0 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 17.675 9.21014 6.58793 13.2455 4.26409 7.95579 10.1919 numMergedOcc 0
1 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 17.675 9.21014 6.58793 11.5591 6.9948 7.66905 7.83419 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 6.82522 5.33325 9.65047 12.3834 8.41707 8.03644 5.69671 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 9.89353 5.69671 9.65047 12.4296 8.41707 7.27724 5.33325 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.23803 6.32175 8.58044 5.93206 4.93112 8.73648 11.1563 7 7.34473 9.47324 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 9.23803 6.32175 8.58044 5.93206 4.93112 8.73648 8.05028 6.94915 9.97763 4.48038 numMergedOcc 0
6 mol 109 unq 2 iso 0 dist 8.05028 6.32175 9.97763 5.93206 4.48038 8.73648 11.1563 8.40993 7.34473 9.47324 numMergedOcc 0
7 mol 109 unq 3 iso 0 dist 8.05028 6.32175 9.97763 5.93206 4.48038 8.73648 9.23803 6.94915 8.58044 4.93112 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.66715 14.0905 7.11802 12.5406 6.26797 5.86531 9.00172 8.18495 8.00618 9.73435 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.00172 14.0905 8.00618 12.5406 9.73435 5.86531 8.66715 8.18495 7.11802 6.26797 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 8.95433 11.0811 7.11802 13.6484 6.26797 5.86531 13.7786 8.18495 8.00618 9.73435 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 11.4524 6.20443 9.92932 9.87619 6.81259 8.94367 10.5108 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 5.79157 13.0109 9.86662 8.49649 6.36794 9.55556 9.87619 6.81259 8.94367 11.9294 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 5.79157 14.1608 9.71307 11.4524 6.20443 9.60411 9.87619 6.81259 6.37586 10.5108 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 10.1878 5.87892 5.96555 13.7769 8.18714 6.03031 4.6995 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 9.25882 9.40714 7.80463 10.1878 5.87892 5.96555 16.4532 13.8543 7.26832 10.7091 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 12.18 8.65216 8.6537 6.88694 5.57838 7.03423 10.7439 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 6.88694 6.52416 7.03423 12.18 10.7439 8.6537 6.32302 5.57838 8.22528 8.65216 numMergedOcc 0
18 mol 229 unq 2 iso 0 dist 8.53615 6.81165 8.22528 4.38586 8.65216 8.6537 11.0334 5.57838 7.03423 10.7439 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.77925 8.93012 6.84306 6.79115 4.38595 9.89665 11.8216 7.28249 7.68742 11.247 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 5.77925 12.1686 9.99038 15.2153 11.2013 5.66569 11.8216 7.28249 6.27581 4.15973 numMergedOcc 0
21 mol 236 unq 2 iso 0 dist 5.77925 12.1686 9.99038 18.1054 15.1664 6.11137 11.8216 7.28249 6.27581 9.01197 numMergedOcc 0
22 mol 236 unq 3 iso 0 dist 5.77925 10.5925 8.35971 6.79115 4.38595 9.05929 10.4879 7.43758 8.04248 4.32403 numMergedOcc 0
23 mol 236 unq 4 iso 0 dist 8.95071 18.4732 9.99038 19.6342 13.8124 8.90987 16.0063 9.90963 8.03456 5.26654 numMergedOcc 0
24 mol 236 unq 5 iso 0 dist 8.95071 18.4732 9.99038 19.6342 13.8124 8.90987 17.4517 11.3368 6.84306 3.82437 numMergedOcc 0
25 mol 236 unq 6 iso 0 dist 8.95071 18.4732 9.99038 19.6342 13.8124 8.90987 18.1272 11.1557 9.78037 11.2846 numMergedOcc 0
26 mol 236 unq 7 iso 0 dist 8.95071 18.4732 9.99038 19.6342 13.8124 8.90987 19.2865 10.7497 8.35971 16.8883 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 9.35597 9.07501 6.37672 8.14526 5.01979 6.18582 4.24014 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 7.79723 4.24754 7.57994 12.3774 9.53929 8.94023 8.14526 5.01979 6.18582 5.36989 numMergedOcc 0
29 mol 249 unq 2 iso 0 dist 8.14526 4.24754 6.18582 9.35597 4.24014 6.37672 7.79723 5.01979 7.57994 9.07501 numMergedOcc 0
30 mol 249 unq 3 iso 0 dist 8.14526 4.24754 6.18582 12.3774 5.36989 8.94023 7.79723 5.01979 7.57994 9.53929 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 14.5631 7.52881 5.73834 11.1938 7.26417 6.60405 6.48867 numMergedOcc 0
