0 mol 11 unq 0 iso 0 dist 7.95811 6.50001 6.56765 11.5504 8.40993 14.1622 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.99751 9.90986 5.29055 4.01506 9.30674 11.9218 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.99751 9.90986 5.29055 8.29396 8.25567 12.6141 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.25567 9.22183 6.64374 8.29396 8.99751 13.0329 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.25567 9.22183 6.64374 4.96832 9.30674 11.8673 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.17655 8.57705 3.81317 5.45052 9.78129 11.7519 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.25249 8.3505 17.4008 4.66569 8.41411 11.7694 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 9.25249 7.34638 11.5696 4.66569 8.41411 11.315 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.48774 6.67635 7.60413 12.2543 9.53055 14.2509 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 5.37302 6.12348 3.84573 8.68982 8.03783 9.58604 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 5.37302 6.12348 3.84573 11.0841 8.47541 7.2672 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 8.47541 7.2672 3.84573 11.0841 5.37302 6.12348 numMergedOcc 0
12 mol 113 unq 3 iso 0 dist 8.47541 7.2672 3.84573 7.68339 8.03783 9.58604 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 7.6005 9.87191 3.82942 4.61575 8.7583 9.21528 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 8.7583 9.21528 3.82942 4.61575 7.6005 9.87191 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 8.87314 9.67042 5.53655 11.7069 9.49761 9.07603 numMergedOcc 0
16 mol 128 unq 1 iso 0 dist 8.87314 9.67042 5.53655 8.45681 9.38436 8.77539 numMergedOcc 0
17 mol 128 unq 2 iso 0 dist 8.87314 7.95999 10.4634 11.7069 9.49761 14.7613 numMergedOcc 0
18 mol 128 unq 3 iso 0 dist 8.87314 7.95999 10.4634 8.45681 9.38436 12.7367 numMergedOcc 0
19 mol 128 unq 4 iso 0 dist 9.38436 8.77539 5.53655 8.45681 8.87314 9.67042 numMergedOcc 0
20 mol 128 unq 5 iso 0 dist 9.38436 8.77539 5.53655 3.93975 9.49761 9.07603 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 5.51388 6.27683 3.95773 8.58882 8.17917 9.76361 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 5.51388 6.27683 3.95773 11.0771 8.68909 7.1757 numMergedOcc 0
23 mol 169 unq 2 iso 0 dist 8.68909 7.1757 3.95773 11.0771 5.51388 6.27683 numMergedOcc 0
24 mol 169 unq 3 iso 0 dist 8.68909 7.1757 3.95773 8.19127 8.17917 9.76361 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 7.23557 6.41148 9.86388 5.80929 5.86419 10.867 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 7.23557 6.41148 9.86388 4.20051 8.86587 5.06713 numMergedOcc 0
27 mol 205 unq 2 iso 0 dist 8.86587 5.06713 9.86388 9.66755 5.86419 10.867 numMergedOcc 0
28 mol 205 unq 3 iso 0 dist 8.86587 5.06713 9.86388 4.20051 7.23557 6.41148 numMergedOcc 0
29 mol 205 unq 4 iso 0 dist 8.86587 8.69512 16.7363 9.66755 5.86419 17.881 numMergedOcc 0
30 mol 205 unq 5 iso 0 dist 8.86587 8.69512 16.7363 4.20051 7.23557 12.239 numMergedOcc 0
31 mol 223 unq 0 iso 0 dist 7.81769 9.6936 3.86668 4.00983 7.66694 9.36733 numMergedOcc 0
32 mol 223 unq 1 iso 0 dist 7.66694 9.36733 3.86668 4.00983 7.81769 9.6936 numMergedOcc 0
33 mol 225 unq 0 iso 0 dist 8.37379 9.49163 5.8463 3.88086 9.79381 11.0725 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 8.37813 9.94117 3.86189 8.40987 9.14116 10.6175 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.11072 4.97796 13.3632 5.41461 9.02071 9.39896 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 9.02071 7.15079 9.78219 5.41461 9.11072 8.97249 numMergedOcc 0
