0 mol 18 unq 0 iso 0 dist 9.12848 7.37356 4.25207 7.426 11.0331 9.51761 7.53082 11.4245 7.3094 9.70492 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 9.12848 7.37356 4.25207 7.53082 11.4245 7.3094 7.426 11.0331 9.51761 9.70492 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.01552 5.50504 4.90701 7.62418 11.0419 6.65721 6.53977 8.46556 6.72123 6.86346 numMergedOcc 0
3 mol 61 unq 0 iso 1 dist 6.01552 5.50504 4.90701 6.53977 8.46556 6.72123 7.62418 11.0419 6.65721 6.86346 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.03407 8.3558 7.17015 15.1474 13.8155 7.4729 8.66262 11.9838 6.82344 8.95922 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 8.03407 8.3558 7.17015 8.66262 11.9838 6.82344 15.1474 13.8155 7.4729 8.95922 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 6.39759 8.3558 4.52119 15.1474 11.8917 7.4729 8.66262 9.79361 6.82344 8.95922 numMergedOcc 0
7 mol 92 unq 1 iso 1 dist 6.39759 8.3558 4.52119 8.66262 9.79361 6.82344 15.1474 11.8917 7.4729 8.95922 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.89353 6.86713 5.69671 10.3731 12.5791 9.03572 7.4052 13.9545 8.83255 6.59319 numMergedOcc 0
9 mol 95 unq 0 iso 1 dist 9.89353 6.86713 5.69671 7.4052 13.9545 8.83255 10.3731 12.5791 9.03572 6.59319 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 9.89353 6.86713 5.69671 10.3731 12.5791 9.03572 9.70895 9.65047 8.03644 16.6055 numMergedOcc 0
11 mol 95 unq 1 iso 1 dist 9.89353 6.86713 5.69671 9.70895 9.65047 8.03644 10.3731 12.5791 9.03572 16.6055 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.89353 6.86713 5.69671 7.4052 13.9545 8.83255 9.70895 9.65047 8.03644 13.8105 numMergedOcc 0
13 mol 95 unq 1 iso 1 dist 9.89353 6.86713 5.69671 9.70895 9.65047 8.03644 7.4052 13.9545 8.83255 13.8105 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.26722 9.00172 12.7637 13.2145 14.4659 6.29155 15.719 19.4136 6.80239 7.81217 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 6.26722 9.00172 12.7637 15.719 19.4136 6.80239 13.2145 14.4659 6.29155 7.81217 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.26722 9.00172 12.7637 13.2145 14.4659 6.29155 14.0905 18.2779 8.00618 11.965 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 6.26722 9.00172 12.7637 14.0905 18.2779 8.00618 13.2145 14.4659 6.29155 11.965 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 6.26722 9.00172 12.7637 15.719 19.4136 6.80239 14.0905 18.2779 8.00618 7.79672 numMergedOcc 0
19 mol 133 unq 1 iso 1 dist 6.26722 9.00172 12.7637 14.0905 18.2779 8.00618 15.719 19.4136 6.80239 7.79672 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.49649 5.79157 6.36794 13.0109 9.55556 9.86662 14.1608 12.1043 9.71307 5.49782 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 8.49649 5.79157 6.36794 14.1608 12.1043 9.71307 13.0109 9.55556 9.86662 5.49782 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 5.91079 6.11505 4.78067 9.35174 13.2374 9.61492 11.3225 9.34594 7.45763 11.8283 numMergedOcc 0
23 mol 205 unq 0 iso 1 dist 5.91079 6.11505 4.78067 11.3225 9.34594 7.45763 9.35174 13.2374 9.61492 11.8283 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 6.79115 5.77925 4.38595 6.59536 11.3361 8.03456 8.93012 9.89665 6.84306 5.79505 numMergedOcc 0
25 mol 236 unq 0 iso 1 dist 6.79115 5.77925 4.38595 8.93012 9.89665 6.84306 6.59536 11.3361 8.03456 5.79505 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 6.79115 5.77925 4.38595 6.59536 11.3361 8.03456 12.1686 14.0991 9.99038 9.90963 numMergedOcc 0
27 mol 236 unq 1 iso 1 dist 6.79115 5.77925 4.38595 12.1686 14.0991 9.99038 6.59536 11.3361 8.03456 9.90963 numMergedOcc 0
28 mol 236 unq 2 iso 0 dist 6.79115 5.77925 4.38595 6.59536 11.3361 8.03456 5.48757 11.8422 9.78037 6.96005 numMergedOcc 0
29 mol 236 unq 2 iso 1 dist 6.79115 5.77925 4.38595 5.48757 11.8422 9.78037 6.59536 11.3361 8.03456 6.96005 numMergedOcc 0
30 mol 236 unq 3 iso 0 dist 6.79115 5.77925 4.38595 6.59536 11.3361 8.03456 10.5925 9.05929 8.35971 14.2337 numMergedOcc 0
31 mol 236 unq 3 iso 1 dist 6.79115 5.77925 4.38595 10.5925 9.05929 8.35971 6.59536 11.3361 8.03456 14.2337 numMergedOcc 0
32 mol 236 unq 1 iso 0 dist 6.79115 5.77925 4.38595 8.93012 9.89665 6.84306 12.1686 14.0991 9.99038 11.3368 numMergedOcc 0
33 mol 236 unq 1 iso 1 dist 6.79115 5.77925 4.38595 12.1686 14.0991 9.99038 8.93012 9.89665 6.84306 11.3368 numMergedOcc 0
34 mol 236 unq 2 iso 0 dist 6.79115 5.77925 4.38595 8.93012 9.89665 6.84306 5.48757 11.8422 9.78037 11.8739 numMergedOcc 0
35 mol 236 unq 2 iso 1 dist 6.79115 5.77925 4.38595 5.48757 11.8422 9.78037 8.93012 9.89665 6.84306 11.8739 numMergedOcc 0
36 mol 236 unq 3 iso 0 dist 6.79115 5.77925 4.38595 8.93012 9.89665 6.84306 10.5925 9.05929 8.35971 14.7998 numMergedOcc 0
37 mol 236 unq 3 iso 1 dist 6.79115 5.77925 4.38595 10.5925 9.05929 8.35971 8.93012 9.89665 6.84306 14.7998 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 6.79115 5.77925 4.38595 12.1686 14.0991 9.99038 5.48757 11.8422 9.78037 11.1557 numMergedOcc 0
39 mol 236 unq 2 iso 1 dist 6.79115 5.77925 4.38595 5.48757 11.8422 9.78037 12.1686 14.0991 9.99038 11.1557 numMergedOcc 0
40 mol 236 unq 3 iso 0 dist 6.79115 5.77925 4.38595 12.1686 14.0991 9.99038 10.5925 9.05929 8.35971 10.7497 numMergedOcc 0
41 mol 236 unq 3 iso 1 dist 6.79115 5.77925 4.38595 10.5925 9.05929 8.35971 12.1686 14.0991 9.99038 10.7497 numMergedOcc 0
42 mol 236 unq 3 iso 0 dist 6.79115 5.77925 4.38595 5.48757 11.8422 9.78037 10.5925 9.05929 8.35971 12.0369 numMergedOcc 0
43 mol 236 unq 3 iso 1 dist 6.79115 5.77925 4.38595 10.5925 9.05929 8.35971 5.48757 11.8422 9.78037 12.0369 numMergedOcc 0
44 mol 248 unq 0 iso 0 dist 8.4908 7.40475 11.014 7.63032 13.9803 7.69895 6.42334 14.4105 7.21521 5.55137 numMergedOcc 0
45 mol 248 unq 0 iso 1 dist 8.4908 7.40475 11.014 6.42334 14.4105 7.21521 7.63032 13.9803 7.69895 5.55137 numMergedOcc 0
46 mol 248 unq 1 iso 0 dist 8.4908 7.40475 11.014 7.63032 13.9803 7.69895 6.86606 13.4339 8.2965 10.8081 numMergedOcc 0
47 mol 248 unq 1 iso 1 dist 8.4908 7.40475 11.014 6.86606 13.4339 8.2965 7.63032 13.9803 7.69895 10.8081 numMergedOcc 0
48 mol 248 unq 1 iso 0 dist 8.4908 7.40475 11.014 6.42334 14.4105 7.21521 6.86606 13.4339 8.2965 5.86196 numMergedOcc 0
49 mol 248 unq 1 iso 1 dist 8.4908 7.40475 11.014 6.86606 13.4339 8.2965 6.42334 14.4105 7.21521 5.86196 numMergedOcc 0
50 mol 261 unq 0 iso 0 dist 8.07113 9.80409 4.49913 4.63237 8.65236 9.14619 6.39263 9.73983 8.45658 7.00201 numMergedOcc 0
51 mol 261 unq 0 iso 1 dist 8.07113 9.80409 4.49913 6.39263 9.73983 8.45658 4.63237 8.65236 9.14619 7.00201 numMergedOcc 0
