0 mol 26 unq 0 iso 0 dist 9.61029 7.54282 7.11305 11.9913 7.34549 13.5781 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 7.54282 7.11305 11.6671 8.09068 11.9639 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.61029 7.54282 7.11305 15.9266 9.72289 14.7493 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.15042 9.4658 9.49478 5.82017 6.6657 11.8698 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 6.27528 6.22498 5.10993 7.65009 9.37524 10.9545 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.02591 8.06358 6.9648 10.6915 9.45835 14.8427 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 8.25651 6.00509 6.13636 4.80369 5.25504 5.65453 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.05043 9.05612 3.94537 11.1228 9.17862 9.77082 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 6.05043 9.05612 3.94537 6.99612 8.27456 8.0675 numMergedOcc 0
9 mol 110 unq 0 iso 0 dist 6.59361 8.27843 8.4494 7.35494 8.1306 14.5737 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 5.09114 7.34585 6.9791 11.2576 8.054 12.7573 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 8.87148 8.18122 4.1335 6.90284 9.99727 6.49766 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 9.26057 6.70684 4.1335 4.43198 9.99727 6.49766 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 8.14071 7.11486 6.16616 9.30769 6.47346 10.9423 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 6.7319 8.1368 11.4245 6.48668 7.39851 14.1338 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 6.01118 8.74572 10.8974 7.09944 5.41229 10.7408 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 6.01118 8.62441 8.44333 7.09944 5.41229 10.6504 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 5.80867 8.37455 6.0599 7.54337 9.98332 12.6688 numMergedOcc 0
18 mol 198 unq 1 iso 0 dist 9.4363 8.80827 15.1173 17.0845 9.98332 18.7172 numMergedOcc 0
19 mol 198 unq 2 iso 0 dist 9.4363 8.17562 6.0599 17.0845 9.98332 12.6688 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 8.92185 7.17095 6.12236 8.0584 9.88432 12.6777 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 7.70229 9.07173 8.58259 5.9433 7.34596 10.9891 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 7.90792 9.07173 5.29852 5.9433 7.12228 10.9891 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 6.8133 6.98961 5.50627 10.1792 8.99442 12.1075 numMergedOcc 0
