0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 7.43529 7.3915 10.6335 14.9611 14.1378 14.2448 8.77457 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.54938 8.4674 7.67038 5.18512 6.92532 10.1882 6.41575 4.97119 4.64838 6.39966 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 7.82074 5.03957 5.18512 6.92532 6.36455 6.41575 4.97119 6.01808 6.39966 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 7.82074 8.4674 10.3915 5.18512 6.36455 10.1882 6.41575 6.01808 4.64838 6.39966 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 7.82074 4.54938 5.03957 5.18512 6.36455 6.92532 6.41575 6.01808 4.97119 6.39966 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 6.864 4.51865 7.67038 9.47529 6.92532 10.1882 6.41423 4.97119 4.64838 6.39966 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 5.97304 6.60423 9.0934 12.9284 4.32034 10.1325 9.69752 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 5.97304 6.60423 9.0934 8.60554 8.52463 12.3994 9.36461 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 4.33963 4.93188 9.24958 8.4051 5.11617 13.2229 4.90592 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 5.54419 7.36323 12.3067 4.33963 4.93188 9.24958 8.75662 10.8238 6.7828 8.16324 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 7.36323 5.54419 12.3067 4.33963 9.24958 4.93188 8.4051 13.2229 5.11617 4.90592 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 7.36323 5.54419 12.3067 4.33963 9.24958 4.93188 8.75662 6.7828 10.8238 8.16324 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.64012 9.4099 6.47414 6.37648 7.27383 12.5444 9.86039 5.85698 12.2123 6.62229 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 8.90863 6.65595 6.54743 13.0114 8.82176 10.0962 12.1928 5.32257 9.49968 4.65127 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 8.33063 6.43294 10.1562 9.62257 9.96399 10.0962 11.816 11.2415 9.49968 4.65127 numMergedOcc 0
15 mol 60 unq 2 iso 0 dist 8.33063 8.7531 7.29309 9.62257 9.96399 7.55695 11.816 11.2415 5.94827 4.65127 numMergedOcc 0
16 mol 60 unq 3 iso 0 dist 8.7531 8.33063 7.29309 9.62257 7.55695 9.96399 11.816 5.94827 11.2415 4.65127 numMergedOcc 0
17 mol 60 unq 4 iso 0 dist 8.7531 6.43294 5.67502 9.62257 7.55695 10.0962 11.816 5.94827 9.49968 4.65127 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.26458 7.04044 8.73253 9.24757 5.11416 6.56633 6.48232 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 8.26458 7.04044 10.3244 9.24757 5.11416 15.3808 6.48232 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 8.26458 8.73253 7.04044 9.24757 6.56633 5.11416 6.48232 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 8.26458 8.73253 10.3244 9.24757 6.56633 15.3808 6.48232 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 6.37974 7.1589 11.2808 9.82915 9.29301 13.5116 8.70863 numMergedOcc 0
23 mol 85 unq 1 iso 0 dist 7.95579 6.19965 4.26409 5.08358 8.00777 7.1589 12.0078 11.165 9.29301 8.70863 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 7.95579 7.66905 10.7229 5.08358 8.00777 11.2808 12.0078 11.165 13.5116 8.70863 numMergedOcc 0
25 mol 85 unq 3 iso 0 dist 6.19965 7.95579 4.26409 5.08358 7.1589 8.00777 12.0078 9.29301 11.165 8.70863 numMergedOcc 0
26 mol 85 unq 4 iso 0 dist 6.19965 7.66905 6.9948 5.08358 7.1589 11.2808 12.0078 9.29301 13.5116 8.70863 numMergedOcc 0
27 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 12.6602 7.12017 12.6061 16.5404 9.75737 14.3758 9.5669 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 7.47343 6.56369 12.6515 12.6602 7.12017 18.4011 16.5404 9.75737 20.0968 9.5669 numMergedOcc 0
29 mol 100 unq 2 iso 0 dist 7.47343 9.30209 13.887 12.6602 7.12017 17.8494 16.5404 9.75737 19.3554 9.5669 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 6.11741 9.33865 8.02349 6.08806 5.74857 10.9766 11.0224 5.22052 11.8511 8.85881 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 7.21418 5.74857 10.0289 12.13 5.22052 13.2157 8.85881 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 7.88312 5.83991 8.02349 7.21418 5.74857 10.9766 12.13 5.22052 11.8511 8.85881 numMergedOcc 0
33 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 6.67948 8.03372 15.3413 6.28565 4.55551 6.30169 9.94578 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 8.40312 7.12972 5.55373 5.89022 8.86329 8.71039 11.8327 10.3369 7.92788 8.92828 numMergedOcc 0
35 mol 131 unq 1 iso 0 dist 8.40312 7.12972 5.55373 5.89022 8.86329 8.71039 9.90168 7.7567 8.23791 5.56627 numMergedOcc 0
36 mol 131 unq 2 iso 0 dist 8.40312 6.85062 10.7062 5.89022 8.86329 11.6142 11.8327 10.3369 13.1439 8.92828 numMergedOcc 0
37 mol 131 unq 3 iso 0 dist 8.40312 6.85062 10.7062 5.89022 8.86329 11.6142 9.90168 7.7567 13.7237 5.56627 numMergedOcc 0
38 mol 131 unq 4 iso 0 dist 7.12972 8.40312 5.55373 5.89022 8.71039 8.86329 11.8327 7.92788 10.3369 8.92828 numMergedOcc 0
39 mol 131 unq 5 iso 0 dist 7.12972 8.40312 5.55373 5.89022 8.71039 8.86329 9.90168 8.23791 7.7567 5.56627 numMergedOcc 0
40 mol 131 unq 6 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 11.8327 7.92788 10.3369 5.44303 numMergedOcc 0
41 mol 131 unq 7 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 9.90168 8.23791 7.7567 8.50562 numMergedOcc 0
42 mol 131 unq 8 iso 0 dist 7.12972 6.85062 6.63273 5.89022 8.71039 11.6142 11.8327 7.92788 13.1439 8.92828 numMergedOcc 0
43 mol 131 unq 9 iso 0 dist 7.12972 6.85062 6.63273 5.89022 8.71039 11.6142 9.90168 8.23791 13.7237 5.56627 numMergedOcc 0
44 mol 131 unq 10 iso 0 dist 7.12972 6.85062 6.63273 9.32969 6.92648 9.29384 11.8327 7.92788 13.1439 5.44303 numMergedOcc 0
45 mol 131 unq 11 iso 0 dist 7.12972 6.85062 6.63273 9.32969 6.92648 9.29384 9.90168 8.23791 13.7237 8.50562 numMergedOcc 0
46 mol 131 unq 12 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 11.8327 13.1439 10.3369 5.44303 numMergedOcc 0
47 mol 131 unq 13 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 9.90168 13.7237 7.7567 8.50562 numMergedOcc 0
48 mol 131 unq 14 iso 0 dist 6.85062 7.12972 6.63273 9.32969 9.29384 6.92648 11.8327 13.1439 7.92788 5.44303 numMergedOcc 0
49 mol 131 unq 15 iso 0 dist 6.85062 7.12972 6.63273 9.32969 9.29384 6.92648 9.90168 13.7237 8.23791 8.50562 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 9.4027 8.20836 10.873 6.23142 4.57832 5.29786 9.30061 numMergedOcc 0
51 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 9.4027 8.20836 13.846 6.23142 4.57832 5.71679 9.30061 numMergedOcc 0
52 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 5.12325 8.20836 10.873 9.94764 4.57832 5.29786 9.30061 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 13.8722 6.51749 15.2991 14.2254 5.6044 18.696 7.11785 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 5.93488 6.51749 7.20392 9.72611 5.6044 12.9468 7.11785 numMergedOcc 0
55 mol 181 unq 2 iso 0 dist 9.09537 5.98885 10.1912 5.93488 7.20392 6.51749 9.72611 12.9468 5.6044 7.11785 numMergedOcc 0
56 mol 186 unq 0 iso 0 dist 9.09754 8.87694 9.50685 9.97575 8.64409 15.9107 16.2017 11.6919 20.8288 7.46987 numMergedOcc 0
57 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 5.28092 8.44861 5.60393 9.53629 13.0658 14.4523 9.17946 numMergedOcc 0
58 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 5.28092 8.44861 11.3521 9.53629 13.0658 9.05555 9.17946 numMergedOcc 0
59 mol 205 unq 2 iso 0 dist 7.26832 6.03031 7.38516 5.28092 5.60393 8.44861 9.53629 14.4523 13.0658 9.17946 numMergedOcc 0
60 mol 205 unq 3 iso 0 dist 7.26832 7.80463 13.8543 5.28092 5.60393 11.3521 9.53629 14.4523 9.05555 9.17946 numMergedOcc 0
61 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 9.07471 7.75466 13.3447 9.08955 numMergedOcc 0
62 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 9.8062 12.1951 16.6175 8.88664 numMergedOcc 0
63 mol 222 unq 2 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 10.6381 11.6161 17.2221 7.16819 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 7.55216 9.34734 9.51866 10.6244 5.87815 13.9889 13.0798 6.67321 10.3825 7.95359 numMergedOcc 0
65 mol 227 unq 1 iso 0 dist 7.55216 7.22101 12.4689 10.6244 5.87815 16.0894 13.0798 6.67321 15.6713 7.95359 numMergedOcc 0
66 mol 227 unq 2 iso 0 dist 7.55216 8.65997 12.9332 10.6244 5.87815 17.8603 13.0798 6.67321 16.6985 7.95359 numMergedOcc 0
67 mol 227 unq 3 iso 0 dist 7.55216 7.56888 4.48529 10.6244 5.87815 10.3595 13.0798 6.67321 8.86483 7.95359 numMergedOcc 0
68 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 5.25252 6.86945 12.322 11.0831 6.35641 19.1145 7.39391 numMergedOcc 0
69 mol 252 unq 1 iso 0 dist 7.19638 9.2288 11.7918 5.25252 6.86945 12.2615 11.0831 6.35641 16.9237 7.39391 numMergedOcc 0
70 mol 258 unq 0 iso 0 dist 6.60405 6.42289 7.26417 7.42673 6.70815 7.99477 15.8417 10.8558 13.2927 9.91199 numMergedOcc 0
71 mol 258 unq 1 iso 0 dist 6.42289 6.60405 7.26417 7.42673 7.99477 6.70815 15.8417 13.2927 10.8558 9.91199 numMergedOcc 0
72 mol 261 unq 0 iso 0 dist 9.14619 8.45658 7.00201 6.04016 5.26434 8.60026 10.7876 7.39176 12.8544 8.61563 numMergedOcc 0
73 mol 261 unq 1 iso 0 dist 8.45658 9.14619 7.00201 6.04016 8.60026 5.26434 10.7876 12.8544 7.39176 8.61563 numMergedOcc 0
74 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 4.86504 9.64269 8.46061 12.0724 10.2227 6.32008 9.18635 numMergedOcc 0
75 mol 272 unq 1 iso 0 dist 8.46116 9.97651 8.12676 4.86504 8.46061 9.64269 12.0724 6.32008 10.2227 9.18635 numMergedOcc 0
