0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99459 6.88805 8.0744 12.8323 9.87885 8.15894 12.8006 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99459 6.88805 11.7002 12.8323 9.87885 8.45544 12.8006 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 9.67164 13.156 8.0744 7.12508 6.1206 8.15894 12.8006 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 8.09311 11.6226 9.94429 5.11636 7.95042 8.24948 12.6165 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 9.05357 13.1949 6.88355 5.11636 7.95042 8.24948 12.7305 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.38394 6.72502 6.59374 8.09311 6.17155 9.94429 5.11636 10.9819 8.24948 12.6165 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.38394 6.72502 6.59374 9.05357 10.3122 6.88355 5.11636 10.9819 8.24948 12.7305 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 6.75943 4.96926 4.55347 5.07458 6.66407 7.24352 8.34145 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 6.66407 5.07458 4.69849 4.96926 6.75943 7.15901 8.34145 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 10.8828 10.0168 7.24352 8.34145 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 6.20293 8.60739 9.06158 6.75943 5.41726 4.55347 5.07458 10.0168 7.24352 8.34145 numMergedOcc 0
11 mol 43 unq 4 iso 0 dist 8.93915 8.60739 11.3891 6.75943 10.0383 4.55347 5.07458 10.9975 7.24352 8.34145 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 7.17396 8.64015 11.0904 6.56212 7.31539 4.88345 6.08003 12.4823 7.17026 8.66724 numMergedOcc 0
13 mol 59 unq 1 iso 0 dist 9.21998 8.64015 12.9211 6.56212 11.1607 4.88345 6.08003 13.2239 7.17026 8.66724 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 7.69765 10.3209 7.27912 5.03039 6.04595 8.4965 10.9431 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 7.30858 5.72642 5.61704 9.42082 15.3161 10.5109 5.03039 6.04595 8.4965 14.3113 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 5.83991 5.72642 6.4497 7.69765 4.48636 7.27912 5.03039 10.5599 8.4965 10.9431 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 5.83991 5.72642 6.4497 9.42082 6.63111 10.5109 5.03039 10.5599 8.4965 14.3113 numMergedOcc 0
18 mol 115 unq 4 iso 0 dist 7.88312 5.72642 7.3094 7.69765 11.835 7.27912 5.03039 11.8378 8.4965 10.9431 numMergedOcc 0
19 mol 115 unq 5 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 5.03039 11.8378 8.4965 14.3113 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 8.70949 8.33077 5.97111 6.93139 4.97996 6.76477 7.21225 10.4778 6.5739 7.5573 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 7.21868 8.06642 4.935 16.4114 14.3561 8.48313 12.2382 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 7.21868 8.06642 4.935 12.8086 11.0808 6.99345 11.2397 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 8.94367 8.20836 9.4027 7.21868 8.06642 4.935 7.41373 9.33094 5.11043 8.62504 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 7.21868 4.00092 4.935 16.4114 9.71716 8.48313 12.2382 numMergedOcc 0
25 mol 134 unq 4 iso 0 dist 9.86662 8.20836 5.12325 7.21868 4.00092 4.935 12.8086 9.1998 6.99345 11.2397 numMergedOcc 0
26 mol 134 unq 5 iso 0 dist 9.86662 8.20836 5.12325 7.21868 4.00092 4.935 7.41373 8.69531 5.11043 8.62504 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 5.99315 7.25673 9.23795 7.36975 13.1926 9.30534 4.78563 5.37047 8.612 9.94557 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 5.99315 7.25673 9.23795 5.40637 7.39837 6.78032 4.78563 5.37047 8.612 9.29944 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 6.70693 4.94983 4.71678 9.84297 10.4285 6.92726 10.4667 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 12.4535 14.437 6.92726 10.4667 numMergedOcc 0
31 mol 152 unq 2 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 12.4535 14.437 6.92726 13.6351 numMergedOcc 0
32 mol 152 unq 3 iso 0 dist 6.70283 8.28642 9.35627 6.70693 5.39112 4.71678 9.84297 14.437 6.92726 10.4667 numMergedOcc 0
33 mol 152 unq 4 iso 0 dist 8.67331 8.28642 11.2078 6.70693 9.67475 4.71678 9.84297 15.2732 6.92726 10.4667 numMergedOcc 0
34 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 9.11204 8.44333 7.79894 6.42973 7.06025 8.25282 9.32938 numMergedOcc 0
35 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 9.11204 6.8202 7.79894 6.42973 10.0638 8.25282 9.32938 numMergedOcc 0
36 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 9.11204 14.9499 7.79894 6.42973 13.2692 8.25282 9.32938 numMergedOcc 0
37 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 9.11204 14.2467 7.79894 6.42973 15.0672 8.25282 9.32938 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 4.1511 9.91384 5.28771 6.09335 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 4.69247 9.91384 5.28771 6.09335 numMergedOcc 0
40 mol 227 unq 2 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 4.1511 10.3016 5.28771 6.09335 numMergedOcc 0
41 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 7.27993 5.70473 6.93188 11.0437 16.8558 6.42694 12.4584 numMergedOcc 0
42 mol 229 unq 1 iso 0 dist 8.22528 8.92743 11.6847 7.27993 5.70473 6.93188 11.9989 16.8118 7.63917 11.5308 numMergedOcc 0
43 mol 229 unq 2 iso 0 dist 7.03423 8.92743 9.62106 7.27993 7.22525 6.93188 11.0437 14.0816 6.42694 12.4584 numMergedOcc 0
44 mol 229 unq 3 iso 0 dist 7.03423 8.92743 9.62106 7.27993 7.22525 6.93188 11.9989 16.0361 7.63917 11.5308 numMergedOcc 0
45 mol 229 unq 4 iso 0 dist 9.87838 5.77318 7.7339 6.95201 4.61227 6.93188 7.46815 14.0538 6.42694 12.4584 numMergedOcc 0
46 mol 229 unq 5 iso 0 dist 9.87838 5.77318 7.7339 6.95201 4.61227 6.93188 5.37687 12.9844 7.63917 11.5308 numMergedOcc 0
47 mol 236 unq 0 iso 0 dist 9.81562 8.50331 7.22918 9.3206 4.27181 5.59363 11.5307 16.0783 9.14068 13.9166 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 7.68742 8.50331 9.05842 9.3206 4.89609 5.59363 11.5307 16.07 9.14068 13.9166 numMergedOcc 0
49 mol 236 unq 2 iso 0 dist 6.27581 8.50331 7.00028 9.3206 10.5774 5.59363 11.5307 10.0129 9.14068 13.9166 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 8.29262 10.7813 5.82131 13.2035 19.5824 7.14086 9.78237 numMergedOcc 0
