0 mol 43 unq 0 iso 0 dist 8.47617 12.345 8.38387 15.1595 8.80331 11.0096 17.6746 9.86609 14.8727 7.39848 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.04163 4.86753 8.2377 6.34076 5.93252 4.99283 6.16745 3.85805 10.0651 9.10566 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.88953 3.80976 8.2377 3.92763 5.93252 4.99283 11.8357 3.85805 10.0651 9.10566 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 8.64872 10.8989 6.95595 10.4239 7.79912 12.7957 11.4295 4.74027 11.2061 9.16597 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.32453 4.35001 6.4551 8.18176 6.97941 8.78063 8.63792 3.69293 6.46582 7.61521 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.29529 6.68968 8.89481 7.77295 5.86073 4.36935 9.68191 13.0914 9.86767 9.59585 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 8.29529 6.68968 8.89481 7.77295 5.86073 4.36935 15.2931 12.5818 12.94 9.7073 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 8.20009 11.9512 7.04864 5.6257 6.44653 6.81949 5.56598 5.61274 11.0505 7.53694 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 8.20009 11.9512 7.04864 5.6257 6.44653 6.81949 9.65403 3.35803 8.03124 8.38358 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 8.14799 10.1556 7.04864 5.0256 6.44653 6.81949 5.39792 5.61274 11.0505 7.53694 numMergedOcc 0
10 mol 120 unq 3 iso 0 dist 8.14799 10.1556 7.04864 5.0256 6.44653 6.81949 8.44206 3.35803 8.03124 8.38358 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.29975 7.49664 9.3894 4.90674 6.5107 4.84607 6.01995 6.12885 4.82356 5.78814 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.0847 11.6766 8.07256 14.8573 8.56324 10.4039 17.8809 9.73449 14.986 7.55934 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 7.86668 4.04112 8.62103 5.06314 6.18308 3.84723 10.2968 4.29623 9.25184 6.85824 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 9.64889 14.9226 9.29635 15.4648 9.7748 10.8075 14.1815 7.75371 5.11998 5.69112 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 9.64889 14.9226 9.29635 15.4648 9.7748 10.8075 16.4637 11.3546 5.79925 7.2091 numMergedOcc 0
