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 7 unq 3 iso 0 dist 7.10621 5.72491 5.44992 9.67164 13.156 8.0744 11.143 7.67927 11.7902 17.4215 numMergedOcc 0
4 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
5 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
6 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 11.6226 8.09311 10.8583 12.6165 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 13.1949 9.05357 14.2818 12.7305 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.52933 5.03027 7.41888 6.47509 7.05196 12.8378 11.842 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 6.55597 4.69295 8.89681 6.47509 7.05196 12.8378 8.07318 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 5.04899 6.6492 9.20601 9.71956 12.2542 6.97709 6.47509 7.05196 12.8378 13.5069 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 5.04899 6.6492 9.20601 7.07751 8.79309 5.5511 6.47509 7.05196 12.8378 10.9998 numMergedOcc 0
12 mol 25 unq 4 iso 0 dist 5.04899 6.6492 9.20601 8.23761 8.17061 4.38027 6.47509 7.05196 12.8378 13.599 numMergedOcc 0
13 mol 25 unq 5 iso 0 dist 5.04899 6.6492 9.20601 9.49421 13.6145 11.7199 6.47509 7.05196 12.8378 10.156 numMergedOcc 0
14 mol 25 unq 6 iso 0 dist 6.03987 5.81959 8.4666 7.6114 5.86705 11.4877 4.77954 7.99919 8.52777 10.8668 numMergedOcc 0
15 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
16 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
17 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 7.07971 4.69373 6.8409 5.00433 8.52024 9.78192 9.09348 numMergedOcc 0
18 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
19 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
20 mol 115 unq 2 iso 0 dist 5.83991 5.72642 6.4497 7.69765 4.48636 7.27912 6.01673 6.24825 10.6602 9.0534 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 5.83991 5.72642 6.4497 9.42082 6.63111 10.5109 6.01673 6.24825 10.6602 7.65564 numMergedOcc 0
22 mol 134 unq 0 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
23 mol 134 unq 1 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
24 mol 134 unq 2 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
25 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.36975 13.1926 9.05786 4.78563 5.37047 13.1913 9.94557 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 5.40637 7.39837 6.16103 4.78563 5.37047 13.1913 9.29944 numMergedOcc 0
27 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.36975 13.1926 3.75378 4.78563 5.37047 10.6706 9.94557 numMergedOcc 0
28 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 5.40637 7.39837 8.4697 4.78563 5.37047 10.6706 9.29944 numMergedOcc 0
29 mol 143 unq 4 iso 0 dist 5.99315 9.03707 7.76364 7.36975 13.1926 14.0356 4.78563 5.37047 10.8457 9.94557 numMergedOcc 0
30 mol 143 unq 5 iso 0 dist 5.99315 9.03707 7.76364 5.40637 7.39837 5.41614 4.78563 5.37047 10.8457 9.29944 numMergedOcc 0
31 mol 143 unq 6 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
32 mol 143 unq 7 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
33 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
34 mol 238 unq 0 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 10.3162 9.12776 12.1568 9.51483 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.85442 10.067 7.32929 5.21606 9.63573 12.8954 10.9441 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 5.85442 10.067 7.32929 11.8896 7.66153 13.1388 16.4118 numMergedOcc 0
37 mol 259 unq 2 iso 0 dist 7.46176 8.55558 5.60748 6.95511 11.6988 9.55426 5.21606 9.63573 12.8954 11.2395 numMergedOcc 0
38 mol 259 unq 3 iso 0 dist 7.46176 8.55558 5.60748 6.95511 11.6988 9.55426 11.8896 7.66153 13.1388 17.0531 numMergedOcc 0
