0 mol 15 unq 0 iso 0 dist 8.83891 6.3431 8.85174 4.96682 9.51568 6.67334 8.3794 5.20798 6.42748 6.50647 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 9.83555 10.3756 8.3733 15.3438 8.96498 10.331 9.71705 5.26394 11.6703 9.0008 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.55112 8.73236 8.13108 6.14439 9.4866 10.963 11.1286 10.1364 13.9633 7.03226 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 8.40389 5.0333 5.7144 10.7702 5.51885 6.95201 11.8114 4.08391 9.39063 5.79343 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.88752 10.9364 8.77023 14.4059 8.55349 9.53782 14.1386 11.4316 14.4764 7.41399 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.88752 10.9364 8.77023 14.4059 8.55349 9.53782 12.982 12.3375 12.7901 8.21165 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 8.88752 10.9364 8.77023 14.4059 8.55349 9.53782 9.14147 4.10674 11.8524 8.97945 numMergedOcc 0
7 mol 133 unq 3 iso 0 dist 8.88752 10.9364 8.77023 14.4059 8.55349 9.53782 14.9074 6.24625 10.9581 9.50664 numMergedOcc 0
8 mol 133 unq 4 iso 0 dist 8.88752 10.9364 8.77023 14.4059 8.55349 9.53782 14.2167 6.11861 12.5696 6.71555 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 4.73115 5.57177 5.35237 9.50813 6.57379 8.96357 8.86811 6.32315 11.2661 6.21403 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 4.73115 10.8108 7.99477 9.50813 6.57379 5.9915 8.86811 6.32315 11.2937 6.21403 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.73668 14.5913 6.42772 13.6923 6.44575 5.31077 17.8884 11.5269 12.1214 8.55616 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.73668 11.9734 9.1998 13.6923 6.44575 6.74887 17.8884 11.5269 9.94764 8.55616 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 8.73668 5.57177 8.70621 13.6923 6.44575 10.9715 17.8884 11.5269 15.049 8.55616 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.76579 5.74656 6.84752 12.3819 7.30954 7.69326 14.3972 5.95858 11.6896 7.80054 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 9.76579 11.2312 7.86563 12.3819 7.30954 9.46955 14.3972 5.95858 12.8466 7.80054 numMergedOcc 0
16 mol 167 unq 2 iso 0 dist 9.76579 6.67469 7.02548 12.3819 7.30954 6.36909 14.3972 5.95858 9.67741 7.80054 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 5.51167 10.9775 6.02086 7.08042 7.06851 8.67522 5.24076 4.02702 7.44629 7.60254 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 5.97971 10.8374 9.01624 5.20775 6.76746 6.7991 12.2628 11.9796 5.94469 7.05653 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 5.97971 4.62576 5.05973 5.20775 6.76746 8.35755 12.2628 11.9796 14.8638 7.05653 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 8.72747 11.9541 9.01624 8.17808 6.76746 6.7991 14.6112 11.9796 5.94469 7.05653 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 8.72747 4.80932 5.05973 8.17808 6.76746 8.35755 14.6112 11.9796 14.8638 7.05653 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 8.23845 8.672 9.01624 5.64849 6.76746 6.7991 11.2332 11.9796 5.94469 7.05653 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 8.23845 6.42223 5.05973 5.64849 6.76746 8.35755 11.2332 11.9796 14.8638 7.05653 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.34313 4.51031 6.35028 10.8816 6.0283 7.69081 13.4795 9.85432 13.337 9.24367 numMergedOcc 0
