0 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 13.3732 5.06502 12.7352 5.73819 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 12.9363 6.45462 10.5813 8.93915 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.58793 11.4201 9.67557 9.21014 6.19965 9.9705 10.7244 5.42586 14.3639 7.97049 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 6.58793 11.4201 9.67557 7.83419 7.66905 15.3279 10.7244 5.42586 14.3639 7.47541 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 6.58793 11.4201 9.67557 7.83419 7.66905 15.3279 11.7434 10.1164 19.3849 5.73196 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.65047 16.8321 9.64673 5.69671 8.03644 16.4832 12.5791 16.6055 25.1398 9.03572 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 9.65047 16.8321 9.64673 5.69671 8.03644 16.4832 13.9545 13.8105 22.565 8.83255 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 9.28278 4.74644 8.00624 14.5776 8.54584 15.4586 12.3446 4.61027 11.5175 8.53613 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.50322 15.9933 9.1146 5.37072 7.11802 11.0256 5.82404 8.18495 15.6213 8.00618 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 5.86531 4.98521 9.47554 9.73435 8.00618 9.67676 15.5083 11.965 15.8406 6.29155 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 5.86531 4.98521 9.47554 9.73435 8.00618 9.67676 11.5178 7.79672 13.9771 6.80239 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.92932 5.73962 9.16358 10.5108 8.94367 10.0911 9.60411 5.49782 6.48328 6.37586 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 9.92932 5.73962 9.16358 10.5108 8.94367 10.0911 14.0674 8.80819 11.0053 6.49416 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 9.92932 5.73962 9.16358 6.20443 9.86662 9.66197 9.60411 5.49782 6.48328 9.71307 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 9.60411 5.73962 6.48328 10.5108 6.37586 10.0911 9.92932 5.49782 9.16358 8.94367 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 9.60411 5.73962 6.48328 10.5108 6.37586 10.0911 14.0674 5.00817 11.0053 6.49416 numMergedOcc 0
16 mol 134 unq 5 iso 0 dist 9.60411 5.73962 6.48328 6.20443 9.71307 9.66197 9.92932 5.49782 9.16358 9.86662 numMergedOcc 0
17 mol 134 unq 6 iso 0 dist 9.55556 10.971 9.16358 11.9294 8.94367 10.0911 12.1043 5.49782 6.48328 6.37586 numMergedOcc 0
18 mol 134 unq 7 iso 0 dist 9.55556 10.971 9.16358 11.9294 8.94367 10.0911 16.0579 8.80819 11.0053 6.49416 numMergedOcc 0
19 mol 134 unq 8 iso 0 dist 9.55556 10.971 9.16358 6.36794 9.86662 9.66197 12.1043 5.49782 6.48328 9.71307 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 13.1529 5.42328 13.7313 5.87555 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 12.6103 6.4896 12.3711 8.67331 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 8.07256 4.81561 8.41774 8.36099 7.16148 11.2124 13.1529 5.42328 13.7313 8.87437 numMergedOcc 0
23 mol 152 unq 3 iso 0 dist 8.07256 4.81561 8.41774 8.36099 7.16148 11.2124 12.6103 6.4896 12.3711 8.05741 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 9.36079 15.9979 8.11407 13.6173 7.7366 7.72969 14.4684 5.63422 8.95375 9.774 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 7.42904 13.397 8.11407 9.96254 7.7366 7.72969 12.7047 5.63422 8.95375 9.774 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 8.46129 6.32111 8.80858 5.72088 6.60589 4.93626 8.39002 5.0744 10.8126 6.57273 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 8.46129 6.32111 8.80858 6.51315 9.16166 11.8641 8.39002 5.0744 10.8126 5.78342 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 8.46129 6.32111 8.80858 6.51315 9.16166 11.8641 9.2053 6.91102 13.3427 5.81334 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 9.89665 4.93347 6.61371 4.38595 6.84306 5.03564 11.3361 5.79505 10.4172 8.03456 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 9.89665 4.93347 6.61371 4.38595 6.84306 5.03564 14.0991 11.3368 14.1598 9.99038 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 9.89665 4.93347 6.61371 4.38595 6.84306 5.03564 11.8422 11.8739 13.7045 9.78037 numMergedOcc 0
32 mol 236 unq 3 iso 0 dist 9.89665 4.93347 6.61371 4.38595 6.84306 5.03564 9.05929 14.7998 12.4813 8.35971 numMergedOcc 0
33 mol 236 unq 4 iso 0 dist 9.89665 4.93347 6.61371 11.247 7.68742 9.63949 11.3361 5.79505 10.4172 9.81562 numMergedOcc 0
34 mol 236 unq 5 iso 0 dist 9.89665 4.93347 6.61371 11.247 7.68742 9.63949 14.0991 11.3368 14.1598 6.27581 numMergedOcc 0
35 mol 236 unq 6 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 12.3675 9.90963 11.8908 8.03456 numMergedOcc 0
36 mol 236 unq 7 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 11.0771 11.3368 12.0498 6.84306 numMergedOcc 0
37 mol 236 unq 8 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 15.7385 11.1557 15.4854 9.78037 numMergedOcc 0
38 mol 236 unq 9 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 13.3367 10.7497 16.1665 8.35971 numMergedOcc 0
39 mol 236 unq 10 iso 0 dist 5.66569 4.60599 5.90804 4.15973 6.27581 7.45579 12.3675 9.90963 11.8908 9.81562 numMergedOcc 0
40 mol 236 unq 11 iso 0 dist 5.66569 4.60599 5.90804 4.15973 6.27581 7.45579 11.0771 11.3368 12.0498 7.68742 numMergedOcc 0
41 mol 236 unq 12 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 14.8917 9.90963 11.8908 8.03456 numMergedOcc 0
42 mol 236 unq 13 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 15.2525 11.3368 12.0498 6.84306 numMergedOcc 0
43 mol 236 unq 14 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 17.0539 11.1557 15.4854 9.78037 numMergedOcc 0
44 mol 236 unq 15 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 15.4718 10.7497 16.1665 8.35971 numMergedOcc 0
45 mol 236 unq 16 iso 0 dist 6.11137 4.24722 5.90804 9.01197 6.27581 7.45579 14.8917 9.90963 11.8908 9.81562 numMergedOcc 0
46 mol 236 unq 17 iso 0 dist 6.11137 4.24722 5.90804 9.01197 6.27581 7.45579 15.2525 11.3368 12.0498 7.68742 numMergedOcc 0
47 mol 261 unq 0 iso 0 dist 9.73983 5.96176 7.00833 4.49913 8.45658 6.75336 8.65236 7.00201 10.0402 9.14619 numMergedOcc 0
