0 mol 41 unq 0 iso 0 dist 9.02927 12.9916 4.68793 13.4796 9.50094 7.7727 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.04163 7.90858 4.24428 6.16745 3.85805 7.02693 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.88953 7.82091 4.24428 11.8357 3.85805 7.02693 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.32453 8.29882 4.83274 8.63792 3.69293 5.91098 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 9.32453 9.77859 7.89214 8.63792 3.69293 4.86523 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.13273 9.66122 8.26838 4.81841 4.73066 9.02905 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 7.39851 6.76394 8.11202 12.653 7.02542 9.12935 numMergedOcc 0
7 mol 167 unq 0 iso 0 dist 9.21386 11.596 8.58946 14.1958 6.13061 8.43955 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 6.20646 9.46912 7.7292 11.1558 6.49075 6.46946 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 6.73266 14.4545 7.7292 12.0034 6.49075 6.46946 numMergedOcc 0
10 mol 206 unq 0 iso 0 dist 7.51923 8.96746 7.10166 9.97895 3.56132 9.58346 numMergedOcc 0
11 mol 206 unq 1 iso 0 dist 7.51923 13.4727 9.66896 9.97895 3.56132 9.60549 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 6.51823 5.98533 8.89538 9.31268 5.7648 8.62485 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 6.51823 5.98533 8.89538 11.8771 9.56124 9.37688 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 9.86979 15.6684 8.53729 19.0573 9.46115 6.93942 numMergedOcc 0
15 mol 253 unq 1 iso 0 dist 9.86979 15.6684 8.53729 20.1297 10.3603 9.05161 numMergedOcc 0
16 mol 253 unq 2 iso 0 dist 9.86979 14.3804 8.07341 19.0573 9.46115 9.31626 numMergedOcc 0
17 mol 253 unq 3 iso 0 dist 9.86979 14.3804 8.07341 20.1297 10.3603 9.77366 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 8.88567 11.5286 8.40961 12.6659 4.51188 7.00616 numMergedOcc 0
19 mol 280 unq 1 iso 0 dist 8.88567 11.855 9.42213 12.6659 4.51188 9.19653 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 9.12551 14.695 7.34344 17.1544 12.4957 8.2236 numMergedOcc 0
