0 mol 8 unq 0 iso 0 dist 9.95165 12.915 7.3915 16.9034 8.77457 14.1378 11.959 7.43529 8.96553 14.9611 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.23617 14.4019 6.92532 12.9223 6.39966 4.97119 21.0095 12.3486 7.20519 10.741 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 12.9223 6.39966 4.97119 14.2971 5.18512 4.54938 6.41575 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 9.23617 14.4019 6.92532 12.9223 6.39966 4.97119 18.119 9.47529 6.864 6.41423 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 9.23617 10.38 6.36455 12.9223 6.39966 6.01808 14.2971 5.18512 7.82074 6.41575 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 8.59114 14.3476 6.92532 10.8426 6.39966 4.97119 19.776 12.3486 7.20519 10.741 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 8.59114 14.3476 6.92532 10.8426 6.39966 4.97119 12.8189 5.18512 4.54938 6.41575 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 8.59114 14.3476 6.92532 10.8426 6.39966 4.97119 14.4543 9.47529 6.864 6.41423 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 8.59114 12.7 6.36455 10.8426 6.39966 6.01808 12.8189 5.18512 7.82074 6.41575 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 8.63204 6.57145 6.92532 10.5195 6.39966 4.97119 10.7917 12.3486 7.20519 10.741 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 8.63204 6.57145 6.92532 10.5195 6.39966 4.97119 8.18518 5.18512 4.54938 6.41575 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 8.63204 6.57145 6.92532 10.5195 6.39966 4.97119 12.9091 9.47529 6.864 6.41423 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 8.63204 6.01189 6.36455 10.5195 6.39966 6.01808 8.18518 5.18512 7.82074 6.41575 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 10.7574 9.69752 4.32034 6.85331 6.00575 6.86014 7.33768 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 4.61828 9.20254 6.60423 10.7574 9.69752 4.32034 10.4452 5.97304 8.86116 12.9284 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 4.61828 9.20254 6.60423 12.8157 9.36461 8.52463 6.85331 6.00575 6.86014 7.29868 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 4.61828 9.20254 6.60423 12.8157 9.36461 8.52463 10.4452 5.97304 8.86116 8.60554 numMergedOcc 0
17 mol 60 unq 0 iso 0 dist 7.4674 12.6215 9.96399 9.42123 4.65127 11.2415 15.7602 9.62257 8.33063 11.816 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 7.4674 12.7297 7.55695 9.42123 4.65127 5.94827 15.7602 9.62257 8.7531 11.816 numMergedOcc 0
19 mol 60 unq 2 iso 0 dist 7.4674 14.5723 8.82176 9.42123 4.65127 5.32257 20.3893 13.0114 8.90863 12.1928 numMergedOcc 0
20 mol 60 unq 3 iso 0 dist 8.4928 5.09908 9.96399 11.6385 4.65127 11.2415 8.8058 9.62257 8.33063 11.816 numMergedOcc 0
21 mol 60 unq 4 iso 0 dist 8.4928 10.0675 7.55695 11.6385 4.65127 5.94827 8.8058 9.62257 8.7531 11.816 numMergedOcc 0
22 mol 60 unq 5 iso 0 dist 8.4928 14.3334 8.82176 11.6385 4.65127 5.32257 17.8366 13.0114 8.90863 12.1928 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 6.14415 6.89762 7.12017 10.0156 9.5669 9.75737 9.57498 9.52882 6.45675 15.8683 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 6.14415 6.89762 7.12017 10.0156 9.5669 9.75737 10.0165 12.6602 7.47343 16.5404 numMergedOcc 0
25 mol 100 unq 2 iso 0 dist 6.14415 6.89762 7.12017 10.0156 9.5669 9.75737 15.6218 14.8674 8.86688 16.3323 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 7.73842 5.24877 6.34525 14.9324 9.35942 12.7083 9.24515 11.128 7.5732 19.2926 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 15.2909 8.8562 7.20179 10.2589 3.78311 8.73993 6.52773 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 8.84146 13.7656 7.77116 4.96177 7.91683 9.89358 10.2589 3.78311 8.73993 9.23858 numMergedOcc 0
29 mol 126 unq 0 iso 0 dist 7.68174 13.9162 9.46588 8.31794 5.94233 6.0268 12.477 5.5703 6.06638 6.30546 numMergedOcc 0
30 mol 126 unq 1 iso 0 dist 7.68174 13.9162 9.46588 9.33341 8.56219 8.01268 12.477 5.5703 6.06638 10.0699 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 4.97005 9.14781 8.64409 5.80701 7.46987 11.6919 11.0743 9.97575 9.09754 16.2017 numMergedOcc 0
32 mol 188 unq 0 iso 0 dist 8.8513 7.63908 8.47347 5.20086 5.73306 6.43967 10.7448 4.46081 9.96154 9.38004 numMergedOcc 0
33 mol 188 unq 1 iso 0 dist 9.53031 7.63236 8.47347 10.4355 5.73306 6.43967 7.63268 4.46081 9.96154 9.38004 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 9.04499 5.68063 7.862 13.0565 9.08955 7.75466 7.27481 6.42798 6.00706 9.07471 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 9.04499 5.68063 7.862 15.9525 8.88664 12.1951 7.27481 6.42798 6.00706 9.8062 numMergedOcc 0
36 mol 222 unq 2 iso 0 dist 9.04499 5.68063 7.862 15.2255 7.16819 11.6161 7.27481 6.42798 6.00706 10.6381 numMergedOcc 0
37 mol 272 unq 0 iso 0 dist 7.11691 11.9042 9.64269 8.64133 9.18635 10.2227 6.62923 4.86504 9.97651 12.0724 numMergedOcc 0
38 mol 272 unq 1 iso 0 dist 7.11691 5.27123 8.46061 8.64133 9.18635 6.32008 4.78812 8.7909 8.33638 13.0773 numMergedOcc 0
39 mol 272 unq 2 iso 0 dist 7.11691 5.27123 8.46061 8.64133 9.18635 6.32008 6.62923 4.86504 8.46116 12.0724 numMergedOcc 0
