0 mol 27 unq 0 iso 0 dist 7.4379 8.05154 5.69211 8.72548 10.7742 9.77484 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.81257 8.90024 12.092 12.664 18.5268 9.83618 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.20998 5.50504 8.2572 5.31827 12.3867 8.76003 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 9.04932 8.85873 12.1771 5.95725 14.5688 8.75946 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 5.99463 8.49531 4.6558 6.33328 6.65315 8.67367 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.74797 9.26438 9.25015 10.7144 13.711 5.87358 numMergedOcc 0
6 mol 124 unq 0 iso 0 dist 9.08158 6.71293 6.27128 11.045 7.87439 6.83051 numMergedOcc 0
7 mol 124 unq 1 iso 0 dist 9.08158 6.71293 6.27128 11.7813 11.9596 9.28376 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 9.17599 7.30919 10.3773 9.87127 12.046 8.94837 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 8.78704 7.30919 5.11977 9.87127 13.0605 8.94837 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 8.41937 7.70631 8.75322 14.5382 15.7028 8.99696 numMergedOcc 0
11 mol 197 unq 1 iso 0 dist 8.41937 7.70631 8.75322 12.215 13.7313 7.85058 numMergedOcc 0
12 mol 197 unq 2 iso 0 dist 8.41937 7.70631 8.75322 16.4731 18.4812 9.96638 numMergedOcc 0
13 mol 248 unq 0 iso 0 dist 8.2748 7.40475 6.21372 10.2858 11.6569 6.07192 numMergedOcc 0
14 mol 256 unq 0 iso 0 dist 6.43566 9.51272 7.29128 9.94758 7.54244 8.09363 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 9.03526 9.91518 11.4295 7.70648 12.1379 6.35287 numMergedOcc 0
16 mol 278 unq 1 iso 0 dist 8.03252 9.91518 17.5675 7.70648 15.3849 6.35287 numMergedOcc 0
