0 mol 93 unq 0 iso 0 dist 5.51624 9.30843 5.99863 12.9364 7.8674 6.25522 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 7.8674 6.25522 5.99863 12.9364 5.51624 9.30843 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 8.03035 7.62197 10.7475 9.46857 16.6372 8.34342 numMergedOcc 0
3 mol 119 unq 1 iso 0 dist 8.03035 7.62197 10.7475 16.3915 19.7237 9.31621 numMergedOcc 0
4 mol 140 unq 0 iso 0 dist 6.98813 8.3735 12.005 5.19894 11.806 9.25342 numMergedOcc 0
5 mol 140 unq 1 iso 0 dist 5.39314 8.3735 4.77448 5.19894 5.3573 9.25342 numMergedOcc 0
6 mol 140 unq 2 iso 0 dist 5.3573 9.25342 4.77448 5.19894 5.39314 8.3735 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 8.93453 8.88454 5.50466 4.65967 11.89 9.48581 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.60521 5.42715 4.78989 7.2676 6.39031 7.34557 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 6.39031 7.34557 4.78989 7.2676 8.60521 5.42715 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 7.23293 8.46395 9.42515 12.1384 13.7851 6.08596 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 5.52678 5.13892 7.82899 7.62717 9.81666 8.2232 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 9.81666 8.2232 7.82899 7.62717 5.52678 5.13892 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 8.93185 8.98941 9.11917 6.52821 8.22792 5.4621 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 8.93185 6.45381 10.6889 6.52821 8.22792 8.91819 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 8.22792 5.4621 9.11917 6.52821 8.93185 8.98941 numMergedOcc 0
16 mol 218 unq 3 iso 0 dist 8.22792 8.91819 10.6889 6.52821 8.93185 6.45381 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 9.60364 7.5999 10.18 4.08041 11.7946 7.1454 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 8.3149 4.64695 4.05076 8.81065 12.4491 9.25019 numMergedOcc 0
19 mol 281 unq 0 iso 0 dist 4.95189 8.2659 9.3694 10.018 14.182 9.26307 numMergedOcc 0
20 mol 281 unq 1 iso 0 dist 4.95189 8.2659 9.3694 7.51137 11.0273 9.17289 numMergedOcc 0
