0 mol 8 unq 0 iso 0 dist 5.89089 7.32214 7.92414 8.10061 6.56356 4.69349 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 5.89089 6.32494 6.82379 8.10061 6.56356 8.64248 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.46842 5.85389 6.90155 5.03904 4.79873 6.86525 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.46842 5.85389 6.90155 16.8735 9.48085 13.7717 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 4.82342 4.54108 7.57959 6.15452 9.19165 5.29787 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 4.82342 6.98192 7.05737 6.15452 9.19165 5.26748 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 6.96797 11.1814 9.44459 4.4519 9.33906 10.7651 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 6.47132 3.97129 8.64015 6.13703 6.56212 4.88345 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.28058 11.8984 5.16364 15.8189 8.72682 5.56296 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 7.28058 11.8984 5.16364 9.77994 6.45841 6.69436 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.28058 11.8984 5.16364 10.8484 5.61588 5.50891 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 7.28058 11.8984 5.16364 14.7963 7.83244 4.75954 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 7.24378 7.63473 4.79949 8.52286 9.85905 11.0792 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 7.24378 5.23489 7.27693 8.52286 9.85905 6.48293 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 9.13413 5.56098 6.47042 11.7536 8.47988 8.90959 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 9.13413 5.56098 6.47042 5.8662 8.0427 4.4941 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 7.49404 10.7835 8.86329 7.08715 9.27976 5.30999 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 7.54454 5.36246 8.77887 6.63528 9.90822 6.88536 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 7.54454 5.36246 8.77887 3.75201 6.73504 6.19242 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.47189 9.40342 7.20574 6.7954 6.61112 8.58039 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 6.20985 8.93951 7.24795 5.74845 8.73533 9.40383 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 7.69466 5.99908 7.24795 5.60861 8.73533 9.40383 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 9.65951 13.1567 6.85441 4.51957 7.9133 9.54203 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 9.14829 13.1156 6.85441 9.9552 7.9133 9.54203 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.33638 13.6007 6.38157 10.2403 7.46481 5.73082 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 9.95084 8.06305 8.06216 13.8104 7.33709 7.4492 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 9.95084 12.0325 5.76954 13.8104 7.33709 6.57708 numMergedOcc 0
27 mol 218 unq 2 iso 0 dist 9.95084 9.24887 6.29511 13.8104 7.33709 13.4147 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 9.68636 7.82856 8.92743 9.76444 7.27993 6.93188 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 6.94983 10.971 7.83711 7.30782 6.71524 8.03712 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 7.17987 14.2602 7.5366 12.4759 7.81215 11.0592 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.09166 12.8393 5.64181 17.7087 9.08509 6.94907 numMergedOcc 0
32 mol 257 unq 0 iso 0 dist 6.44188 7.39014 9.69696 6.16483 7.81897 5.96144 numMergedOcc 0
33 mol 257 unq 1 iso 0 dist 5.13633 9.87316 9.69696 5.48725 7.81897 5.96144 numMergedOcc 0
34 mol 257 unq 2 iso 0 dist 6.50405 7.86233 9.95546 9.94726 8.83833 15.1307 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 9.89728 9.80192 8.55558 13.7396 5.85442 7.32929 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 9.89728 9.80192 8.55558 15.7491 6.95511 9.55426 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 6.66602 7.02897 6.42588 12.6107 9.58916 7.36132 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 8.43682 7.79077 6.04162 4.66338 9.19754 5.82131 numMergedOcc 0
39 mol 264 unq 2 iso 0 dist 6.20796 7.79077 6.14323 4.66338 8.29262 5.82131 numMergedOcc 0
40 mol 264 unq 3 iso 0 dist 7.73693 12.3382 6.14323 10.3972 8.29262 5.82131 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 5.22392 10.6266 6.57903 6.68571 9.57499 14.6871 numMergedOcc 0
