0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.2041 10.5461 5.72491 5.99459 6.88805 8.0744 9.67164 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 5.72491 5.44992 12.2041 12.2333 7.88043 9.67164 13.156 8.0744 5.99459 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.4076 10.9634 6.82379 12.536 7.12261 8.64248 6.56356 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 10.4135 6.28159 7.55689 8.87744 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 9.33482 5.50396 5.11135 7.27472 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 11.0181 4.82629 8.32592 6.6219 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 17.003 10.1698 8.10397 5.68215 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 7.57578 6.90155 9.36158 10.6808 13.7311 5.81959 16.617 16.6583 11.4877 7.6114 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 7.17969 6.90155 10.1525 10.6808 12.9968 5.81959 16.617 15.8087 11.4877 7.6114 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 7.31767 5.81959 7.63409 10.6808 12.4135 6.90155 11.4732 14.1577 6.86525 4.79873 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 7.31767 5.81959 7.63409 10.6808 12.4135 6.90155 17.8732 15.57 13.7717 9.48085 numMergedOcc 0
11 mol 25 unq 4 iso 0 dist 6.03987 5.81959 8.4666 10.6808 11.6743 6.90155 11.4732 14.321 6.86525 4.79873 numMergedOcc 0
12 mol 25 unq 5 iso 0 dist 6.03987 5.81959 8.4666 10.6808 11.6743 6.90155 17.8732 15.7846 13.7717 9.48085 numMergedOcc 0
13 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 8.13395 10.5523 9.93832 6.75943 4.96926 4.55347 6.6263 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 8.80331 9.93832 9.06158 8.13395 6.20293 8.60739 6.6263 5.41726 4.55347 6.75943 numMergedOcc 0
15 mol 43 unq 2 iso 0 dist 6.20293 8.60739 9.06158 8.13395 8.80331 9.93832 6.75943 5.41726 4.55347 6.6263 numMergedOcc 0
16 mol 43 unq 3 iso 0 dist 8.93915 8.60739 11.3891 8.13395 14.7803 9.93832 6.75943 10.0383 4.55347 6.6263 numMergedOcc 0
17 mol 45 unq 0 iso 0 dist 6.43774 6.06454 5.73693 5.24762 7.2846 9.44459 11.5679 6.42339 10.7651 9.33906 numMergedOcc 0
18 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 5.00018 11.1899 7.55695 7.48086 7.80499 5.71764 8.4312 numMergedOcc 0
19 mol 60 unq 1 iso 0 dist 8.33063 9.96399 9.62257 7.29309 8.7531 7.55695 12.8147 8.62476 5.71764 8.4312 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 8.33063 9.96399 9.62257 12.2509 11.5843 8.82176 20.3344 16.1296 12.9345 9.95132 numMergedOcc 0
21 mol 60 unq 3 iso 0 dist 8.33063 9.96399 9.62257 12.2509 11.5843 8.82176 12.8147 8.62476 5.71764 7.48086 numMergedOcc 0
22 mol 60 unq 4 iso 0 dist 8.7531 7.55695 9.62257 5.00018 11.5843 8.82176 14.0656 16.1296 12.9345 9.95132 numMergedOcc 0
23 mol 60 unq 5 iso 0 dist 8.7531 7.55695 9.62257 5.00018 11.5843 8.82176 8.4312 8.62476 5.71764 7.48086 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.4148 10.2049 8.73253 12.2276 18.7673 10.9746 8.68662 numMergedOcc 0
25 mol 73 unq 1 iso 0 dist 9.38498 7.04044 15.7304 5.4148 10.2049 8.73253 9.73086 17.4121 7.8972 7.4369 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 9.96396 7.04044 8.26458 5.4148 6.19304 8.73253 12.2276 6.20232 10.9746 8.68662 numMergedOcc 0
27 mol 73 unq 3 iso 0 dist 9.96396 7.04044 8.26458 5.4148 6.19304 8.73253 9.73086 5.70116 7.8972 7.4369 numMergedOcc 0
28 mol 73 unq 4 iso 0 dist 6.19304 8.73253 8.26458 5.4148 9.96396 7.04044 7.4369 5.70116 7.8972 9.73086 numMergedOcc 0
29 mol 73 unq 5 iso 0 dist 8.70481 8.85586 14.8866 8.07446 16.0098 5.16364 10.2939 15.9527 5.56296 8.72682 numMergedOcc 0
30 mol 73 unq 6 iso 0 dist 8.70481 8.85586 14.8866 8.07446 16.0098 5.16364 8.62198 13.49 6.69436 6.45841 numMergedOcc 0
31 mol 73 unq 7 iso 0 dist 8.70481 8.85586 14.8866 8.07446 16.0098 5.16364 5.5087 11.2069 5.50891 5.61588 numMergedOcc 0
32 mol 73 unq 8 iso 0 dist 8.70481 8.85586 14.8866 8.07446 16.0098 5.16364 6.08682 10.6713 4.75954 7.83244 numMergedOcc 0
33 mol 73 unq 9 iso 0 dist 9.75218 7.04044 8.35241 5.4148 11.6369 8.73253 12.2276 17.2422 10.9746 8.68662 numMergedOcc 0
34 mol 73 unq 10 iso 0 dist 9.75218 7.04044 8.35241 5.4148 11.6369 8.73253 9.73086 14.844 7.8972 7.4369 numMergedOcc 0
35 mol 112 unq 0 iso 0 dist 7.71338 6.47042 10.0814 4.8896 11.5121 6.78038 8.47988 6.95317 8.90959 9.02706 numMergedOcc 0
36 mol 112 unq 1 iso 0 dist 7.71338 6.47042 10.0814 4.8896 11.5121 6.78038 8.0427 7.57713 4.4941 9.39168 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 4.85907 10.3704 7.99857 7.64052 9.68677 6.29394 6.99446 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 9.87172 7.99857 7.61939 4.85907 12.6489 8.56342 6.99446 6.20019 6.29394 7.64052 numMergedOcc 0
39 mol 131 unq 0 iso 0 dist 7.12972 8.71039 5.89022 5.55373 8.40312 8.86329 10.0551 3.98662 5.30999 9.27976 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 5.62899 11.7385 7.36779 7.21868 8.06642 4.935 9.66543 numMergedOcc 0
41 mol 134 unq 1 iso 0 dist 9.86662 8.20836 5.12325 5.62899 11.3835 7.36779 7.21868 4.00092 4.935 9.66543 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 7.65448 10.399 9.77552 6.70693 4.94983 4.71678 6.59889 numMergedOcc 0
43 mol 152 unq 1 iso 0 dist 5.87555 8.28642 5.70788 7.65448 10.399 9.77552 9.27706 5.97582 7.11377 8.9192 numMergedOcc 0
44 mol 152 unq 2 iso 0 dist 8.56324 9.77552 9.35627 7.65448 6.70283 8.28642 6.59889 5.39112 4.71678 6.70693 numMergedOcc 0
45 mol 152 unq 3 iso 0 dist 6.70283 8.28642 9.35627 7.65448 8.56324 9.77552 6.70693 5.39112 4.71678 6.59889 numMergedOcc 0
46 mol 152 unq 4 iso 0 dist 6.70283 8.28642 9.35627 7.65448 8.56324 9.77552 9.27706 4.84714 7.11377 8.9192 numMergedOcc 0
47 mol 152 unq 5 iso 0 dist 8.67331 8.28642 11.2078 7.65448 14.1618 9.77552 6.70693 9.67475 4.71678 6.59889 numMergedOcc 0
48 mol 152 unq 6 iso 0 dist 8.67331 8.28642 11.2078 7.65448 14.1618 9.77552 9.27706 9.20746 7.11377 8.9192 numMergedOcc 0
49 mol 186 unq 0 iso 0 dist 8.87694 6.85302 8.90184 5.74635 7.54065 7.20574 11.456 11.0961 8.58039 6.61112 numMergedOcc 0
50 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 13.684 16.9992 7.24795 17.684 17.5454 9.40383 8.73533 numMergedOcc 0
51 mol 186 unq 2 iso 0 dist 9.09754 6.85302 4.37002 5.74635 10.7914 7.20574 11.456 12.4091 8.58039 6.61112 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.22356 8.65997 5.4694 5.23634 5.0317 7.3164 6.91318 numMergedOcc 0
53 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 5.22356 7.22101 8.38865 6.91318 5.0317 7.3164 5.23634 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 7.09863 8.38865 12.9587 5.22356 10.8157 5.4694 5.23634 5.83175 7.3164 6.91318 numMergedOcc 0
55 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 7.0298 11.7165 5.77318 7.27993 5.70473 6.93188 6.95201 numMergedOcc 0
56 mol 229 unq 1 iso 0 dist 7.03423 8.92743 9.62106 7.0298 11.4362 5.77318 7.27993 7.22525 6.93188 6.95201 numMergedOcc 0
57 mol 229 unq 2 iso 0 dist 9.87838 5.77318 7.7339 7.0298 11.6115 8.92743 6.95201 4.61227 6.93188 7.27993 numMergedOcc 0
58 mol 234 unq 0 iso 0 dist 8.34494 8.24186 11.7705 5.88703 12.9605 7.5366 11.6391 14.898 11.0592 7.81215 numMergedOcc 0
59 mol 234 unq 1 iso 0 dist 6.56247 8.24186 5.63086 5.88703 9.45496 7.5366 11.6391 12.4252 11.0592 7.81215 numMergedOcc 0
60 mol 234 unq 2 iso 0 dist 9.36357 8.24186 5.6819 5.88703 6.7625 7.5366 11.6391 5.75498 11.0592 7.81215 numMergedOcc 0
61 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 10.1648 12.8711 6.4398 12.7605 17.2864 6.22195 8.82351 numMergedOcc 0
62 mol 238 unq 1 iso 0 dist 6.22714 5.64181 10.216 6.85126 12.6642 7.61393 13.3867 18.3429 9.9447 9.06592 numMergedOcc 0
63 mol 238 unq 2 iso 0 dist 7.31233 5.64181 7.83352 6.85126 13.1583 7.61393 13.3867 16.2442 9.9447 9.06592 numMergedOcc 0
64 mol 248 unq 0 iso 0 dist 7.21521 9.77666 5.99459 5.55137 7.69895 6.17052 9.33962 4.58289 7.14182 9.05018 numMergedOcc 0
65 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 9.98105 12.0576 8.59697 11.7465 10.282 4.67584 8.03219 numMergedOcc 0
66 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 9.98105 12.0576 8.59697 5.85442 10.067 7.32929 6.9899 numMergedOcc 0
67 mol 259 unq 2 iso 0 dist 5.30224 8.59697 7.31951 9.98105 11.858 8.55558 6.9899 7.09907 7.32929 5.85442 numMergedOcc 0
68 mol 259 unq 3 iso 0 dist 5.30224 8.59697 7.31951 9.98105 11.858 8.55558 10.4017 9.71793 9.55426 6.95511 numMergedOcc 0
69 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 4.92077 13.4025 6.04162 8.29262 10.7813 5.82131 9.19754 numMergedOcc 0
