0 mol 25 unq 0 iso 0 dist 8.94828 15.6642 7.17969 14.2406 7.57578 4.33106 12.2829 5.59268 8.88413 10.5993 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 6.53977 6.72123 6.86346 10.7324 6.16737 9.22002 7.52103 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 5.50504 6.53977 6.72123 7.62418 6.65721 6.86346 10.7324 6.16737 7.52103 9.22002 numMergedOcc 0
3 mol 61 unq 2 iso 0 dist 5.50504 6.53977 6.72123 7.62418 6.65721 6.86346 6.01552 4.90701 8.46556 11.0419 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 17.675 9.21014 6.58793 10.7244 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 6.86713 9.70895 8.03644 10.3731 9.03572 16.6055 9.89353 5.69671 9.65047 12.5791 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 7.4052 8.83255 13.8105 9.89353 5.69671 9.65047 13.9545 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.00172 14.0905 8.00618 13.2145 6.29155 11.965 12.5406 9.73435 5.86531 15.5083 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.00172 14.0905 8.00618 15.719 6.80239 7.79672 12.5406 9.73435 5.86531 11.5178 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 14.1608 9.71307 5.49782 11.4524 6.20443 9.92932 9.60411 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 5.79157 13.0109 9.86662 14.1608 9.71307 5.49782 8.49649 6.36794 9.55556 12.1043 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 5.79157 14.1608 9.71307 13.0109 9.86662 5.49782 11.4524 6.20443 9.60411 9.92932 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.57514 12.397 7.45763 5.56395 9.61492 11.8283 12.7057 4.2475 6.752 13.2057 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.57514 12.397 7.45763 5.56395 9.61492 11.8283 14.4031 6.8901 5.4913 13.3164 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 6.11505 11.3225 7.45763 9.35174 9.61492 11.8283 9.86224 4.2475 6.752 13.2057 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 6.11505 11.3225 7.45763 9.35174 9.61492 11.8283 12.7533 6.8901 5.4913 13.3164 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 6.88694 6.52416 7.03423 11.1919 9.06952 6.84129 12.18 10.7439 8.6537 13.754 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 6.02527 7.6832 8.40182 6.68357 7.37839 4.06055 12.2694 8.55683 8.01942 9.97221 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 5.77925 8.93012 6.84306 6.59536 8.03456 5.79505 6.79115 4.38595 9.89665 11.3361 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 5.77925 8.93012 6.84306 12.1686 9.99038 11.3368 6.79115 4.38595 9.89665 14.0991 numMergedOcc 0
20 mol 236 unq 2 iso 0 dist 5.77925 8.93012 6.84306 5.48757 9.78037 11.8739 6.79115 4.38595 9.89665 11.8422 numMergedOcc 0
21 mol 236 unq 3 iso 0 dist 5.77925 8.93012 6.84306 10.5925 8.35971 14.7998 6.79115 4.38595 9.89665 9.05929 numMergedOcc 0
22 mol 236 unq 4 iso 0 dist 5.77925 12.1686 9.99038 6.59536 8.03456 9.90963 15.2153 11.2013 5.66569 12.3675 numMergedOcc 0
23 mol 236 unq 5 iso 0 dist 5.77925 12.1686 9.99038 6.59536 8.03456 9.90963 18.1054 15.1664 6.11137 14.8917 numMergedOcc 0
24 mol 236 unq 6 iso 0 dist 5.77925 12.1686 9.99038 8.93012 6.84306 11.3368 15.2153 11.2013 5.66569 11.0771 numMergedOcc 0
25 mol 236 unq 7 iso 0 dist 5.77925 12.1686 9.99038 8.93012 6.84306 11.3368 18.1054 15.1664 6.11137 15.2525 numMergedOcc 0
26 mol 236 unq 8 iso 0 dist 5.77925 12.1686 9.99038 5.48757 9.78037 11.1557 15.2153 11.2013 5.66569 15.7385 numMergedOcc 0
27 mol 236 unq 9 iso 0 dist 5.77925 12.1686 9.99038 5.48757 9.78037 11.1557 18.1054 15.1664 6.11137 17.0539 numMergedOcc 0
28 mol 236 unq 10 iso 0 dist 5.77925 12.1686 9.99038 10.5925 8.35971 10.7497 15.2153 11.2013 5.66569 13.3367 numMergedOcc 0
29 mol 236 unq 11 iso 0 dist 5.77925 12.1686 9.99038 10.5925 8.35971 10.7497 18.1054 15.1664 6.11137 15.4718 numMergedOcc 0
30 mol 236 unq 12 iso 0 dist 5.77925 10.5925 8.35971 6.59536 8.03456 14.2337 6.79115 4.38595 9.05929 11.3361 numMergedOcc 0
31 mol 236 unq 13 iso 0 dist 5.77925 10.5925 8.35971 8.93012 6.84306 14.7998 6.79115 4.38595 9.05929 9.89665 numMergedOcc 0
32 mol 236 unq 14 iso 0 dist 5.77925 10.5925 8.35971 12.1686 9.99038 10.7497 6.79115 4.38595 9.05929 14.0991 numMergedOcc 0
33 mol 236 unq 15 iso 0 dist 5.77925 10.5925 8.35971 5.48757 9.78037 12.0369 6.79115 4.38595 9.05929 11.8422 numMergedOcc 0
34 mol 236 unq 16 iso 0 dist 8.95071 18.4732 9.99038 12.8358 6.27581 7.28249 19.6342 13.8124 8.90987 11.2664 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 8.97461 10.4685 6.22714 11.6506 7.31233 5.34096 19.6371 12.2428 9.66555 11.6545 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 8.97461 10.4685 6.22714 11.6506 7.31233 5.34096 16.7943 8.66185 8.67205 11.1363 numMergedOcc 0
37 mol 261 unq 0 iso 0 dist 9.80409 4.63237 9.14619 6.39263 8.45658 7.00201 8.07113 4.49913 8.65236 9.73983 numMergedOcc 0
38 mol 261 unq 1 iso 0 dist 9.80409 6.39263 8.45658 4.63237 9.14619 7.00201 8.07113 4.49913 9.73983 8.65236 numMergedOcc 0
39 mol 264 unq 0 iso 0 dist 7.37999 11.0659 6.24356 4.72487 9.361 10.3202 10.875 3.93713 8.19504 13.1873 numMergedOcc 0
40 mol 264 unq 1 iso 0 dist 7.36703 5.91731 6.24356 5.28781 9.361 10.3202 11.0689 3.93713 8.19504 13.1873 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 11.3302 8.49997 6.33073 11.0807 5.9882 9.71801 13.4994 numMergedOcc 0
