0 mol 20 unq 0 iso 0 dist 7.84796 8.93872 6.20872 6.71051 6.4934 10.9384 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.84796 5.49589 4.9399 6.71051 6.4934 7.19596 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 8.28463 9.11084 12.8759 3.71754 9.77484 9.94082 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 7.15141 7.77567 4.13966 6.1939 7.00648 10.3231 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 7.06199 5.94284 5.37955 6.56884 7.41857 10.3594 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.67586 7.89524 6.34565 10.9894 6.71911 12.7589 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.91446 9.74416 3.94305 7.39527 4.76815 6.57181 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.26343 9.74416 12.3721 11.6898 8.72704 15.2747 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.87387 9.0904 9.48108 6.2394 8.71128 9.18917 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 6.06543 9.0904 3.9247 6.2394 7.52743 9.18917 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 9.0339 9.7415 14.303 9.29705 6.03703 17.2603 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 8.48641 9.7415 11.7302 9.29705 7.61505 17.2603 numMergedOcc 0
12 mol 187 unq 0 iso 0 dist 7.68247 8.9118 6.93763 4.8403 9.27478 9.24742 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 7.69537 8.26636 4.32714 11.3668 8.19953 12.4783 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 7.69537 7.02669 8.95149 11.3668 8.19953 16.1425 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 6.18486 9.92621 14.3995 5.31715 8.83563 14.1162 numMergedOcc 0
16 mol 250 unq 0 iso 0 dist 6.18342 9.86436 4.43989 6.49019 8.80086 10.1563 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 7.22438 5.15197 6.38267 6.68919 6.73206 10.1178 numMergedOcc 0
18 mol 272 unq 1 iso 0 dist 7.66615 5.15197 5.99934 6.68919 9.09992 10.1178 numMergedOcc 0
19 mol 272 unq 2 iso 0 dist 7.66615 5.15197 5.99934 8.13036 6.16449 9.33725 numMergedOcc 0
