0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 10.515 7.45262 8.81608 10.5461 10.2446 6.88805 6.36911 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.72491 9.67164 8.0744 10.515 7.45262 8.81608 7.10621 5.44992 13.156 9.36807 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.88043 5.99459 8.0744 6.06176 7.45262 8.81608 8.41585 10.2446 6.88805 6.36911 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.88043 5.99459 8.0744 6.06176 7.45262 8.81608 12.2333 5.44992 13.156 9.36807 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 8.80762 5.99459 11.7002 6.06176 6.96586 8.81608 8.41585 12.3097 6.88805 6.36911 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 8.80762 5.99459 11.7002 6.06176 6.96586 8.81608 12.2333 4.74523 13.156 9.36807 numMergedOcc 0
6 mol 18 unq 0 iso 0 dist 7.55766 5.65084 4.8604 7.04695 9.4753 5.04478 11.103 6.05366 6.11048 8.52106 numMergedOcc 0
7 mol 18 unq 1 iso 0 dist 7.55766 5.65084 4.8604 7.04695 9.4753 5.04478 9.94539 7.75843 4.52259 6.32451 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.72642 9.42082 10.5109 10.9739 14.0242 8.0168 5.83991 6.4497 6.63111 7.76729 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 6.35763 9.87025 6.13374 9.87172 7.61939 6.20019 6.19042 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.99857 6.99446 6.29394 6.35763 9.87025 6.13374 10.1813 10.326 4.39676 8.43904 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 14.5183 9.3046 14.443 7.39889 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 10.3704 4.91132 9.68677 9.63176 numMergedOcc 0
13 mol 119 unq 4 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 9.87172 7.61939 6.20019 7.44174 numMergedOcc 0
14 mol 119 unq 5 iso 0 dist 8.56342 7.64052 6.29394 10.0197 9.87025 6.13374 12.6489 7.61939 6.20019 6.19042 numMergedOcc 0
15 mol 119 unq 6 iso 0 dist 8.56342 7.64052 6.29394 10.0197 9.87025 6.13374 9.72413 10.326 4.39676 8.43904 numMergedOcc 0
16 mol 119 unq 7 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 16.7981 9.3046 14.443 7.39889 numMergedOcc 0
17 mol 119 unq 8 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 8.73993 4.91132 9.68677 9.63176 numMergedOcc 0
18 mol 119 unq 9 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 12.6489 7.61939 6.20019 7.44174 numMergedOcc 0
19 mol 119 unq 10 iso 0 dist 6.37542 7.64052 9.64502 10.0197 14.5497 6.13374 12.6489 14.8299 6.20019 6.19042 numMergedOcc 0
20 mol 119 unq 11 iso 0 dist 6.37542 7.64052 9.64502 10.0197 14.5497 6.13374 9.72413 11.0351 4.39676 8.43904 numMergedOcc 0
21 mol 119 unq 12 iso 0 dist 6.37542 7.64052 9.64502 10.6679 13.4689 9.08536 16.7981 17.3493 14.443 7.39889 numMergedOcc 0
22 mol 119 unq 13 iso 0 dist 6.37542 7.64052 9.64502 10.6679 13.4689 9.08536 8.73993 6.08167 9.68677 9.63176 numMergedOcc 0
23 mol 119 unq 14 iso 0 dist 6.37542 7.64052 9.64502 10.6679 13.4689 9.08536 12.6489 14.8299 6.20019 7.44174 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 8.41611 7.36975 9.05786 6.01455 13.143 7.05845 10.6877 14.1335 7.63293 7.31468 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 8.41611 7.36975 9.05786 6.01455 13.143 7.05845 12.7524 18.5152 11.903 7.7056 numMergedOcc 0
26 mol 143 unq 2 iso 0 dist 7.63338 7.36975 3.75378 6.01455 8.1582 7.05845 10.6877 6.41287 7.63293 7.31468 numMergedOcc 0
27 mol 143 unq 3 iso 0 dist 7.63338 7.36975 3.75378 6.01455 8.1582 7.05845 12.7524 11.488 11.903 7.7056 numMergedOcc 0
28 mol 143 unq 4 iso 0 dist 9.03707 7.36975 14.0356 6.01455 12.5074 7.05845 10.6877 13.6008 7.63293 7.31468 numMergedOcc 0
29 mol 143 unq 5 iso 0 dist 9.03707 7.36975 14.0356 6.01455 12.5074 7.05845 12.7524 15.2749 11.903 7.7056 numMergedOcc 0
30 mol 143 unq 6 iso 0 dist 7.25673 7.36975 9.30534 6.01455 7.88655 7.05845 10.6877 7.11704 7.63293 7.31468 numMergedOcc 0
31 mol 143 unq 7 iso 0 dist 7.25673 7.36975 9.30534 6.01455 7.88655 7.05845 12.7524 9.53139 11.903 7.7056 numMergedOcc 0
32 mol 184 unq 0 iso 0 dist 8.77887 6.73504 6.19242 6.47974 6.21206 7.59939 15.173 8.41716 13.8904 9.52936 numMergedOcc 0
33 mol 184 unq 1 iso 0 dist 8.77887 6.73504 6.19242 6.47974 6.21206 7.59939 13.8822 5.72305 10.3179 9.15417 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 6.38157 7.46481 5.73082 6.67959 5.10114 8.70987 8.85478 5.63388 11.1534 7.46831 numMergedOcc 0
35 mol 214 unq 1 iso 0 dist 6.38157 7.46481 5.73082 6.67959 5.10114 8.70987 11.9355 6.214 7.19184 8.60247 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 7.5366 7.81215 11.0592 5.56749 12.5852 9.11572 10.3625 17.8765 13.1872 6.16063 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 5.52379 6.99888 5.63944 5.54325 6.89694 5.43613 11.0896 13.0113 12.7938 7.49471 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 5.52379 6.99888 5.63944 5.54325 6.89694 5.43613 11.5794 11.0349 11.0772 7.19008 numMergedOcc 0
39 mol 238 unq 2 iso 0 dist 5.64181 9.08509 6.94907 5.17471 6.44735 5.43613 6.22714 10.216 12.7938 7.49471 numMergedOcc 0
40 mol 238 unq 3 iso 0 dist 5.64181 9.08509 6.94907 5.17471 6.44735 5.43613 7.31233 7.83352 11.0772 7.19008 numMergedOcc 0
41 mol 248 unq 0 iso 0 dist 6.17052 9.05018 7.14182 6.48757 8.53148 5.0345 7.69895 5.99459 4.58289 6.07192 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 5.79468 6.39918 6.23661 7.46176 5.60748 10.067 7.48005 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 8.55558 5.85442 7.32929 5.79468 6.39918 6.23661 11.858 7.31951 7.09907 8.37865 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 8.59697 8.03219 4.67584 5.31048 6.39918 8.84648 12.0576 5.60748 10.282 7.48005 numMergedOcc 0
45 mol 259 unq 3 iso 0 dist 8.59697 8.03219 4.67584 5.31048 6.39918 8.84648 5.30224 7.31951 4.04513 8.37865 numMergedOcc 0
46 mol 259 unq 4 iso 0 dist 8.59697 6.9899 7.32929 5.31048 6.39918 6.23661 12.0576 5.60748 10.067 7.48005 numMergedOcc 0
47 mol 259 unq 5 iso 0 dist 8.59697 6.9899 7.32929 5.31048 6.39918 6.23661 5.30224 7.31951 7.09907 8.37865 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 7.4099 6.4611 13.4431 5.31116 11.6675 6.66172 10.7806 15.3247 8.87855 9.19234 numMergedOcc 0
