0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 8.77133 6.06176 6.36911 6.15313 10.3148 5.03847 9.97624 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 7.64353 4.51865 11.8683 6.74265 8.58657 16.1765 13.287 13.0631 8.19695 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.41045 7.64353 4.51865 11.8683 6.74265 8.58657 10.4834 8.40416 7.08342 7.02548 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 11.7128 5.33688 6.71911 3.85789 6.73347 9.64444 9.2902 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 9.74802 5.43139 9.65964 6.22308 6.65811 7.92394 9.90132 14.4968 8.34216 9.48582 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.41049 4.60412 5.93252 6.96647 9.77992 5.64598 5.00474 13.6162 8.44406 7.10439 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 12.6465 7.41074 8.70133 14.7042 9.24757 5.11416 7.10439 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.23812 9.59988 6.19304 12.6465 7.41074 4.65521 14.7042 9.24757 6.56633 7.10439 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 16.7847 10.1589 8.72704 13.0829 9.5074 10.6245 6.0652 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 13.8918 10.2377 7.64585 11.0301 12.125 6.40494 7.52142 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.1146 11.0256 7.11802 7.46812 4.68409 7.92688 9.68947 9.22661 5.92062 6.51868 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.1146 11.0256 7.11802 7.46812 4.68409 7.92688 5.10826 7.56378 6.61891 7.34698 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 16.2084 9.53462 7.98142 14.5963 10.4943 5.63555 5.97685 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 7.7544 10.8374 7.81386 16.714 11.1462 7.37327 14.5963 10.4943 5.63555 8.9289 numMergedOcc 0
14 mol 282 unq 0 iso 0 dist 7.71088 5.86383 8.04483 10.5569 6.3384 6.85028 12.8458 10.6906 7.80785 6.8972 numMergedOcc 0
15 mol 282 unq 1 iso 0 dist 7.71088 7.46064 6.33524 10.5569 6.3384 7.32347 12.8458 10.6906 6.6348 6.8972 numMergedOcc 0
