0 mol 25 unq 0 iso 0 dist 8.94828 15.6642 7.17969 12.2829 5.59268 8.88413 18.3468 12.4135 10.8648 9.87281 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.94828 15.6642 7.17969 12.2829 5.59268 8.88413 18.6304 11.6743 10.2779 7.63928 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 10.7324 6.16737 9.22002 6.53977 6.72123 6.86346 7.52103 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 5.50504 6.53977 6.72123 10.7324 6.16737 7.52103 7.62418 6.65721 6.86346 9.22002 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 6.82522 5.33325 9.65047 7.94986 12.5309 15.3836 8.69069 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 9.89353 5.69671 9.65047 10.538 11.659 15.3836 8.69069 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 11.4524 6.20443 9.92932 14.1608 9.71307 5.49782 9.60411 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 5.79157 13.0109 9.86662 8.49649 6.36794 9.55556 11.9678 11.3835 5.62899 9.60369 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 5.79157 14.1608 9.71307 11.4524 6.20443 9.60411 13.0109 9.86662 5.49782 9.92932 numMergedOcc 0
9 mol 196 unq 0 iso 0 dist 9.79271 4.07683 9.62191 6.28071 4.59462 6.87731 8.03208 10.1741 7.5617 6.25429 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.57514 12.397 7.45763 14.4031 6.8901 5.4913 18.2006 13.4269 9.33648 8.10287 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 6.11505 11.3225 7.45763 12.7533 6.8901 5.4913 18.5203 13.4269 9.33648 8.10287 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 12.18 8.65216 8.6537 9.71486 11.3979 5.1556 8.75374 numMergedOcc 0
13 mol 229 unq 1 iso 0 dist 6.32302 6.52416 8.22528 12.18 8.65216 8.6537 14.6896 13.7165 10.6558 7.10634 numMergedOcc 0
14 mol 229 unq 2 iso 0 dist 6.32302 6.52416 8.22528 12.18 8.65216 8.6537 12.9522 11.7165 7.0298 5.57702 numMergedOcc 0
15 mol 229 unq 3 iso 0 dist 6.88694 6.52416 7.03423 12.18 10.7439 8.6537 9.71486 11.9282 5.1556 8.75374 numMergedOcc 0
16 mol 229 unq 4 iso 0 dist 6.88694 6.52416 7.03423 12.18 10.7439 8.6537 14.6896 15.8786 10.6558 7.10634 numMergedOcc 0
17 mol 229 unq 5 iso 0 dist 6.88694 6.52416 7.03423 12.18 10.7439 8.6537 12.9522 11.4362 7.0298 5.57702 numMergedOcc 0
18 mol 229 unq 6 iso 0 dist 8.53615 6.81165 8.22528 4.38586 8.65216 8.6537 5.33253 11.3979 5.1556 8.75374 numMergedOcc 0
19 mol 229 unq 7 iso 0 dist 8.53615 6.81165 8.22528 4.38586 8.65216 8.6537 5.23042 13.7165 10.6558 7.10634 numMergedOcc 0
20 mol 229 unq 8 iso 0 dist 8.53615 6.81165 8.22528 4.38586 8.65216 8.6537 6.21905 11.7165 7.0298 5.57702 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 12.0485 9.60401 9.29752 14.5105 10.5803 6.56633 7.70279 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 5.77925 8.93012 6.84306 6.79115 4.38595 9.89665 10.5925 8.35971 14.7998 9.05929 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 5.77925 12.1686 9.99038 18.1054 15.1664 6.11137 16.2115 13.864 6.59448 7.89744 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 5.77925 10.5925 8.35971 6.79115 4.38595 9.05929 8.93012 6.84306 14.7998 9.89665 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 9.80409 4.63237 9.14619 8.07113 4.49913 8.65236 6.39263 8.45658 7.00201 9.73983 numMergedOcc 0
26 mol 261 unq 1 iso 0 dist 9.80409 6.39263 8.45658 8.07113 4.49913 9.73983 4.63237 9.14619 7.00201 8.65236 numMergedOcc 0
