0 mol 7 unq 0 iso 0 dist 8.41585 5.99459 6.88805 12.2041 10.5461 9.67164 7.88043 10.2446 8.0744 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.67164 13.156 12.2041 12.2333 5.99459 5.72491 5.44992 8.0744 7.88043 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.67164 13.156 12.2041 12.2333 5.99459 9.67579 4.74523 11.7002 8.80762 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.62879 9.01112 7.12261 10.9495 10.9634 6.56356 13.6835 9.99764 4.69349 7.92414 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 9.62879 9.01112 7.12261 10.9495 10.9634 6.56356 10.6335 7.43529 8.64248 6.82379 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 10.9391 11.9561 9.48085 17.3821 17.9006 13.7717 6.90155 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 16.357 15.572 11.7199 6.6492 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 16.357 16.7731 11.7199 6.6492 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 5.73819 6.75943 4.96926 8.13395 10.5523 6.6263 8.60739 5.64171 4.55347 9.93832 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.80331 6.6263 5.41726 8.13395 6.20293 6.75943 9.93832 9.06158 4.55347 8.60739 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 6.20293 6.75943 5.41726 8.13395 8.80331 6.6263 8.60739 9.06158 4.55347 9.93832 numMergedOcc 0
11 mol 43 unq 3 iso 0 dist 8.93915 6.75943 10.0383 8.13395 14.7803 6.6263 8.60739 11.3891 4.55347 9.93832 numMergedOcc 0
12 mol 60 unq 0 iso 0 dist 6.65595 7.57295 7.80499 5.67502 11.1899 8.4312 10.0962 13.0114 5.71764 7.55695 numMergedOcc 0
13 mol 60 unq 1 iso 0 dist 6.65595 7.57295 7.80499 6.54743 8.90863 7.48086 10.0962 13.0114 5.71764 8.82176 numMergedOcc 0
14 mol 60 unq 2 iso 0 dist 8.90863 7.48086 7.80499 5.00018 11.1899 8.4312 8.82176 13.0114 5.71764 7.55695 numMergedOcc 0
15 mol 60 unq 3 iso 0 dist 9.25011 7.57295 5.6397 5.67502 12.4656 8.4312 10.0962 11.343 5.71764 7.55695 numMergedOcc 0
16 mol 60 unq 4 iso 0 dist 9.25011 7.57295 5.6397 6.54743 10.0828 7.48086 10.0962 11.343 5.71764 8.82176 numMergedOcc 0
17 mol 60 unq 5 iso 0 dist 6.43294 7.57295 8.62476 5.67502 8.7531 8.4312 10.0962 9.62257 5.71764 7.55695 numMergedOcc 0
18 mol 60 unq 6 iso 0 dist 6.43294 7.57295 8.62476 6.54743 11.5843 7.48086 10.0962 9.62257 5.71764 8.82176 numMergedOcc 0
19 mol 60 unq 7 iso 0 dist 8.7531 8.4312 8.62476 5.00018 11.5843 7.48086 7.55695 9.62257 5.71764 8.82176 numMergedOcc 0
20 mol 60 unq 8 iso 0 dist 8.52121 7.57295 6.55502 5.67502 11.6311 8.4312 10.0962 9.79058 5.71764 7.55695 numMergedOcc 0
21 mol 60 unq 9 iso 0 dist 8.52121 7.57295 6.55502 6.54743 12.4757 7.48086 10.0962 9.79058 5.71764 8.82176 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 5.4148 10.2049 7.4369 7.04044 15.7304 7.8972 8.73253 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 9.96396 9.73086 5.70116 5.4148 6.19304 7.4369 7.04044 8.26458 7.8972 8.73253 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 6.19304 7.4369 5.70116 5.4148 9.96396 9.73086 8.73253 8.26458 7.8972 7.04044 numMergedOcc 0
25 mol 73 unq 3 iso 0 dist 8.70481 5.5087 11.2069 8.07446 16.0098 5.61588 8.85586 14.8866 5.50891 5.16364 numMergedOcc 0
26 mol 73 unq 4 iso 0 dist 8.70481 6.08682 10.6713 8.07446 16.0098 7.83244 8.85586 14.8866 4.75954 5.16364 numMergedOcc 0
27 mol 73 unq 5 iso 0 dist 9.75218 9.73086 14.844 5.4148 11.6369 7.4369 7.04044 8.35241 7.8972 8.73253 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 7.34473 7.86666 13.0886 17.2949 21.5605 9.77497 15.7097 18.2311 9.03468 8.67766 numMergedOcc 0
29 mol 109 unq 1 iso 0 dist 8.69985 8.52024 5.00433 7.15843 13.1098 9.89083 13.8663 15.9335 11.0597 8.0831 numMergedOcc 0
30 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 4.8896 11.5121 9.02706 6.47042 10.0814 8.90959 6.78038 numMergedOcc 0
31 mol 112 unq 1 iso 0 dist 7.71338 8.0427 7.57713 4.8896 11.5121 9.39168 6.47042 10.0814 4.4941 6.78038 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 9.33865 6.39384 6.63111 7.69052 5.83991 9.42082 10.9734 6.4497 10.5109 5.72642 numMergedOcc 0
33 mol 115 unq 1 iso 0 dist 6.11741 6.39384 6.07067 7.69052 7.88312 9.42082 10.9734 7.3094 10.5109 5.72642 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 4.85907 10.3704 6.99446 8.56342 4.91132 6.29394 7.99857 numMergedOcc 0
35 mol 119 unq 1 iso 0 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 7.99857 7.61939 6.29394 8.56342 numMergedOcc 0
36 mol 119 unq 2 iso 0 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 10.4631 14.8299 9.64502 6.37542 numMergedOcc 0
37 mol 119 unq 3 iso 0 dist 6.18601 8.95212 4.39676 10.9871 10.1813 6.99446 14.6439 10.326 6.29394 7.99857 numMergedOcc 0
38 mol 119 unq 4 iso 0 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 14.6439 10.326 6.29394 8.56342 numMergedOcc 0
39 mol 119 unq 5 iso 0 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 12.8836 11.0351 9.64502 6.37542 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 5.62899 11.7385 9.66543 8.20836 9.4027 4.935 7.36779 numMergedOcc 0
41 mol 134 unq 1 iso 0 dist 6.37586 7.93372 8.06642 10.7144 11.7385 9.66543 10.873 9.4027 4.935 7.36779 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 6.37586 7.93372 8.06642 5.49782 8.94367 7.21868 10.873 9.4027 4.935 8.20836 numMergedOcc 0
43 mol 134 unq 3 iso 0 dist 9.86662 7.21868 4.00092 5.62899 11.3835 9.66543 8.20836 5.12325 4.935 7.36779 numMergedOcc 0
44 mol 134 unq 4 iso 0 dist 9.71307 7.93372 4.00092 10.7144 11.3835 9.66543 10.873 5.12325 4.935 7.36779 numMergedOcc 0
45 mol 134 unq 5 iso 0 dist 9.71307 7.93372 4.00092 5.49782 9.86662 7.21868 10.873 5.12325 4.935 8.20836 numMergedOcc 0
46 mol 142 unq 0 iso 0 dist 5.31024 6.14151 4.67662 5.32922 9.2313 7.81207 12.432 12.6057 9.38687 9.17106 numMergedOcc 0
47 mol 142 unq 1 iso 0 dist 7.26382 6.14151 5.81599 5.32922 7.73169 7.81207 12.432 8.38032 9.38687 9.17106 numMergedOcc 0
48 mol 152 unq 0 iso 0 dist 5.87555 6.70693 4.94983 7.65448 10.399 6.59889 8.28642 5.70788 4.71678 9.77552 numMergedOcc 0
49 mol 152 unq 1 iso 0 dist 8.56324 6.59889 5.39112 7.65448 6.70283 6.70693 9.77552 9.35627 4.71678 8.28642 numMergedOcc 0
50 mol 152 unq 2 iso 0 dist 6.70283 6.70693 5.39112 7.65448 8.56324 6.59889 8.28642 9.35627 4.71678 9.77552 numMergedOcc 0
51 mol 152 unq 3 iso 0 dist 8.67331 6.70693 9.67475 7.65448 14.1618 6.59889 8.28642 11.2078 4.71678 9.77552 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 8.38865 11.0628 7.3164 5.4694 numMergedOcc 0
53 mol 227 unq 1 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 5.4694 11.0628 7.3164 8.38865 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 8.38865 12.9587 7.3164 5.4694 numMergedOcc 0
55 mol 229 unq 0 iso 0 dist 8.22528 7.27993 5.70473 7.0298 11.7165 6.95201 8.92743 11.6847 6.93188 5.77318 numMergedOcc 0
56 mol 229 unq 1 iso 0 dist 7.03423 7.27993 7.22525 7.0298 11.4362 6.95201 8.92743 9.62106 6.93188 5.77318 numMergedOcc 0
57 mol 229 unq 2 iso 0 dist 9.87838 6.95201 4.61227 7.0298 11.6115 7.27993 5.77318 7.7339 6.93188 8.92743 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 6.22714 9.08509 12.7938 10.1813 11.0896 6.99888 11.9624 13.0113 5.63944 5.52379 numMergedOcc 0
59 mol 238 unq 1 iso 0 dist 7.31233 9.12776 10.3162 15.7907 19.5656 9.72188 17.2012 20.9702 13.0611 7.32982 numMergedOcc 0
60 mol 238 unq 2 iso 0 dist 7.31233 9.08509 11.0772 10.1813 11.5794 6.99888 11.9624 11.0349 5.63944 5.52379 numMergedOcc 0
61 mol 259 unq 0 iso 0 dist 8.13497 9.46361 12.2293 6.96053 10.3935 6.95511 10.5803 6.1686 9.55426 8.55558 numMergedOcc 0
62 mol 259 unq 1 iso 0 dist 7.88519 9.46361 11.6988 6.96053 7.46176 6.95511 10.5803 5.60748 9.55426 8.55558 numMergedOcc 0
63 mol 259 unq 2 iso 0 dist 7.46176 5.85442 10.067 9.98105 12.0576 6.9899 8.55558 5.60748 7.32929 8.59697 numMergedOcc 0
64 mol 259 unq 3 iso 0 dist 5.30224 6.9899 7.09907 9.98105 11.858 5.85442 8.59697 7.31951 7.32929 8.55558 numMergedOcc 0
65 mol 264 unq 0 iso 0 dist 9.17653 8.29262 10.7813 4.92077 13.4025 9.19754 6.14323 13.0621 5.82131 6.04162 numMergedOcc 0
66 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 11.8268 21.4606 9.57499 12.7237 20.9011 14.6871 6.57903 numMergedOcc 0
