0 mol 15 unq 0 iso 0 dist 5.20237 6.88546 6.10381 16.0228 13.1185 9.41935 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.26685 6.80314 14.487 11.4582 19.8205 5.64906 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.83595 8.90581 5.02236 5.33828 9.07692 6.90201 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.04551 6.8073 6.62574 9.54168 7.98634 6.71313 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.36915 6.42242 13.1229 9.26625 15.701 6.54699 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 6.01454 6.42242 6.98858 9.26625 8.07681 6.54699 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 6.31161 6.8073 12.2137 9.54168 15.4748 6.71313 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.12199 5.74593 7.27534 6.11229 11.6824 5.77527 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 7.12199 8.02376 9.23369 6.11229 11.6824 7.313 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 7.90837 5.74593 9.58876 6.11229 10.4746 5.77527 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 7.90837 8.02376 5.64135 6.11229 10.4746 7.313 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.95726 7.81731 4.69874 6.24153 8.73332 5.64525 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 7.25133 6.62527 11.5654 7.75785 12.5405 7.87497 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.85526 7.50264 9.66528 12.6355 15.3484 7.20601 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 5.33543 7.50264 5.45341 12.6355 12.412 7.20601 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 5.69763 6.57575 6.38935 6.28486 8.65631 5.67863 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 7.38622 9.30761 7.75447 14.302 11.9492 5.67863 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 8.82165 9.30761 6.38935 14.302 8.65631 5.67863 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 6.88683 8.85051 5.50843 6.02175 7.63624 9.05585 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 8.34832 6.91534 15.1473 8.44407 14.0909 6.85567 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 7.02503 9.38952 11.9041 5.5176 11.4367 8.64557 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 8.57733 7.42529 11.1898 14.2821 18.647 8.64557 numMergedOcc 0
22 mol 280 unq 2 iso 0 dist 9.05509 7.42529 11.0648 14.2821 16.0404 8.64557 numMergedOcc 0
