8.93697 6.33524 7.70229 4.66602 8.76532 5.64349 9.51581 9.67023 6.84554 numMergedOcc 0
