0 mol 7 unq 0 iso 0 dist 7.45262 9.97624 10.1959 8.81608 8.0744 5.5683 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.96586 9.97624 13.9514 8.81608 11.7002 5.5683 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.5404 6.63839 9.12941 8.53931 11.7199 5.38592 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.42581 6.15893 8.95026 9.06516 9.45442 5.29055 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.42581 6.15893 8.95026 6.79475 4.39827 6.64374 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 8.42581 5.497 5.45023 9.06516 9.45442 4.76998 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 8.42581 5.497 5.45023 6.79475 4.39827 5.39199 numMergedOcc 0
7 mol 41 unq 0 iso 0 dist 5.52067 6.73801 6.32189 7.29079 7.20383 4.23447 numMergedOcc 0
8 mol 41 unq 1 iso 0 dist 5.52067 6.42834 4.85777 7.29079 7.20383 11.5146 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 8.72896 9.52272 5.85261 6.52887 6.9277 4.72639 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 8.72896 9.52272 5.85261 8.35444 12.2387 14.2005 numMergedOcc 0
11 mol 59 unq 2 iso 0 dist 6.62481 9.52272 6.66661 6.52887 6.94466 4.72639 numMergedOcc 0
12 mol 59 unq 3 iso 0 dist 6.62481 9.52272 6.66661 8.35444 9.30293 14.2005 numMergedOcc 0
13 mol 62 unq 0 iso 0 dist 9.87677 6.04903 7.97193 9.1062 6.35287 4.09232 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 9.05798 7.26955 7.34151 6.55202 9.75037 10.3622 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 9.05798 7.26955 7.34151 9.08536 13.2984 14.9264 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 5.85818 7.26955 11.7884 6.55202 6.71103 10.3622 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 5.85818 7.26955 11.7884 9.08536 6.29394 14.9264 numMergedOcc 0
18 mol 128 unq 0 iso 0 dist 9.89462 7.75012 10.9902 6.47811 9.96803 10.5938 numMergedOcc 0
19 mol 128 unq 1 iso 0 dist 9.89462 6.98158 4.68499 6.47811 9.96803 5.91388 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.07135 7.41399 5.71483 8.55349 9.82696 11.4316 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 8.07135 8.21165 9.78763 8.55349 9.82696 12.3375 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 8.07135 8.97945 6.9287 8.55349 9.82696 4.10674 numMergedOcc 0
23 mol 133 unq 3 iso 0 dist 8.07135 9.50664 11.7983 8.55349 9.82696 6.24625 numMergedOcc 0
24 mol 133 unq 4 iso 0 dist 8.07135 6.71555 5.83691 8.55349 9.82696 6.11861 numMergedOcc 0
25 mol 133 unq 5 iso 0 dist 9.4062 6.51868 4.35684 9.10003 11.7892 10.0161 numMergedOcc 0
26 mol 133 unq 6 iso 0 dist 9.4062 7.34698 11.668 9.10003 11.7892 11.7838 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 8.77898 6.21403 13.5292 5.73203 12.9744 4.07076 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 8.77898 6.21403 13.5292 6.57379 15.1517 6.32315 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 8.27673 8.84087 7.33607 5.06715 4.72412 5.23961 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 7.74431 6.32615 7.33607 6.14686 4.72412 5.23961 numMergedOcc 0
31 mol 143 unq 0 iso 0 dist 6.40901 9.30424 5.99865 8.18023 9.05786 13.1214 numMergedOcc 0
32 mol 143 unq 1 iso 0 dist 6.40901 9.30424 5.99865 7.46803 6.16103 4.06908 numMergedOcc 0
33 mol 143 unq 2 iso 0 dist 8.1582 6.46089 11.5146 7.05845 3.75378 12.207 numMergedOcc 0
34 mol 143 unq 3 iso 0 dist 9.40626 9.30424 11.2236 8.18023 3.75378 13.1214 numMergedOcc 0
35 mol 143 unq 4 iso 0 dist 9.40626 9.30424 11.2236 7.46803 8.4697 4.06908 numMergedOcc 0
36 mol 143 unq 5 iso 0 dist 7.88655 6.46089 6.60479 7.05845 9.30534 12.207 numMergedOcc 0
37 mol 173 unq 0 iso 0 dist 7.54706 8.41245 9.77146 8.62366 9.35572 16.0084 numMergedOcc 0
38 mol 173 unq 1 iso 0 dist 7.54706 8.41245 9.77146 9.44973 5.74438 13.8465 numMergedOcc 0
39 mol 173 unq 2 iso 0 dist 7.54706 8.41245 9.77146 6.52508 8.43374 11.2063 numMergedOcc 0
40 mol 173 unq 3 iso 0 dist 7.54706 6.64779 9.43677 8.62366 9.35572 11.3761 numMergedOcc 0
41 mol 173 unq 4 iso 0 dist 7.54706 6.64779 9.43677 9.44973 5.74438 9.90783 numMergedOcc 0
42 mol 173 unq 5 iso 0 dist 7.54706 6.64779 9.43677 6.52508 8.43374 4.60149 numMergedOcc 0
43 mol 195 unq 0 iso 0 dist 9.79691 9.82588 11.4252 9.32333 8.68163 5.66395 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 7.1372 7.57454 4.59123 7.79951 11.2819 12.8337 numMergedOcc 0
45 mol 235 unq 0 iso 0 dist 9.31673 7.31773 5.92143 7.02029 9.78535 5.4263 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 6.39918 8.71497 6.31909 8.84648 4.67584 7.57379 numMergedOcc 0
47 mol 259 unq 1 iso 0 dist 6.39918 8.71497 6.31909 6.23661 7.32929 4.47425 numMergedOcc 0
48 mol 273 unq 0 iso 0 dist 6.94131 8.85779 9.76492 9.35749 6.87067 10.5462 numMergedOcc 0
49 mol 273 unq 1 iso 0 dist 9.84628 8.85779 13.6188 9.35749 5.81024 10.5462 numMergedOcc 0
