0 mol 9 unq 0 iso 0 dist 7.38017 3.98483 6.20227 8.57077 10.6533 9.78006 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.39046 6.38533 5.11883 14.0449 4.9399 8.72023 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.07553 5.97304 5.47982 8.86116 5.86882 6.60423 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.07553 5.97304 5.47982 10.5273 4.56797 7.83786 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.80127 4.33963 4.87192 5.54419 7.6222 4.93188 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.80127 4.33963 4.87192 7.36323 11.7026 9.24958 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 6.48457 11.2106 4.87192 13.2433 7.6222 4.93188 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.48457 11.2106 4.87192 15.5296 11.7026 9.24958 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.77199 6.37974 6.00564 11.3023 6.62562 8.00777 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.77199 6.37974 6.00564 7.97049 5.46695 7.1589 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 8.81824 5.08358 6.00564 7.95579 6.62562 8.00777 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 8.81824 5.08358 6.00564 6.19965 5.46695 7.1589 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.20715 7.61939 8.81779 9.87172 4.55137 7.99857 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 8.20715 7.61939 8.81779 12.6489 6.42493 8.56342 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 6.16081 10.326 8.81779 10.1813 4.55137 7.99857 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 6.16081 10.326 8.81779 9.72413 6.42493 8.56342 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.48488 5.45934 6.00293 11.4903 5.05715 6.20182 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 6.62757 4.24624 6.59925 9.29945 13.4456 8.0154 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.16817 13.586 7.9637 14.9701 6.67453 7.28841 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 7.23959 5.28092 7.85966 6.03031 9.73907 8.44861 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 7.23959 5.28092 7.85966 7.26832 12.3578 5.60393 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 7.06087 6.214 7.48626 11.9355 10.2428 6.38157 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 6.48765 5.282 6.45821 11.7007 7.79008 8.0751 numMergedOcc 0
23 mol 251 unq 0 iso 0 dist 9.207 14.7239 6.12282 16.0401 7.703 8.01198 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 6.38733 5.25252 8.62955 7.19638 3.6688 6.86945 numMergedOcc 0
25 mol 276 unq 0 iso 0 dist 8.75833 13.5875 9.2211 17.3942 13.6248 6.70215 numMergedOcc 0
26 mol 276 unq 1 iso 0 dist 8.75833 13.5875 9.2211 19.7861 13.7566 7.25423 numMergedOcc 0
27 mol 276 unq 2 iso 0 dist 8.75833 13.5875 9.2211 20.2348 13.2807 7.88706 numMergedOcc 0
28 mol 276 unq 3 iso 0 dist 8.75833 13.5875 9.2211 10.8211 6.04845 7.23916 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 8.89057 4.82788 5.04032 9.80196 6.40962 5.31728 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 7.97266 8.42446 5.04032 11.3643 6.40962 5.31728 numMergedOcc 0
