0 mol 1 unq 0 iso 0 dist 9.35554 5.99543 9.00903 5.55208 10.1549 9.48433 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.68517 5.65481 4.7319 9.66846 5.28404 6.32791 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 6.67213 6.57102 9.0709 11.7487 11.4974 5.67627 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.50504 6.53977 6.72123 13.3475 9.46304 8.46313 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 5.48831 10.5933 9.78528 10.9584 10.0936 7.09258 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 7.96299 6.75623 5.83409 8.09741 7.39819 8.14057 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 15.1141 7.08612 6.5136 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 15.4092 11.085 6.5136 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 8.84131 8.90571 7.36792 11.793 6.03768 5.79411 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 7.5055 5.61003 6.82262 7.82774 4.28997 9.45717 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 20.7517 12.444 6.91573 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 4.93681 12.8283 9.2313 16.6678 12.444 6.91573 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 12.7803 6.37463 8.58465 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 11.9963 10.705 9.68636 numMergedOcc 0
14 mol 229 unq 1 iso 0 dist 6.88694 6.52416 7.03423 11.9963 5.6419 9.68636 numMergedOcc 0
15 mol 229 unq 2 iso 0 dist 6.88694 11.1919 9.06952 11.9963 5.6419 7.81415 numMergedOcc 0
16 mol 229 unq 3 iso 0 dist 8.53615 6.81165 8.22528 14.2136 10.705 9.68636 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 8.95071 18.4732 9.99038 21.3185 12.431 6.0087 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 13.3277 12.1004 9.14351 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 8.14526 4.24754 6.18582 13.3277 9.40115 9.14351 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.65233 7.78423 9.17653 10.195 4.33194 9.82685 numMergedOcc 0
