0 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.4076 10.9634 6.82379 14.1378 14.9611 8.77457 4.94497 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 9.22548 12.9396 6.24978 14.1378 14.9611 8.77457 5.61772 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.96553 7.3915 7.43529 7.96511 14.7769 9.66439 14.1378 14.9611 8.77457 10.4848 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 10.8007 15.679 7.48847 4.97119 10.741 6.39966 6.42867 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 6.92532 12.3486 5.03957 12.1187 6.36455 4.97119 10.741 6.39966 6.01808 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 4.54938 6.92532 5.18512 10.8007 9.78944 7.48847 4.97119 6.41575 6.39966 6.42867 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.54938 6.92532 5.18512 5.03957 7.82074 6.36455 4.97119 6.41575 6.39966 6.01808 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 7.82074 6.36455 5.18512 10.6598 9.78944 7.48847 6.01808 6.41575 6.39966 6.42867 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 6.01808 6.41575 6.39966 4.97119 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 6.864 6.92532 9.47529 10.8007 9.56313 7.48847 4.97119 6.41423 6.39966 6.42867 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 6.864 6.92532 9.47529 5.03957 11.0366 6.36455 4.97119 6.41423 6.39966 6.01808 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.05502 11.573 7.83786 4.32034 7.33768 9.69752 9.6469 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 7.05502 11.573 7.83786 8.52463 7.29868 9.36461 14.6654 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 7.05502 10.5273 7.83786 4.32034 12.9284 9.69752 9.6469 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 7.05502 10.5273 7.83786 8.52463 8.60554 9.36461 14.6654 numMergedOcc 0
15 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 5.11617 8.4051 4.90592 13.2229 numMergedOcc 0
16 mol 24 unq 5 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 10.8238 8.75662 8.16324 6.7828 numMergedOcc 0
17 mol 24 unq 6 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 13.2229 8.4051 4.90592 5.11617 numMergedOcc 0
18 mol 24 unq 7 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 6.7828 8.75662 8.16324 10.8238 numMergedOcc 0
19 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 12.2509 16.4714 9.96399 5.32257 12.1928 4.65127 11.2415 numMergedOcc 0
20 mol 60 unq 1 iso 0 dist 8.90863 8.82176 13.0114 5.00018 11.1899 7.55695 5.32257 12.1928 4.65127 5.94827 numMergedOcc 0
21 mol 60 unq 2 iso 0 dist 8.33063 9.96399 9.62257 7.29309 8.7531 7.55695 11.2415 11.816 4.65127 5.94827 numMergedOcc 0
22 mol 60 unq 3 iso 0 dist 8.33063 9.96399 9.62257 12.2509 11.5843 8.82176 11.2415 11.816 4.65127 5.32257 numMergedOcc 0
23 mol 60 unq 4 iso 0 dist 8.7531 7.55695 9.62257 7.29309 8.33063 9.96399 5.94827 11.816 4.65127 11.2415 numMergedOcc 0
24 mol 60 unq 5 iso 0 dist 8.7531 7.55695 9.62257 5.00018 11.5843 8.82176 5.94827 11.816 4.65127 5.32257 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.4148 10.2049 8.73253 5.11416 13.8696 6.48232 6.56633 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 5.4148 6.19304 8.73253 5.11416 9.24757 6.48232 6.56633 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 5.4148 9.96396 7.04044 6.56633 9.24757 6.48232 5.11416 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 9.75218 7.04044 8.35241 5.4148 11.6369 8.73253 5.11416 13.0145 6.48232 6.56633 numMergedOcc 0
29 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 4.26409 11.3023 8.00777 9.29301 9.82915 8.70863 11.165 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 7.95579 8.00777 5.08358 4.26409 6.19965 7.1589 11.165 12.0078 8.70863 9.29301 numMergedOcc 0
31 mol 85 unq 2 iso 0 dist 6.19965 7.1589 5.08358 4.26409 7.95579 8.00777 9.29301 12.0078 8.70863 11.165 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 5.55373 7.12972 8.71039 10.3369 11.8327 8.92828 7.92788 numMergedOcc 0
33 mol 131 unq 1 iso 0 dist 8.40312 8.86329 5.89022 5.55373 7.12972 8.71039 7.7567 9.90168 5.56627 8.23791 numMergedOcc 0
34 mol 131 unq 2 iso 0 dist 7.12972 8.71039 5.89022 5.55373 8.40312 8.86329 7.92788 11.8327 8.92828 10.3369 numMergedOcc 0
35 mol 131 unq 3 iso 0 dist 7.12972 8.71039 5.89022 5.55373 8.40312 8.86329 8.23791 9.90168 5.56627 7.7567 numMergedOcc 0
36 mol 131 unq 4 iso 0 dist 7.12972 6.92648 9.32969 7.58238 14.2958 9.15431 7.92788 11.8327 5.44303 6.51918 numMergedOcc 0
37 mol 131 unq 5 iso 0 dist 7.12972 6.92648 9.32969 7.58238 14.2958 9.15431 8.23791 9.90168 8.50562 9.60968 numMergedOcc 0
38 mol 131 unq 6 iso 0 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 7.92788 11.8327 5.44303 13.1439 numMergedOcc 0
39 mol 131 unq 7 iso 0 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 8.23791 9.90168 8.50562 13.7237 numMergedOcc 0
40 mol 131 unq 8 iso 0 dist 6.85062 9.29384 9.32969 13.2572 14.2958 9.15431 13.1439 11.8327 5.44303 6.51918 numMergedOcc 0
41 mol 131 unq 9 iso 0 dist 6.85062 9.29384 9.32969 13.2572 14.2958 9.15431 13.7237 9.90168 8.50562 9.60968 numMergedOcc 0
42 mol 131 unq 10 iso 0 dist 6.85062 9.29384 9.32969 6.63273 7.12972 6.92648 13.1439 11.8327 5.44303 7.92788 numMergedOcc 0
43 mol 131 unq 11 iso 0 dist 6.85062 9.29384 9.32969 6.63273 7.12972 6.92648 13.7237 9.90168 8.50562 8.23791 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 5.62899 11.7385 7.36779 4.57832 6.23142 9.30061 7.1797 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 9.86662 8.20836 5.12325 5.62899 11.3835 7.36779 4.57832 9.94764 9.30061 7.1797 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 10.1912 15.0228 7.20392 5.6044 14.2254 7.11785 12.9468 numMergedOcc 0
47 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 10.1912 9.09537 7.20392 5.6044 9.72611 7.11785 12.9468 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 9.09537 7.20392 5.93488 10.1912 5.98885 6.51749 12.9468 9.72611 7.11785 5.6044 numMergedOcc 0
49 mol 181 unq 3 iso 0 dist 9.15386 6.51749 7.64267 10.1912 12.9862 7.20392 5.6044 10.428 7.11785 12.9468 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 8.04815 15.6447 9.56197 11.6919 16.2017 7.46987 9.74148 numMergedOcc 0
51 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 13.684 16.9992 7.24795 11.6919 16.2017 7.46987 7.30024 numMergedOcc 0
52 mol 186 unq 2 iso 0 dist 9.09754 8.64409 9.97575 7.18269 14.1487 7.60202 11.6919 16.2017 7.46987 5.3967 numMergedOcc 0
53 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 7.38516 7.26832 5.60393 13.0658 9.53629 9.17946 14.4523 numMergedOcc 0
54 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 7.38516 6.03031 8.44861 14.4523 9.53629 9.17946 13.0658 numMergedOcc 0
55 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 10.5806 12.6531 9.2581 7.75466 9.07471 9.08955 5.89689 numMergedOcc 0
56 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 10.5806 12.6531 9.2581 12.1951 9.8062 8.88664 8.92719 numMergedOcc 0
57 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 10.5806 12.6531 9.2581 11.6161 10.6381 7.16819 5.82526 numMergedOcc 0
58 mol 222 unq 3 iso 0 dist 6.00706 7.862 6.42798 6.9154 11.8674 9.62632 7.75466 9.07471 9.08955 10.6944 numMergedOcc 0
59 mol 222 unq 4 iso 0 dist 6.00706 7.862 6.42798 6.9154 11.8674 9.62632 12.1951 9.8062 8.88664 15.4372 numMergedOcc 0
60 mol 222 unq 5 iso 0 dist 6.00706 7.862 6.42798 6.9154 11.8674 9.62632 11.6161 10.6381 7.16819 12.9388 numMergedOcc 0
61 mol 258 unq 0 iso 0 dist 6.60405 6.70815 7.42673 7.26417 6.42289 7.99477 10.8558 15.8417 9.91199 13.2927 numMergedOcc 0
62 mol 258 unq 1 iso 0 dist 6.42289 7.99477 7.42673 7.26417 6.60405 6.70815 13.2927 15.8417 9.91199 10.8558 numMergedOcc 0
63 mol 261 unq 0 iso 0 dist 9.14619 5.26434 6.04016 7.00201 8.45658 8.60026 7.39176 10.7876 8.61563 12.8544 numMergedOcc 0
64 mol 261 unq 1 iso 0 dist 8.45658 8.60026 6.04016 7.00201 9.14619 5.26434 12.8544 10.7876 8.61563 7.39176 numMergedOcc 0
65 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 4.92077 13.4025 6.04162 5.24812 13.6942 7.21655 6.26382 numMergedOcc 0
66 mol 272 unq 0 iso 0 dist 9.97651 9.64269 4.86504 6.6954 10.1698 6.88809 10.2227 12.0724 9.18635 5.02308 numMergedOcc 0
67 mol 272 unq 1 iso 0 dist 9.97651 9.64269 4.86504 8.12676 8.46116 8.46061 10.2227 12.0724 9.18635 6.32008 numMergedOcc 0
68 mol 272 unq 2 iso 0 dist 8.33638 8.46061 8.7909 8.12676 13.2494 9.64269 6.32008 13.0773 9.18635 10.2227 numMergedOcc 0
69 mol 272 unq 3 iso 0 dist 8.33638 8.46061 8.7909 7.34222 13.168 6.88809 6.32008 13.0773 9.18635 5.02308 numMergedOcc 0
70 mol 272 unq 4 iso 0 dist 8.46116 8.46061 4.86504 8.12676 9.97651 9.64269 6.32008 12.0724 9.18635 10.2227 numMergedOcc 0
71 mol 272 unq 5 iso 0 dist 8.46116 8.46061 4.86504 7.34222 10.1698 6.88809 6.32008 12.0724 9.18635 5.02308 numMergedOcc 0
