0 mol 12 unq 0 iso 0 dist 5.44478 4.13477 7.44542 5.70264 8.15864 4.60834 numMergedOcc 0
1 mol 35 unq 0 iso 0 dist 9.94008 12.2337 6.16132 8.04323 5.28675 4.50401 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 5.75102 13.2306 8.39608 12.2856 8.92529 3.91691 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 5.75102 8.95258 7.28815 12.2856 8.92529 10.1018 numMergedOcc 0
4 mol 71 unq 2 iso 0 dist 8.80254 15.0191 8.39608 14.1584 8.92529 3.91691 numMergedOcc 0
5 mol 71 unq 3 iso 0 dist 8.80254 5.91587 7.28815 14.1584 8.92529 10.1018 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.70106 10.6064 7.52954 5.40051 8.078 6.38538 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 8.70106 10.6064 7.52954 14.0531 6.56481 6.78021 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 5.68879 4.85533 9.34752 5.49967 5.2184 10.0813 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 5.68879 8.93999 8.41858 5.49967 5.2184 4.62337 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 6.31232 6.70976 9.7589 8.28232 7.18976 7.73112 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 9.10144 8.65247 7.16287 5.36829 6.94745 4.21327 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.46578 6.53566 5.9962 10.008 8.76088 5.9683 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 4.46578 4.77272 8.61448 10.008 8.76088 13.8877 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 9.58783 9.46815 9.60268 11.4343 9.11481 9.78459 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 9.58783 5.35061 8.79954 11.4343 9.11481 9.70858 numMergedOcc 0
16 mol 174 unq 0 iso 0 dist 9.14165 6.80369 4.77805 9.23787 7.27146 5.75017 numMergedOcc 0
17 mol 174 unq 1 iso 0 dist 9.14165 6.80369 4.77805 4.98201 6.25798 6.92858 numMergedOcc 0
18 mol 187 unq 0 iso 0 dist 5.26804 6.54244 5.82577 6.31943 5.58167 10.7172 numMergedOcc 0
19 mol 187 unq 1 iso 0 dist 5.26804 6.54244 5.82577 8.33762 8.0501 4.75665 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 7.72756 11.8734 8.57123 7.85975 9.38188 7.68439 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 7.5696 5.87489 8.40718 9.55695 6.20044 12.4189 numMergedOcc 0
22 mol 204 unq 2 iso 0 dist 7.5696 5.87489 8.40718 7.67211 8.41232 12.8445 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 7.6174 13.1272 7.54614 5.92917 8.74399 12.983 numMergedOcc 0
24 mol 246 unq 0 iso 0 dist 4.7583 6.59417 9.22642 4.50365 8.16617 4.72541 numMergedOcc 0
25 mol 246 unq 1 iso 0 dist 4.7583 6.38727 7.63397 4.50365 8.16617 6.06278 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 9.73318 12.8213 5.43868 4.11548 8.51703 9.96947 numMergedOcc 0
27 mol 250 unq 1 iso 0 dist 5.75551 12.8213 9.80833 4.11548 5.07895 9.96947 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 9.49732 12.8939 8.06908 14.4507 8.54422 5.99165 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 9.49732 12.8939 8.06908 10.4459 7.67473 4.78344 numMergedOcc 0
30 mol 276 unq 0 iso 0 dist 5.71066 12.7549 9.5388 6.62682 9.87655 17.4715 numMergedOcc 0
31 mol 276 unq 1 iso 0 dist 9.69468 10.5398 9.5388 11.3715 9.87655 17.4715 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 6.89455 10.1296 8.89292 9.33643 9.28067 4.02114 numMergedOcc 0
33 mol 283 unq 1 iso 0 dist 9.82337 10.1296 8.43009 9.33643 5.71075 4.02114 numMergedOcc 0
34 mol 283 unq 2 iso 0 dist 8.07626 9.38191 8.89292 6.76599 9.28067 4.02114 numMergedOcc 0
35 mol 283 unq 3 iso 0 dist 6.3448 9.38191 8.43009 6.76599 5.71075 4.02114 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 8.73607 6.2861 5.76796 8.87977 7.872 11.2606 numMergedOcc 0
37 mol 285 unq 1 iso 0 dist 8.73607 6.2861 5.76796 9.91326 6.32984 8.7778 numMergedOcc 0
38 mol 293 unq 0 iso 0 dist 6.02106 4.35498 7.67909 6.26633 7.41524 5.86662 numMergedOcc 0
39 mol 293 unq 1 iso 0 dist 8.27274 4.35498 6.83404 6.26633 6.42608 5.86662 numMergedOcc 0
