0 mol 25 unq 0 iso 0 dist 6.69002 8.00875 5.99176 11.8565 6.85556 7.11047 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.69002 8.9954 6.98583 11.8565 6.85556 10.7715 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 4.94406 6.62867 7.67564 6.83826 5.78706 4.04716 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 4.94406 6.62867 7.67564 5.0289 7.23884 8.87226 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 4.94406 6.62867 7.67564 9.94628 5.59328 13.0429 numMergedOcc 0
5 mol 98 unq 3 iso 0 dist 4.94406 6.62867 7.67564 7.53156 7.5242 13.699 numMergedOcc 0
6 mol 98 unq 4 iso 0 dist 4.94406 11.2334 8.60103 6.83826 5.78706 4.75433 numMergedOcc 0
7 mol 98 unq 5 iso 0 dist 4.94406 11.2334 8.60103 5.0289 7.23884 10.9049 numMergedOcc 0
8 mol 98 unq 6 iso 0 dist 4.94406 11.2334 8.60103 9.94628 5.59328 11.5098 numMergedOcc 0
9 mol 98 unq 7 iso 0 dist 4.94406 11.2334 8.60103 7.53156 7.5242 15.8069 numMergedOcc 0
10 mol 98 unq 8 iso 0 dist 7.2337 12.7928 7.67564 9.30656 5.78706 4.04716 numMergedOcc 0
11 mol 98 unq 9 iso 0 dist 7.2337 12.7928 7.67564 12.1337 7.23884 8.87226 numMergedOcc 0
12 mol 98 unq 10 iso 0 dist 7.2337 12.7928 7.67564 5.39087 5.59328 13.0429 numMergedOcc 0
13 mol 98 unq 11 iso 0 dist 7.2337 12.7928 7.67564 12.2431 7.5242 13.699 numMergedOcc 0
14 mol 98 unq 12 iso 0 dist 7.2337 7.89992 8.60103 9.30656 5.78706 4.75433 numMergedOcc 0
15 mol 98 unq 13 iso 0 dist 7.2337 7.89992 8.60103 12.1337 7.23884 10.9049 numMergedOcc 0
16 mol 98 unq 14 iso 0 dist 7.2337 7.89992 8.60103 5.39087 5.59328 11.5098 numMergedOcc 0
17 mol 98 unq 15 iso 0 dist 7.2337 7.89992 8.60103 12.2431 7.5242 15.8069 numMergedOcc 0
18 mol 125 unq 0 iso 0 dist 9.2657 15.509 8.74577 9.67381 9.08382 11.9415 numMergedOcc 0
19 mol 125 unq 1 iso 0 dist 9.2657 15.509 8.74577 9.19339 9.3778 15.2717 numMergedOcc 0
20 mol 125 unq 2 iso 0 dist 9.2657 15.509 8.74577 6.92879 7.47069 9.71964 numMergedOcc 0
21 mol 125 unq 3 iso 0 dist 9.2657 18.0039 9.7728 9.67381 9.08382 13.0245 numMergedOcc 0
22 mol 125 unq 4 iso 0 dist 9.2657 18.0039 9.7728 9.19339 9.3778 15.5695 numMergedOcc 0
23 mol 125 unq 5 iso 0 dist 9.2657 18.0039 9.7728 6.92879 7.47069 13.3502 numMergedOcc 0
24 mol 125 unq 6 iso 0 dist 9.2657 4.77979 6.75122 9.67381 9.08382 5.14447 numMergedOcc 0
25 mol 125 unq 7 iso 0 dist 9.2657 4.77979 6.75122 9.19339 9.3778 6.10523 numMergedOcc 0
26 mol 125 unq 8 iso 0 dist 9.2657 4.77979 6.75122 6.92879 7.47069 5.87414 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 9.86237 7.12885 6.52844 12.2044 6.28565 6.13737 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 8.35864 13.3661 5.66405 10.4653 9.97343 13.0477 numMergedOcc 0
29 mol 141 unq 1 iso 0 dist 8.35864 13.3661 5.66405 15.1845 9.70413 6.64386 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 8.32227 4.68339 5.13522 9.67236 8.61587 10.6289 numMergedOcc 0
31 mol 162 unq 0 iso 0 dist 9.25835 5.5542 5.99212 6.71523 6.45896 5.00649 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 6.66608 5.15002 8.77781 11.067 9.39829 13.9725 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 6.66608 5.15002 8.77781 5.16386 6.41453 5.32364 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 9.05637 5.15991 4.54224 6.24624 6.59716 6.29733 numMergedOcc 0
35 mol 249 unq 0 iso 0 dist 4.68783 8.77577 9.58168 9.82483 5.48118 12.8314 numMergedOcc 0
36 mol 249 unq 1 iso 0 dist 4.68783 8.77577 9.58168 9.54906 7.25858 11.6796 numMergedOcc 0
37 mol 265 unq 0 iso 0 dist 7.49913 14.4383 9.68583 5.56416 6.71375 12.9199 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 9.46421 12.4883 9.5144 7.70348 9.88863 15.5391 numMergedOcc 0
