0 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 8.09311 11.6226 9.94429 10.0952 6.86014 10.7114 16.0162 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 9.05357 13.1949 6.88355 10.0952 6.86014 10.7114 16.8554 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 6.44287 8.38394 9.0934 10.9819 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 12.3067 7.36323 9.24958 11.0181 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 12.3067 7.36323 9.24958 17.003 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 12.3067 5.54419 4.93188 10.4135 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 12.3067 5.54419 4.93188 9.33482 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.73819 8.44903 5.48048 6.66407 5.07458 4.69849 5.06502 6.20293 10.0649 10.0168 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 6.66407 5.07458 4.69849 5.89973 8.93915 13.5072 10.9975 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 8.13395 6.20293 8.60739 6.75943 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 6.20293 8.60739 9.06158 6.75943 5.41726 4.55347 8.13395 8.80331 9.93832 6.6263 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 7.2846 9.44459 5.73693 9.33906 6.42339 10.7651 5.24762 6.43774 6.06454 11.5679 numMergedOcc 0
12 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 9.95132 8.27828 12.9345 6.54743 6.65595 10.0962 12.544 numMergedOcc 0
13 mol 60 unq 1 iso 0 dist 8.90863 8.82176 13.0114 7.48086 7.80499 5.71764 6.54743 6.65595 10.0962 7.57295 numMergedOcc 0
14 mol 60 unq 2 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 7.29309 8.33063 9.96399 12.8147 numMergedOcc 0
15 mol 60 unq 3 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 5.67502 6.43294 10.0962 7.57295 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.96396 7.04044 8.26458 9.73086 5.70116 7.8972 5.4148 6.19304 8.73253 7.4369 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 9.73086 5.70116 7.8972 14.9342 8.70481 10.3244 12.8207 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 8.68662 6.20232 10.9746 5.4148 9.96396 7.04044 12.2276 numMergedOcc 0
19 mol 73 unq 3 iso 0 dist 6.19304 8.73253 8.26458 8.68662 6.20232 10.9746 13.3558 8.70481 10.3244 13.8931 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 6.19304 8.73253 8.26458 7.4369 5.70116 7.8972 5.4148 9.96396 7.04044 9.73086 numMergedOcc 0
21 mol 73 unq 5 iso 0 dist 6.19304 8.73253 8.26458 7.4369 5.70116 7.8972 13.3558 8.70481 10.3244 12.8207 numMergedOcc 0
22 mol 73 unq 6 iso 0 dist 8.70481 8.85586 14.8866 5.5087 11.2069 5.50891 14.9342 9.96396 16.8706 13.3207 numMergedOcc 0
23 mol 73 unq 7 iso 0 dist 8.70481 8.85586 14.8866 5.5087 11.2069 5.50891 13.3558 6.19304 18.0011 13.8368 numMergedOcc 0
24 mol 73 unq 8 iso 0 dist 8.70481 8.85586 14.8866 6.08682 10.6713 4.75954 14.9342 9.96396 16.8706 14.498 numMergedOcc 0
25 mol 73 unq 9 iso 0 dist 8.70481 8.85586 14.8866 6.08682 10.6713 4.75954 13.3558 6.19304 18.0011 14.5999 numMergedOcc 0
26 mol 73 unq 10 iso 0 dist 8.70481 7.11 8.05119 5.5087 11.2069 7.50869 14.9342 9.96396 12.4407 13.3207 numMergedOcc 0
27 mol 73 unq 11 iso 0 dist 8.70481 7.11 8.05119 5.5087 11.2069 7.50869 13.3558 6.19304 12.0613 13.8368 numMergedOcc 0
28 mol 73 unq 12 iso 0 dist 8.70481 7.11 8.05119 6.08682 10.6713 3.6807 14.9342 9.96396 12.4407 14.498 numMergedOcc 0
29 mol 73 unq 13 iso 0 dist 8.70481 7.11 8.05119 6.08682 10.6713 3.6807 13.3558 6.19304 12.0613 14.5999 numMergedOcc 0
30 mol 85 unq 0 iso 0 dist 6.19965 7.33422 7.91778 7.7068 4.41789 6.33204 5.42586 7.97049 12.3486 10.2413 numMergedOcc 0
31 mol 85 unq 1 iso 0 dist 7.66905 7.33422 10.121 7.7068 5.59906 6.33204 5.42586 7.47541 12.3486 10.2413 numMergedOcc 0
32 mol 85 unq 2 iso 0 dist 7.66905 7.33422 10.121 7.7068 5.59906 6.33204 10.1164 5.73196 14.9249 11.2056 numMergedOcc 0
33 mol 100 unq 0 iso 0 dist 7.47343 9.00544 14.9392 7.82475 5.9143 11.3766 8.8807 6.65086 17.8663 11.9928 numMergedOcc 0
34 mol 100 unq 1 iso 0 dist 7.47343 9.00544 14.9392 7.82475 5.9143 11.3766 12.6515 6.56369 20.2183 10.694 numMergedOcc 0
35 mol 100 unq 2 iso 0 dist 7.47343 9.00544 14.9392 7.82475 5.9143 11.3766 13.887 9.30209 22.6977 14.966 numMergedOcc 0
36 mol 100 unq 3 iso 0 dist 7.47343 9.00544 14.9392 5.35782 5.47563 10.5056 8.8807 6.65086 17.8663 9.94341 numMergedOcc 0
37 mol 100 unq 4 iso 0 dist 7.47343 9.00544 14.9392 5.35782 5.47563 10.5056 12.6515 6.56369 20.2183 9.82522 numMergedOcc 0
38 mol 100 unq 5 iso 0 dist 7.47343 9.00544 14.9392 5.35782 5.47563 10.5056 13.887 9.30209 22.6977 13.4844 numMergedOcc 0
39 mol 100 unq 6 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 8.8807 6.65086 12.6061 11.9928 numMergedOcc 0
40 mol 100 unq 7 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 12.6515 6.56369 18.4011 10.694 numMergedOcc 0
41 mol 100 unq 8 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 13.887 9.30209 17.8494 14.966 numMergedOcc 0
42 mol 100 unq 9 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 8.8807 6.65086 12.6061 9.94341 numMergedOcc 0
43 mol 100 unq 10 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 12.6515 6.56369 18.4011 9.82522 numMergedOcc 0
44 mol 100 unq 11 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 13.887 9.30209 17.8494 13.4844 numMergedOcc 0
45 mol 115 unq 0 iso 0 dist 5.83991 5.72642 6.4497 7.69765 4.48636 7.27912 7.69052 9.33865 10.9734 13.4105 numMergedOcc 0
46 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 9.42082 6.63111 10.5109 7.69052 9.33865 10.9734 6.39384 numMergedOcc 0
47 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 7.69765 11.835 7.27912 7.69052 6.11741 10.9734 13.4105 numMergedOcc 0
48 mol 115 unq 3 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 7.69052 6.11741 10.9734 6.39384 numMergedOcc 0
49 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 5.58833 9.00231 7.06894 9.05135 9.61051 15.3413 14.5521 numMergedOcc 0
50 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 9.27976 3.98662 5.30999 5.55373 7.12972 8.71039 10.0551 numMergedOcc 0
51 mol 131 unq 1 iso 0 dist 8.40312 8.86329 5.89022 9.27976 3.98662 5.30999 10.7062 6.85062 11.6142 10.7579 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 7.21868 8.06642 4.935 5.49782 6.37586 10.873 7.93372 numMergedOcc 0
53 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 7.21868 8.06642 4.935 8.80819 6.49416 13.846 11.988 numMergedOcc 0
54 mol 134 unq 2 iso 0 dist 9.86662 8.20836 5.12325 7.21868 4.00092 4.935 5.49782 9.71307 10.873 7.93372 numMergedOcc 0
55 mol 142 unq 0 iso 0 dist 9.2313 9.17106 12.6057 7.81207 4.67662 9.38687 5.32922 5.31024 12.432 6.14151 numMergedOcc 0
56 mol 142 unq 1 iso 0 dist 9.2313 9.17106 12.6057 7.18002 13.5913 11.093 5.32922 5.31024 12.432 10.7696 numMergedOcc 0
57 mol 142 unq 2 iso 0 dist 7.73169 9.17106 8.38032 7.81207 5.81599 9.38687 5.32922 7.26382 12.432 6.14151 numMergedOcc 0
58 mol 142 unq 3 iso 0 dist 7.73169 9.17106 8.38032 7.18002 9.99555 11.093 5.32922 7.26382 12.432 10.7696 numMergedOcc 0
59 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 6.70693 4.94983 4.71678 5.49936 8.87437 13.1536 10.4895 numMergedOcc 0
60 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 7.65448 6.70283 8.28642 6.70693 numMergedOcc 0
61 mol 152 unq 2 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 10.6875 7.16148 13.1536 10.4895 numMergedOcc 0
62 mol 152 unq 3 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 7.65448 6.70283 8.28642 9.27706 numMergedOcc 0
63 mol 152 unq 4 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 10.6875 7.16148 13.1536 11.6735 numMergedOcc 0
64 mol 152 unq 5 iso 0 dist 6.70283 8.28642 9.35627 6.70693 5.39112 4.71678 7.65448 8.56324 9.77552 6.59889 numMergedOcc 0
65 mol 152 unq 6 iso 0 dist 6.70283 8.28642 9.35627 6.70693 5.39112 4.71678 5.49936 7.16148 13.1536 10.4895 numMergedOcc 0
66 mol 152 unq 7 iso 0 dist 8.67331 8.28642 11.2078 6.70693 9.67475 4.71678 5.49936 8.05741 13.1536 10.4895 numMergedOcc 0
67 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 6.61112 11.0961 8.58039 13.8792 9.70748 18.0414 18.4751 numMergedOcc 0
68 mol 186 unq 1 iso 0 dist 7.54065 7.20574 8.90184 6.61112 11.0961 8.58039 5.74635 8.87694 6.85302 11.456 numMergedOcc 0
69 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 6.99063 9.34734 12.9778 10.7855 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 5.22356 8.65997 5.4694 6.91318 numMergedOcc 0
71 mol 227 unq 2 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 10.8658 7.56888 13.9676 11.2661 numMergedOcc 0
72 mol 227 unq 3 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 12.4689 7.55216 16.9219 12.3663 numMergedOcc 0
73 mol 227 unq 4 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 7.60506 9.34734 12.9778 10.7855 numMergedOcc 0
74 mol 227 unq 5 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 5.22356 7.22101 8.38865 5.23634 numMergedOcc 0
75 mol 227 unq 6 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 9.70012 7.56888 13.9676 11.2661 numMergedOcc 0
76 mol 227 unq 7 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 12.9332 7.55216 16.9219 12.3663 numMergedOcc 0
77 mol 229 unq 0 iso 0 dist 7.03423 8.92743 9.62106 7.27993 7.22525 6.93188 6.84129 9.06952 9.45972 11.9869 numMergedOcc 0
78 mol 234 unq 0 iso 0 dist 9.45496 7.5366 5.63086 7.81215 12.4252 11.0592 5.88703 6.56247 8.24186 11.6391 numMergedOcc 0
79 mol 234 unq 1 iso 0 dist 6.7625 7.5366 5.6819 7.81215 5.75498 11.0592 5.88703 9.36357 8.24186 11.6391 numMergedOcc 0
80 mol 236 unq 0 iso 0 dist 9.81562 8.50331 7.22918 9.3206 4.27181 5.59363 7.28249 8.03456 11.9847 10.1317 numMergedOcc 0
81 mol 236 unq 1 iso 0 dist 7.68742 8.50331 9.05842 9.3206 4.89609 5.59363 7.28249 6.84306 11.9847 10.1317 numMergedOcc 0
82 mol 236 unq 2 iso 0 dist 6.27581 8.50331 7.00028 9.3206 10.5774 5.59363 7.28249 9.99038 11.9847 10.1317 numMergedOcc 0
83 mol 248 unq 0 iso 0 dist 7.69895 6.17052 5.99459 9.05018 4.58289 7.14182 5.55137 7.21521 9.77666 9.33962 numMergedOcc 0
84 mol 248 unq 1 iso 0 dist 7.69895 6.17052 5.99459 9.05018 4.58289 7.14182 10.8081 8.2965 13.0539 11.4547 numMergedOcc 0
85 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 7.15764 7.40852 4.34126 14.9102 8.33025 12.322 13.1298 numMergedOcc 0
86 mol 252 unq 1 iso 0 dist 7.19638 6.86945 5.25252 7.15764 7.40852 4.34126 11.7918 9.2288 12.2615 10.5687 numMergedOcc 0
87 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.85442 10.067 7.32929 6.96053 7.88519 10.5803 10.3406 numMergedOcc 0
88 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 5.85442 10.067 7.32929 7.64658 7.84554 12.4037 12.8546 numMergedOcc 0
89 mol 259 unq 2 iso 0 dist 7.46176 8.55558 5.60748 5.85442 10.067 7.32929 10.5239 9.18903 14.4498 16.0301 numMergedOcc 0
90 mol 259 unq 3 iso 0 dist 7.46176 8.55558 5.60748 6.95511 11.6988 9.55426 6.96053 7.88519 10.5803 9.46361 numMergedOcc 0
91 mol 259 unq 4 iso 0 dist 7.46176 8.55558 5.60748 6.95511 11.6988 9.55426 7.64658 7.84554 12.4037 12.8903 numMergedOcc 0
92 mol 259 unq 5 iso 0 dist 7.46176 8.55558 5.60748 6.95511 11.6988 9.55426 10.5239 9.18903 14.4498 17.104 numMergedOcc 0
