0 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 10.5523 8.13395 7.05402 10.8828 8.80331 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 8.13395 6.20293 8.60739 6.75943 10.5523 5.06502 5.64171 4.96926 5.73819 numMergedOcc 0
2 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 14.7803 6.45462 11.3891 10.0383 8.93915 numMergedOcc 0
3 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 10.0828 4.73512 11.343 5.96376 9.25011 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.90863 8.82176 13.0114 9.95132 8.27828 12.9345 6.54743 6.65595 10.0962 12.544 11.5843 10.6819 9.62257 16.1296 6.43294 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 8.90863 8.82176 13.0114 9.95132 8.27828 12.9345 6.54743 6.65595 10.0962 12.544 12.4757 8.93946 9.79058 13.1523 8.52121 numMergedOcc 0
6 mol 60 unq 3 iso 0 dist 8.90863 8.82176 13.0114 7.48086 7.80499 5.71764 6.54743 6.65595 10.0962 7.57295 10.0828 4.73512 11.343 5.6397 9.25011 numMergedOcc 0
7 mol 60 unq 4 iso 0 dist 8.90863 8.82176 13.0114 7.48086 7.80499 5.71764 6.54743 6.65595 10.0962 7.57295 11.5843 10.6819 9.62257 8.62476 6.43294 numMergedOcc 0
8 mol 60 unq 5 iso 0 dist 8.90863 8.82176 13.0114 7.48086 7.80499 5.71764 6.54743 6.65595 10.0962 7.57295 12.4757 8.93946 9.79058 6.55502 8.52121 numMergedOcc 0
9 mol 60 unq 6 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 5.67502 6.43294 10.0962 7.57295 11.1899 10.6819 13.0114 7.80499 6.65595 numMergedOcc 0
10 mol 60 unq 7 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 5.67502 6.43294 10.0962 7.57295 12.4656 11.3621 11.343 5.6397 9.25011 numMergedOcc 0
11 mol 60 unq 8 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 5.67502 6.43294 10.0962 7.57295 11.6311 5.51199 9.79058 6.55502 8.52121 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.19304 8.73253 8.26458 8.68662 6.20232 10.9746 5.4148 9.96396 7.04044 12.2276 11.6369 12.016 8.35241 17.2422 9.75218 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 6.19304 8.73253 8.26458 8.68662 6.20232 10.9746 5.4148 9.96396 7.04044 12.2276 10.2049 15.7123 15.7304 18.7673 9.38498 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 7.4369 5.70116 7.8972 5.4148 9.96396 7.04044 9.73086 11.6369 12.016 8.35241 14.844 9.75218 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 6.19304 8.73253 8.26458 7.4369 5.70116 7.8972 5.4148 9.96396 7.04044 9.73086 10.2049 15.7123 15.7304 17.4121 9.38498 numMergedOcc 0
16 mol 73 unq 4 iso 0 dist 8.70481 8.85586 14.8866 5.5087 11.2069 5.50891 14.9342 9.96396 16.8706 13.3207 10.1207 12.016 10.6419 6.19168 9.75218 numMergedOcc 0
17 mol 73 unq 5 iso 0 dist 8.70481 8.85586 14.8866 5.5087 11.2069 5.50891 14.9342 9.96396 16.8706 13.3207 20.257 15.7123 23.7349 19.0013 9.38498 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 8.70481 8.85586 14.8866 6.08682 10.6713 4.75954 14.9342 9.96396 16.8706 14.498 10.1207 12.016 10.6419 10.532 9.75218 numMergedOcc 0
19 mol 73 unq 7 iso 0 dist 8.70481 8.85586 14.8866 6.08682 10.6713 4.75954 14.9342 9.96396 16.8706 14.498 20.257 15.7123 23.7349 21.9204 9.38498 numMergedOcc 0
20 mol 73 unq 8 iso 0 dist 8.70481 7.11 8.05119 5.5087 11.2069 7.50869 14.9342 9.96396 12.4407 13.3207 10.1207 12.016 11.2112 6.19168 9.75218 numMergedOcc 0
21 mol 73 unq 9 iso 0 dist 8.70481 7.11 8.05119 5.5087 11.2069 7.50869 14.9342 9.96396 12.4407 13.3207 20.257 15.7123 20.464 19.0013 9.38498 numMergedOcc 0
22 mol 73 unq 10 iso 0 dist 8.70481 7.11 8.05119 6.08682 10.6713 3.6807 14.9342 9.96396 12.4407 14.498 10.1207 12.016 11.2112 10.532 9.75218 numMergedOcc 0
23 mol 73 unq 11 iso 0 dist 8.70481 7.11 8.05119 6.08682 10.6713 3.6807 14.9342 9.96396 12.4407 14.498 20.257 15.7123 20.464 21.9204 9.38498 numMergedOcc 0
24 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 7.66905 6.9948 10.121 5.59906 7.47541 numMergedOcc 0
25 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 6.19965 6.9948 7.91778 4.41789 7.97049 numMergedOcc 0
26 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 12.0662 5.88134 18.942 9.70168 9.60661 numMergedOcc 0
27 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 12.0662 5.88134 18.942 9.70168 9.35224 numMergedOcc 0
28 mol 100 unq 2 iso 0 dist 7.47343 9.00544 14.9392 5.35782 5.47563 10.5056 8.8807 6.65086 17.8663 9.94341 12.0662 5.88134 18.942 10.8282 9.60661 numMergedOcc 0
29 mol 100 unq 3 iso 0 dist 7.47343 9.00544 14.9392 5.35782 5.47563 10.5056 12.6515 6.56369 20.2183 9.82522 12.0662 5.88134 18.942 10.8282 9.35224 numMergedOcc 0
30 mol 100 unq 4 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 8.8807 6.65086 12.6061 11.9928 12.0662 5.88134 14.8903 9.70168 9.60661 numMergedOcc 0
31 mol 100 unq 5 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 12.6515 6.56369 18.4011 10.694 12.0662 5.88134 14.8903 9.70168 9.35224 numMergedOcc 0
32 mol 100 unq 6 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 8.8807 6.65086 12.6061 9.94341 12.0662 5.88134 14.8903 10.8282 9.60661 numMergedOcc 0
33 mol 100 unq 7 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 12.6515 6.56369 18.4011 9.82522 12.0662 5.88134 14.8903 10.8282 9.35224 numMergedOcc 0
34 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 7.88312 8.02349 7.3094 11.835 6.11741 numMergedOcc 0
35 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 7.88312 8.02349 7.3094 6.07067 6.11741 numMergedOcc 0
36 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 5.83991 8.02349 6.4497 4.48636 9.33865 numMergedOcc 0
37 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 5.83991 8.02349 6.4497 6.63111 9.33865 numMergedOcc 0
38 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 9.86662 6.81259 5.12325 4.00092 9.71307 numMergedOcc 0
39 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 11.9139 5.00526 13.1292 12.847 6.54501 numMergedOcc 0
40 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 8.94367 6.81259 9.4027 8.06642 6.37586 numMergedOcc 0
41 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 7.73169 5.50998 8.38032 5.81599 7.26382 numMergedOcc 0
42 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 7.73169 5.50998 8.38032 9.99555 7.26382 numMergedOcc 0
43 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 9.2313 5.50998 12.6057 4.67662 5.31024 numMergedOcc 0
44 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 9.2313 5.50998 12.6057 13.5913 5.31024 numMergedOcc 0
45 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 6.70283 5.42328 9.35627 5.39112 7.16148 numMergedOcc 0
46 mol 152 unq 1 iso 0 dist 5.87555 8.28642 5.70788 6.70693 4.94983 4.71678 5.49936 8.87437 13.1536 10.4895 8.67331 5.54906 11.2078 9.67475 8.05741 numMergedOcc 0
47 mol 152 unq 2 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 7.65448 6.70283 8.28642 6.70693 10.399 5.42328 5.70788 4.94983 5.87555 numMergedOcc 0
48 mol 152 unq 3 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 7.65448 6.70283 8.28642 6.70693 14.1618 6.4896 11.2078 9.67475 8.67331 numMergedOcc 0
49 mol 152 unq 4 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 10.6875 7.16148 13.1536 10.4895 10.399 5.42328 5.70788 4.94983 8.87437 numMergedOcc 0
50 mol 152 unq 5 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 10.6875 7.16148 13.1536 10.4895 14.1618 6.4896 11.2078 9.67475 8.05741 numMergedOcc 0
51 mol 152 unq 6 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 7.65448 6.70283 8.28642 9.27706 10.399 5.42328 5.70788 5.97582 5.87555 numMergedOcc 0
52 mol 152 unq 7 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 7.65448 6.70283 8.28642 9.27706 14.1618 6.4896 11.2078 9.20746 8.67331 numMergedOcc 0
53 mol 152 unq 8 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 10.6875 7.16148 13.1536 11.6735 10.399 5.42328 5.70788 5.97582 8.87437 numMergedOcc 0
54 mol 152 unq 9 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 10.6875 7.16148 13.1536 11.6735 14.1618 6.4896 11.2078 9.20746 8.05741 numMergedOcc 0
55 mol 152 unq 10 iso 0 dist 6.70283 8.28642 9.35627 6.70693 5.39112 4.71678 5.49936 7.16148 13.1536 10.4895 5.87555 5.42328 5.70788 4.94983 8.87437 numMergedOcc 0
56 mol 152 unq 11 iso 0 dist 6.70283 8.28642 9.35627 6.70693 5.39112 4.71678 5.49936 7.16148 13.1536 10.4895 8.67331 6.4896 11.2078 9.67475 8.05741 numMergedOcc 0
57 mol 152 unq 12 iso 0 dist 8.67331 8.28642 11.2078 6.70693 9.67475 4.71678 5.49936 8.05741 13.1536 10.4895 5.87555 5.54906 5.70788 4.94983 8.87437 numMergedOcc 0
58 mol 152 unq 13 iso 0 dist 8.67331 8.28642 11.2078 6.70693 9.67475 4.71678 5.49936 8.05741 13.1536 10.4895 6.70283 6.4896 9.35627 5.39112 7.16148 numMergedOcc 0
59 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 6.61112 11.0961 8.58039 5.74635 8.87694 6.85302 11.456 10.7914 9.50685 4.37002 12.4091 9.09754 numMergedOcc 0
60 mol 227 unq 0 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 5.22356 7.22101 8.38865 5.23634 10.8157 4.39704 12.9587 5.83175 7.09863 numMergedOcc 0
61 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 12.9605 6.29886 11.7705 14.898 8.34494 numMergedOcc 0
62 mol 234 unq 1 iso 0 dist 9.45496 7.5366 5.63086 7.81215 12.4252 11.0592 5.88703 6.56247 8.24186 11.6391 6.7625 7.82322 5.6819 5.75498 9.36357 numMergedOcc 0
63 mol 234 unq 2 iso 0 dist 6.7625 7.5366 5.6819 7.81215 5.75498 11.0592 5.88703 9.36357 8.24186 11.6391 12.9605 12.1694 11.7705 14.898 8.34494 numMergedOcc 0
64 mol 234 unq 3 iso 0 dist 6.7625 7.5366 5.6819 7.81215 5.75498 11.0592 5.88703 9.36357 8.24186 11.6391 9.45496 7.82322 5.63086 12.4252 6.56247 numMergedOcc 0
65 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 7.68742 5.79505 9.05842 4.89609 6.84306 numMergedOcc 0
66 mol 236 unq 1 iso 0 dist 9.81562 8.50331 7.22918 9.3206 4.27181 5.59363 7.28249 8.03456 11.9847 10.1317 6.27581 9.90963 7.00028 10.5774 9.99038 numMergedOcc 0
67 mol 236 unq 2 iso 0 dist 9.81562 8.50331 7.22918 9.3206 4.27181 5.59363 7.28249 8.03456 11.9847 10.1317 13.499 6.96005 11.7392 11.0923 9.78037 numMergedOcc 0
68 mol 236 unq 3 iso 0 dist 9.81562 8.50331 7.22918 9.3206 4.27181 5.59363 7.28249 8.03456 11.9847 10.1317 11.2141 14.2337 16.3568 16.9105 8.35971 numMergedOcc 0
69 mol 236 unq 4 iso 0 dist 7.68742 8.50331 9.05842 9.3206 4.89609 5.59363 7.28249 6.84306 11.9847 10.1317 9.81562 5.79505 7.22918 4.27181 8.03456 numMergedOcc 0
70 mol 236 unq 5 iso 0 dist 7.68742 8.50331 9.05842 9.3206 4.89609 5.59363 7.28249 6.84306 11.9847 10.1317 6.27581 11.3368 7.00028 10.5774 9.99038 numMergedOcc 0
71 mol 236 unq 6 iso 0 dist 7.68742 8.50331 9.05842 9.3206 4.89609 5.59363 7.28249 6.84306 11.9847 10.1317 13.499 11.8739 11.7392 11.0923 9.78037 numMergedOcc 0
72 mol 236 unq 7 iso 0 dist 7.68742 8.50331 9.05842 9.3206 4.89609 5.59363 7.28249 6.84306 11.9847 10.1317 11.2141 14.7998 16.3568 16.9105 8.35971 numMergedOcc 0
73 mol 236 unq 8 iso 0 dist 6.27581 8.50331 7.00028 9.3206 10.5774 5.59363 7.28249 9.99038 11.9847 10.1317 9.81562 9.90963 7.22918 4.27181 8.03456 numMergedOcc 0
74 mol 236 unq 9 iso 0 dist 6.27581 8.50331 7.00028 9.3206 10.5774 5.59363 7.28249 9.99038 11.9847 10.1317 7.68742 11.3368 9.05842 4.89609 6.84306 numMergedOcc 0
75 mol 236 unq 10 iso 0 dist 6.27581 8.50331 7.00028 9.3206 10.5774 5.59363 7.28249 9.99038 11.9847 10.1317 13.499 11.1557 11.7392 11.0923 9.78037 numMergedOcc 0
76 mol 236 unq 11 iso 0 dist 6.27581 8.50331 7.00028 9.3206 10.5774 5.59363 7.28249 9.99038 11.9847 10.1317 11.2141 10.7497 16.3568 16.9105 8.35971 numMergedOcc 0
77 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 10.5136 6.0987 6.28227 5.6214 8.1148 numMergedOcc 0
78 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 10.5136 6.0987 6.28227 5.6214 8.1715 numMergedOcc 0
79 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 10.3935 4.69778 6.1686 11.4598 8.13497 numMergedOcc 0
80 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 6.95511 11.6988 9.55426 6.96053 7.88519 10.5803 9.46361 10.3935 4.69778 6.1686 12.2293 8.13497 numMergedOcc 0
