0 mol 8 unq 0 iso 0 dist 8.89145 9.95165 12.1308 15.9496 16.9962 6.82379 16.9034 20.1569 8.77457 4.94497 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.89145 9.95165 12.1308 14.678 18.3272 6.24978 16.9034 20.1569 8.77457 5.61772 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.89145 9.95165 12.1308 17.3707 20.6134 9.66439 16.9034 20.1569 8.77457 10.4848 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.89145 9.95165 12.1308 12.915 14.0228 7.3915 16.9034 20.1569 8.77457 14.1378 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 6.92865 9.95165 5.02333 15.9496 9.88063 6.82379 16.9034 12.2927 8.77457 4.94497 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 6.92865 9.95165 5.02333 14.678 11.0287 6.24978 16.9034 12.2927 8.77457 5.61772 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 6.92865 9.95165 5.02333 17.3707 14.5532 9.66439 16.9034 12.2927 8.77457 10.4848 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 6.92865 9.95165 5.02333 12.915 10.5239 7.3915 16.9034 12.2927 8.77457 14.1378 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 8.18518 8.63204 5.18512 15.2051 9.78944 7.48847 10.5195 6.41575 6.39966 6.42867 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 8.18518 8.63204 5.18512 6.57145 4.54938 6.92532 10.5195 6.41575 6.39966 4.97119 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 8.18518 8.63204 5.18512 6.01189 7.82074 6.36455 10.5195 6.41575 6.39966 6.01808 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.85331 4.61828 6.00575 9.20254 6.86014 6.60423 10.7574 7.33768 9.69752 4.32034 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 6.85331 4.61828 6.00575 9.20254 6.86014 6.60423 12.8157 7.29868 9.36461 8.52463 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 6.85331 4.61828 6.00575 8.8926 11.573 7.83786 10.7574 7.33768 9.69752 9.6469 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 6.85331 4.61828 6.00575 8.8926 11.573 7.83786 12.8157 7.29868 9.36461 14.6654 numMergedOcc 0
15 mol 53 unq 0 iso 0 dist 8.94173 8.83047 13.3355 14.3035 20.3371 7.09169 12.4655 19.5543 7.75295 5.09224 numMergedOcc 0
16 mol 53 unq 1 iso 0 dist 8.62669 6.95013 8.64107 5.02495 12.3257 7.09169 7.96384 14.8992 7.75295 5.09224 numMergedOcc 0
17 mol 60 unq 0 iso 0 dist 8.8058 8.4928 9.62257 5.09908 8.33063 9.96399 11.6385 11.816 4.65127 11.2415 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 8.8058 8.4928 9.62257 10.0675 8.7531 7.55695 11.6385 11.816 4.65127 5.94827 numMergedOcc 0
19 mol 60 unq 2 iso 0 dist 8.8058 8.4928 9.62257 14.3334 11.5843 8.82176 11.6385 11.816 4.65127 5.32257 numMergedOcc 0
20 mol 75 unq 0 iso 0 dist 7.16583 6.59253 5.36954 8.82267 12.3916 7.9233 6.05353 9.81166 7.6433 5.38908 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 9.57498 6.14415 9.52882 6.89762 6.45675 7.12017 10.0156 15.8683 9.5669 9.75737 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 9.24515 7.73842 11.128 5.24877 7.5732 6.34525 14.9324 19.2926 9.35942 12.7083 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.03597 4.97005 7.63746 11.3961 16.8364 9.56197 5.80701 10.7725 7.46987 9.74148 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 8.03597 4.97005 7.63746 10.0248 10.818 7.24795 5.80701 10.7725 7.46987 7.30024 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 8.03597 4.97005 7.63746 9.14781 15.5216 8.64409 5.80701 10.7725 7.46987 11.6919 numMergedOcc 0
26 mol 186 unq 3 iso 0 dist 8.03597 4.97005 7.63746 6.69897 13.7617 7.60202 5.80701 10.7725 7.46987 5.3967 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 7.63268 9.53031 4.46081 7.63236 9.96154 8.47347 10.4355 9.38004 5.73306 6.43967 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 7.27481 9.04499 6.42798 15.0199 12.6531 9.2581 13.0565 9.07471 9.08955 5.89689 numMergedOcc 0
29 mol 222 unq 1 iso 0 dist 7.27481 9.04499 6.42798 15.0199 12.6531 9.2581 15.9525 9.8062 8.88664 8.92719 numMergedOcc 0
30 mol 222 unq 2 iso 0 dist 7.27481 9.04499 6.42798 15.0199 12.6531 9.2581 15.2255 10.6381 7.16819 5.82526 numMergedOcc 0
31 mol 222 unq 3 iso 0 dist 7.27481 9.04499 6.42798 8.88 11.8674 9.62632 13.0565 9.07471 9.08955 10.6944 numMergedOcc 0
32 mol 222 unq 4 iso 0 dist 7.27481 9.04499 6.42798 8.88 11.8674 9.62632 15.9525 9.8062 8.88664 15.4372 numMergedOcc 0
33 mol 222 unq 5 iso 0 dist 7.27481 9.04499 6.42798 8.88 11.8674 9.62632 15.2255 10.6381 7.16819 12.9388 numMergedOcc 0
34 mol 222 unq 6 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 13.0565 9.07471 9.08955 7.75466 numMergedOcc 0
35 mol 222 unq 7 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 15.9525 9.8062 8.88664 12.1951 numMergedOcc 0
36 mol 222 unq 8 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 15.2255 10.6381 7.16819 11.6161 numMergedOcc 0
37 mol 272 unq 0 iso 0 dist 4.78812 7.11691 8.7909 11.9042 13.2494 9.64269 8.64133 13.0773 9.18635 10.2227 numMergedOcc 0
38 mol 272 unq 1 iso 0 dist 4.78812 7.11691 8.7909 9.87214 13.168 6.88809 8.64133 13.0773 9.18635 5.02308 numMergedOcc 0
39 mol 272 unq 2 iso 0 dist 4.78812 7.11691 8.7909 5.27123 8.33638 8.46061 8.64133 13.0773 9.18635 6.32008 numMergedOcc 0
40 mol 272 unq 3 iso 0 dist 6.62923 7.11691 4.86504 11.9042 9.97651 9.64269 8.64133 12.0724 9.18635 10.2227 numMergedOcc 0
41 mol 272 unq 4 iso 0 dist 6.62923 7.11691 4.86504 9.87214 10.1698 6.88809 8.64133 12.0724 9.18635 5.02308 numMergedOcc 0
42 mol 272 unq 5 iso 0 dist 6.62923 7.11691 4.86504 5.27123 8.46116 8.46061 8.64133 12.0724 9.18635 6.32008 numMergedOcc 0
