0 mol 26 unq 0 iso 0 dist 8.11402 6.29981 5.84066 9.6214 7.84204 11.3766 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 7.60482 3.82305 9.35784 5.84579 5.42296 7.63211 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.96665 10.8066 9.92638 11.5007 9.40835 8.56187 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 5.86276 6.12049 5.47706 10.4124 7.03887 6.99884 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 5.86276 6.12049 5.47706 7.98347 5.36451 3.75261 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 5.86276 6.12049 5.47706 14.0883 9.28354 10.6388 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 5.86276 4.94803 8.89842 10.4124 7.03887 14.1409 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 5.86276 4.94803 8.89842 7.98347 5.36451 11.1725 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 5.86276 4.94803 8.89842 14.0883 9.28354 17.572 numMergedOcc 0
9 mol 78 unq 6 iso 0 dist 5.86276 12.8531 8.07568 10.4124 7.03887 4.75637 numMergedOcc 0
10 mol 78 unq 7 iso 0 dist 5.86276 12.8531 8.07568 7.98347 5.36451 5.62063 numMergedOcc 0
11 mol 78 unq 8 iso 0 dist 5.86276 12.8531 8.07568 14.0883 9.28354 3.81575 numMergedOcc 0
12 mol 78 unq 9 iso 0 dist 8.16546 8.07529 5.47706 13.7086 7.03887 6.99884 numMergedOcc 0
13 mol 78 unq 10 iso 0 dist 8.16546 8.07529 5.47706 10.9209 5.36451 3.75261 numMergedOcc 0
14 mol 78 unq 11 iso 0 dist 8.16546 8.07529 5.47706 15.7494 9.28354 10.6388 numMergedOcc 0
15 mol 78 unq 12 iso 0 dist 8.16546 6.52163 8.89842 13.7086 7.03887 14.1409 numMergedOcc 0
16 mol 78 unq 13 iso 0 dist 8.16546 6.52163 8.89842 10.9209 5.36451 11.1725 numMergedOcc 0
17 mol 78 unq 14 iso 0 dist 8.16546 6.52163 8.89842 15.7494 9.28354 17.572 numMergedOcc 0
18 mol 78 unq 15 iso 0 dist 8.16546 12.9164 8.07568 13.7086 7.03887 4.75637 numMergedOcc 0
19 mol 78 unq 16 iso 0 dist 8.16546 12.9164 8.07568 10.9209 5.36451 5.62063 numMergedOcc 0
20 mol 78 unq 17 iso 0 dist 8.16546 12.9164 8.07568 15.7494 9.28354 3.81575 numMergedOcc 0
21 mol 95 unq 0 iso 0 dist 6.65315 6.43646 9.51318 8.02524 9.51981 5.76547 numMergedOcc 0
22 mol 95 unq 1 iso 0 dist 6.65315 5.80449 9.84457 8.02524 9.51981 3.62998 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 4.86894 7.21648 8.18023 10.7652 8.08798 14.4074 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 4.86894 9.42107 7.46803 10.7652 8.08798 5.94217 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 9.69154 10.0898 9.27218 10.5705 9.6071 13.3283 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 9.69154 10.0898 9.27218 16.6946 9.77656 17.435 numMergedOcc 0
27 mol 197 unq 2 iso 0 dist 9.49122 13.0947 9.27218 7.21941 9.77656 17.435 numMergedOcc 0
28 mol 197 unq 3 iso 0 dist 9.49122 13.0947 9.27218 6.62989 9.6071 13.3283 numMergedOcc 0
29 mol 204 unq 0 iso 0 dist 5.29147 6.59905 8.66162 6.46602 7.76863 4.7839 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 6.74861 12.8946 8.70987 5.96128 9.86587 17.4152 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 6.57783 5.97248 8.5613 8.1257 5.30187 10.6938 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 6.1535 9.12506 9.19905 5.88095 9.48951 5.32084 numMergedOcc 0
33 mol 283 unq 0 iso 0 dist 6.87568 7.95433 9.60574 5.91899 9.06774 13.7144 numMergedOcc 0
34 mol 283 unq 1 iso 0 dist 6.87568 7.95433 9.60574 8.2722 7.83424 3.12129 numMergedOcc 0
35 mol 283 unq 2 iso 0 dist 6.50648 7.04425 9.60574 8.32685 9.06774 13.7144 numMergedOcc 0
36 mol 283 unq 3 iso 0 dist 6.50648 7.04425 9.60574 5.93642 7.83424 3.12129 numMergedOcc 0
