0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 10.9634 12.4076 10.9495 6.82379 14.9611 14.1378 14.2448 8.77457 4.94497 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 12.9396 9.22548 11.4134 6.24978 14.9611 14.1378 14.2448 8.77457 5.61772 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 14.7769 7.96511 10.4705 9.66439 14.9611 14.1378 14.2448 8.77457 10.4848 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 4.54938 8.4674 7.67038 5.18512 6.92532 10.1882 9.78944 10.8007 7.83352 7.48847 6.41575 4.97119 4.64838 6.39966 6.42867 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 8.4674 7.67038 5.18512 6.92532 10.1882 7.82074 5.03957 10.3915 6.36455 6.41575 4.97119 4.64838 6.39966 6.01808 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 5.18512 6.92532 6.36455 9.78944 10.8007 10.6598 7.48847 6.41575 4.97119 6.01808 6.39966 6.42867 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 7.82074 8.4674 10.3915 5.18512 6.36455 10.1882 9.78944 10.6598 7.83352 7.48847 6.41575 6.01808 4.64838 6.39966 6.42867 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 7.82074 8.4674 10.3915 5.18512 6.36455 10.1882 4.54938 5.03957 7.67038 6.92532 6.41575 6.01808 4.64838 6.39966 4.97119 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 7.82074 4.54938 5.03957 5.18512 6.36455 6.92532 9.78944 10.6598 10.8007 7.48847 6.41575 6.01808 4.97119 6.39966 6.42867 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 6.864 4.51865 7.67038 9.47529 6.92532 10.1882 9.56313 10.8007 7.83352 7.48847 6.41423 4.97119 4.64838 6.39966 6.42867 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 6.864 4.51865 7.67038 9.47529 6.92532 10.1882 11.0366 5.03957 10.3915 6.36455 6.41423 4.97119 4.64838 6.39966 6.01808 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 5.97304 6.60423 9.0934 10.5273 7.05502 5.79707 7.83786 12.9284 4.32034 10.1325 9.69752 9.6469 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 5.97304 6.60423 9.0934 10.5273 7.05502 5.79707 7.83786 8.60554 8.52463 12.3994 9.36461 14.6654 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 8.90863 6.65595 6.54743 13.0114 8.82176 10.0962 16.4714 12.2509 10.1562 9.96399 12.1928 5.32257 9.49968 4.65127 11.2415 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 8.90863 6.65595 6.54743 13.0114 8.82176 10.0962 11.1899 5.00018 5.67502 7.55695 12.1928 5.32257 9.49968 4.65127 5.94827 numMergedOcc 0
15 mol 60 unq 2 iso 0 dist 8.33063 6.43294 10.1562 9.62257 9.96399 10.0962 8.7531 7.29309 5.67502 7.55695 11.816 11.2415 9.49968 4.65127 5.94827 numMergedOcc 0
16 mol 60 unq 3 iso 0 dist 8.33063 6.43294 10.1562 9.62257 9.96399 10.0962 11.5843 12.2509 6.54743 8.82176 11.816 11.2415 9.49968 4.65127 5.32257 numMergedOcc 0
17 mol 60 unq 4 iso 0 dist 8.33063 8.7531 7.29309 9.62257 9.96399 7.55695 11.5843 12.2509 5.00018 8.82176 11.816 11.2415 5.94827 4.65127 5.32257 numMergedOcc 0
18 mol 60 unq 5 iso 0 dist 8.7531 8.33063 7.29309 9.62257 7.55695 9.96399 11.5843 5.00018 12.2509 8.82176 11.816 5.94827 11.2415 4.65127 5.32257 numMergedOcc 0
19 mol 60 unq 6 iso 0 dist 8.7531 6.43294 5.67502 9.62257 7.55695 10.0962 8.33063 7.29309 10.1562 9.96399 11.816 5.94827 9.49968 4.65127 11.2415 numMergedOcc 0
20 mol 60 unq 7 iso 0 dist 8.7531 6.43294 5.67502 9.62257 7.55695 10.0962 11.5843 5.00018 6.54743 8.82176 11.816 5.94827 9.49968 4.65127 5.32257 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 8.26458 7.04044 10.3244 6.19304 5.4148 13.3558 8.73253 9.24757 5.11416 15.3808 6.48232 6.56633 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 8.26458 8.73253 10.3244 9.96396 5.4148 14.9342 7.04044 9.24757 6.56633 15.3808 6.48232 5.11416 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 6.37974 7.1589 11.2808 11.3023 4.26409 10.7229 8.00777 9.82915 9.29301 13.5116 8.70863 11.165 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 5.08358 8.00777 11.2808 6.19965 4.26409 6.9948 7.1589 12.0078 11.165 13.5116 8.70863 9.29301 numMergedOcc 0
25 mol 85 unq 2 iso 0 dist 6.19965 7.66905 6.9948 5.08358 7.1589 11.2808 7.95579 4.26409 10.7229 8.00777 12.0078 9.29301 13.5116 8.70863 11.165 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 8.40312 6.85062 10.7062 5.89022 8.86329 11.6142 7.12972 5.55373 6.63273 8.71039 11.8327 10.3369 13.1439 8.92828 7.92788 numMergedOcc 0
27 mol 131 unq 1 iso 0 dist 8.40312 6.85062 10.7062 5.89022 8.86329 11.6142 7.12972 5.55373 6.63273 8.71039 9.90168 7.7567 13.7237 5.56627 8.23791 numMergedOcc 0
28 mol 131 unq 2 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 14.2958 7.58238 9.85697 9.15431 11.8327 7.92788 10.3369 5.44303 6.51918 numMergedOcc 0
29 mol 131 unq 3 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 14.2958 7.58238 9.85697 9.15431 9.90168 8.23791 7.7567 8.50562 9.60968 numMergedOcc 0
30 mol 131 unq 4 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 6.85062 6.63273 10.7062 9.29384 11.8327 7.92788 10.3369 5.44303 13.1439 numMergedOcc 0
31 mol 131 unq 5 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 6.85062 6.63273 10.7062 9.29384 9.90168 8.23791 7.7567 8.50562 13.7237 numMergedOcc 0
32 mol 131 unq 6 iso 0 dist 7.12972 6.85062 6.63273 5.89022 8.71039 11.6142 8.40312 5.55373 10.7062 8.86329 11.8327 7.92788 13.1439 8.92828 10.3369 numMergedOcc 0
33 mol 131 unq 7 iso 0 dist 7.12972 6.85062 6.63273 5.89022 8.71039 11.6142 8.40312 5.55373 10.7062 8.86329 9.90168 8.23791 13.7237 5.56627 7.7567 numMergedOcc 0
34 mol 131 unq 8 iso 0 dist 7.12972 6.85062 6.63273 9.32969 6.92648 9.29384 14.2958 7.58238 13.2572 9.15431 11.8327 7.92788 13.1439 5.44303 6.51918 numMergedOcc 0
35 mol 131 unq 9 iso 0 dist 7.12972 6.85062 6.63273 9.32969 6.92648 9.29384 14.2958 7.58238 13.2572 9.15431 9.90168 8.23791 13.7237 8.50562 9.60968 numMergedOcc 0
36 mol 131 unq 10 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 14.2958 13.2572 9.85697 9.15431 11.8327 13.1439 10.3369 5.44303 6.51918 numMergedOcc 0
37 mol 131 unq 11 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 14.2958 13.2572 9.85697 9.15431 9.90168 13.7237 7.7567 8.50562 9.60968 numMergedOcc 0
38 mol 131 unq 12 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 7.12972 6.63273 5.55373 6.92648 11.8327 13.1439 10.3369 5.44303 7.92788 numMergedOcc 0
39 mol 131 unq 13 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 7.12972 6.63273 5.55373 6.92648 9.90168 13.7237 7.7567 8.50562 8.23791 numMergedOcc 0
40 mol 131 unq 14 iso 0 dist 6.85062 7.12972 6.63273 9.32969 9.29384 6.92648 14.2958 13.2572 7.58238 9.15431 11.8327 13.1439 7.92788 5.44303 6.51918 numMergedOcc 0
41 mol 131 unq 15 iso 0 dist 6.85062 7.12972 6.63273 9.32969 9.29384 6.92648 14.2958 13.2572 7.58238 9.15431 9.90168 13.7237 8.23791 8.50562 9.60968 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 9.4027 8.20836 10.873 11.7385 5.62899 10.7144 7.36779 6.23142 4.57832 5.29786 9.30061 7.1797 numMergedOcc 0
43 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 9.4027 8.20836 13.846 11.7385 5.62899 12.8168 7.36779 6.23142 4.57832 5.71679 9.30061 7.1797 numMergedOcc 0
44 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 5.12325 8.20836 10.873 11.3835 5.62899 10.7144 7.36779 9.94764 4.57832 5.29786 9.30061 7.1797 numMergedOcc 0
45 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 13.8722 6.51749 15.2991 15.0228 10.1912 12.8522 7.20392 14.2254 5.6044 18.696 7.11785 12.9468 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.09754 8.87694 9.50685 9.97575 8.64409 15.9107 15.6447 8.04815 16.4637 9.56197 16.2017 11.6919 20.8288 7.46987 9.74148 numMergedOcc 0
47 mol 186 unq 1 iso 0 dist 9.09754 8.87694 9.50685 9.97575 8.64409 15.9107 16.9992 13.684 21.886 7.24795 16.2017 11.6919 20.8288 7.46987 7.30024 numMergedOcc 0
48 mol 186 unq 2 iso 0 dist 9.09754 8.87694 9.50685 9.97575 8.64409 15.9107 14.1487 7.18269 16.6762 7.60202 16.2017 11.6919 20.8288 7.46987 5.3967 numMergedOcc 0
49 mol 205 unq 0 iso 0 dist 6.03031 7.80463 8.18714 5.28092 8.44861 11.3521 7.26832 7.38516 13.8543 5.60393 9.53629 13.0658 9.05555 9.17946 14.4523 numMergedOcc 0
50 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 5.28092 5.60393 11.3521 6.03031 7.38516 8.18714 8.44861 9.53629 14.4523 9.05555 9.17946 13.0658 numMergedOcc 0
51 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 12.6531 10.5806 17.2569 9.2581 9.07471 7.75466 13.3447 9.08955 5.89689 numMergedOcc 0
52 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 12.6531 10.5806 17.2569 9.2581 9.8062 12.1951 16.6175 8.88664 8.92719 numMergedOcc 0
53 mol 222 unq 2 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 12.6531 10.5806 17.2569 9.2581 10.6381 11.6161 17.2221 7.16819 5.82526 numMergedOcc 0
54 mol 222 unq 3 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 11.8674 6.9154 12.6553 9.62632 9.07471 7.75466 13.3447 9.08955 10.6944 numMergedOcc 0
55 mol 222 unq 4 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 11.8674 6.9154 12.6553 9.62632 9.8062 12.1951 16.6175 8.88664 15.4372 numMergedOcc 0
56 mol 222 unq 5 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 11.8674 6.9154 12.6553 9.62632 10.6381 11.6161 17.2221 7.16819 12.9388 numMergedOcc 0
57 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 4.86504 9.64269 8.46061 10.1698 6.6954 7.34222 6.88809 12.0724 10.2227 6.32008 9.18635 5.02308 numMergedOcc 0
58 mol 272 unq 1 iso 0 dist 8.46116 9.97651 8.12676 4.86504 8.46061 9.64269 10.1698 7.34222 6.6954 6.88809 12.0724 6.32008 10.2227 9.18635 5.02308 numMergedOcc 0
