0 mol 44 unq 0 iso 0 dist 5.90559 4.668 4.97954 4.9861 8.59022 7.81854 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 5.90559 8.36036 9.20117 4.9861 8.59022 8.99329 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 5.90559 9.61012 8.72535 4.9861 8.59022 8.90976 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 5.0298 4.47522 4.97954 4.86456 8.59022 7.81854 numMergedOcc 0
4 mol 44 unq 4 iso 0 dist 5.0298 6.0879 9.20117 4.86456 8.59022 8.99329 numMergedOcc 0
5 mol 44 unq 5 iso 0 dist 5.0298 5.25369 8.72535 4.86456 8.59022 8.90976 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 9.82468 13.7394 6.47588 14.1088 8.61163 7.21475 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.91602 11.2915 8.54807 7.08612 6.05043 5.33325 numMergedOcc 0
8 mol 136 unq 0 iso 0 dist 9.44126 4.90618 6.27434 10.7369 6.53519 6.38418 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.77564 6.59916 8.40514 5.48717 8.03567 5.97308 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 8.04498 10.0412 6.99474 4.65392 7.92766 10.6493 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 8.04498 10.0412 6.99474 11.0965 6.32652 4.30341 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 8.90975 9.09596 5.67616 8.58242 4.71403 4.70115 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 4.971 4.88792 6.37648 6.00315 6.49599 7.49016 numMergedOcc 0
14 mol 259 unq 1 iso 0 dist 4.971 4.88792 6.37648 6.72493 9.34738 6.30197 numMergedOcc 0
15 mol 259 unq 2 iso 0 dist 4.971 4.88792 6.37648 5.69584 9.47382 9.84081 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 9.63506 6.75463 8.50624 5.55817 5.81421 7.602 numMergedOcc 0
17 mol 265 unq 1 iso 0 dist 7.65976 4.1118 8.50624 5.26386 5.81421 7.602 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 5.39708 14.2326 9.63988 5.58984 7.11272 14.3233 numMergedOcc 0
19 mol 276 unq 1 iso 0 dist 5.39708 14.2326 9.63988 5.82952 6.24808 10.8564 numMergedOcc 0
