0 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 8.8641 6.92781 5.05803 4.87721 12.8949 6.88552 9.30471 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 14.4535 10.0952 6.86014 20.0844 15.5112 11.4109 8.0319 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 12.9363 6.45462 8.93915 15.1787 12.0919 9.92508 9.47348 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.05508 5.34079 6.85766 12.5028 10.0246 7.71095 17.856 18.0681 13.0222 9.83775 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 14.0784 10.8507 5.83991 8.86752 9.26923 4.75197 7.9258 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 4.98864 6.59772 6.11741 12.6493 8.02349 9.33865 15.4065 12.4685 10.9791 7.9258 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 4.98864 10.9437 7.88312 12.6493 8.02349 5.83991 15.4065 12.4685 4.75197 7.9258 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 7.95871 4.86477 6.11741 13.7044 8.02349 9.33865 15.6022 12.4685 10.9791 7.9258 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 7.95871 12.0354 7.88312 13.7044 8.02349 5.83991 15.6022 12.4685 4.75197 7.9258 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.82404 5.37072 8.00618 9.50322 8.18495 7.11802 15.9933 15.6213 11.0256 9.1146 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.86531 9.73435 8.00618 15.5083 11.965 6.29155 17.8999 16.5229 9.74121 8.97762 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 9.60411 5.49782 6.37586 5.73962 9.16358 10.0911 6.48328 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 14.0674 8.80819 6.49416 15.9039 15.1513 6.65283 8.86784 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 9.60411 5.49782 9.71307 5.73962 9.16358 9.66197 6.48328 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 9.60411 10.5108 6.37586 9.92932 5.49782 8.94367 5.73962 6.48328 10.0911 9.16358 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 9.60411 10.5108 6.37586 14.0674 5.00817 6.49416 15.9039 11.3169 6.65283 8.86784 numMergedOcc 0
16 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 9.92932 5.49782 9.86662 5.73962 6.48328 9.66197 9.16358 numMergedOcc 0
17 mol 134 unq 6 iso 0 dist 9.55556 11.9294 8.94367 12.1043 5.49782 6.37586 10.971 9.16358 10.0911 6.48328 numMergedOcc 0
18 mol 134 unq 7 iso 0 dist 9.55556 11.9294 8.94367 16.0579 8.80819 6.49416 18.1629 15.1513 6.65283 8.86784 numMergedOcc 0
19 mol 134 unq 8 iso 0 dist 9.55556 6.36794 9.86662 12.1043 5.49782 9.71307 10.971 9.16358 9.66197 6.48328 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.36079 13.6173 7.7366 14.4684 5.63422 9.774 15.9979 8.11407 7.72969 8.95375 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 9.36079 13.6173 7.7366 14.4684 5.63422 9.774 17.4265 11.3921 9.9578 9.29007 numMergedOcc 0
22 mol 206 unq 2 iso 0 dist 7.42904 9.96254 7.7366 12.7047 5.63422 9.774 13.397 8.11407 7.72969 8.95375 numMergedOcc 0
23 mol 206 unq 3 iso 0 dist 7.42904 9.96254 7.7366 12.7047 5.63422 9.774 14.788 11.3921 9.9578 9.29007 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 8.46129 5.0744 6.60589 6.32111 10.8126 4.93626 8.80858 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 8.39002 6.51315 5.78342 8.46129 5.0744 9.16166 6.32111 10.8126 11.8641 8.80858 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 9.2053 6.51315 5.81334 8.46129 6.91102 9.16166 6.32111 13.3427 11.8641 8.80858 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 8.6537 10.7439 7.03423 13.754 6.84129 9.06952 16.1558 11.2048 6.36273 8.68804 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 12.3151 5.88703 6.56247 15.5833 10.8568 4.93623 5.46736 numMergedOcc 0
29 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 12.3151 5.88703 9.36357 15.5833 10.8568 11.7817 5.46736 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 14.0991 11.3368 9.99038 17.9571 12.0498 13.6195 5.90804 numMergedOcc 0
31 mol 236 unq 1 iso 0 dist 9.89665 11.247 7.68742 14.0991 11.3368 6.27581 17.9571 12.0498 7.45579 5.90804 numMergedOcc 0
32 mol 236 unq 2 iso 0 dist 9.05929 4.38595 8.35971 9.89665 14.7998 6.84306 4.93347 12.4813 5.03564 6.61371 numMergedOcc 0
33 mol 236 unq 3 iso 0 dist 9.05929 4.38595 8.35971 14.0991 10.7497 9.99038 17.9571 16.1665 13.6195 5.90804 numMergedOcc 0
34 mol 236 unq 4 iso 0 dist 8.90987 5.26654 8.03456 11.2664 7.28249 9.81562 17.0311 9.13551 15.6279 7.87233 numMergedOcc 0
35 mol 236 unq 5 iso 0 dist 8.90987 3.82437 6.84306 11.2664 7.28249 7.68742 17.0311 9.13551 13.7246 7.87233 numMergedOcc 0
36 mol 236 unq 6 iso 0 dist 8.90987 13.8124 9.99038 11.2664 7.28249 6.27581 17.0311 9.13551 10.5269 7.87233 numMergedOcc 0
37 mol 236 unq 7 iso 0 dist 8.90987 16.8883 8.35971 15.2598 7.43758 8.04248 17.0311 9.13551 7.41812 9.44496 numMergedOcc 0
38 mol 236 unq 8 iso 0 dist 5.66569 11.2013 9.99038 11.0771 11.3368 6.84306 13.7815 14.1598 5.03564 6.61371 numMergedOcc 0
39 mol 236 unq 9 iso 0 dist 5.66569 4.15973 6.27581 11.0771 11.3368 7.68742 13.7815 14.1598 9.63949 6.61371 numMergedOcc 0
40 mol 236 unq 10 iso 0 dist 6.11137 15.1664 9.99038 15.2525 11.3368 6.84306 18.5282 14.1598 5.03564 6.61371 numMergedOcc 0
41 mol 236 unq 11 iso 0 dist 6.11137 9.01197 6.27581 15.2525 11.3368 7.68742 18.5282 14.1598 9.63949 6.61371 numMergedOcc 0
42 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 12.868 8.02948 8.31064 13.3876 14.3398 9.65021 8.82388 numMergedOcc 0
43 mol 261 unq 0 iso 0 dist 8.65236 4.49913 9.14619 9.73983 7.00201 8.45658 5.96176 10.0402 6.75336 7.00833 numMergedOcc 0
44 mol 273 unq 0 iso 0 dist 8.57501 6.9795 6.92774 11.7392 7.03728 9.01049 14.7469 13.6353 9.71586 9.37841 numMergedOcc 0
