0 mol 16 unq 0 iso 0 dist 6.84569 6.32814 8.41862 10.3524 6.70071 7.40724 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.46207 7.35595 8.82012 9.6643 15.2834 9.25649 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 7.46207 7.35595 8.82012 13.3573 14.0729 9.36104 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 7.51406 9.20028 9.16962 14.4709 17.7956 9.25649 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 7.51406 9.20028 9.16962 14.7942 15.23 9.36104 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 9.45639 6.82829 7.33969 14.9318 11.962 8.19733 numMergedOcc 0
6 mol 39 unq 1 iso 0 dist 5.00126 6.37567 7.33969 13.6741 11.962 8.19733 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 9.17045 10.9036 6.99408 11.1321 6.18811 7.95778 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 6.32012 5.19805 6.99408 10.7998 6.18811 7.95778 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 9.37094 13.9612 7.04352 10.399 4.85355 9.52877 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 9.37094 4.64762 8.1114 10.399 4.85355 8.82738 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 6.56728 8.46482 7.22293 13.6082 8.42713 8.87194 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 9.62866 11.5609 6.73814 11.5495 5.6074 8.11094 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.88255 10.06 9.63176 16.4092 12.7179 9.05798 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.88255 10.06 9.63176 10.4602 4.91132 5.85818 numMergedOcc 0
15 mol 140 unq 0 iso 0 dist 7.83582 14.4791 8.19104 18.1503 11.5685 8.06396 numMergedOcc 0
16 mol 140 unq 1 iso 0 dist 7.83582 14.4791 8.19104 16.4229 8.83949 8.01587 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 6.87299 5.16833 8.33261 11.7393 12.6979 7.01133 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 7.75394 6.06154 7.90031 11.5348 6.74772 8.15936 numMergedOcc 0
19 mol 198 unq 1 iso 0 dist 7.75394 4.83589 7.21533 11.5348 6.74772 8.16598 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 8.2088 7.85937 7.13323 16.2236 9.8301 9.67381 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 8.2088 7.85937 7.13323 13.1611 9.97783 6.61099 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 13.5057 10.5813 7.1372 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 6.06422 5.58989 5.38637 14.1251 11.1167 8.6597 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.61478 5.92575 8.96531 11.0457 7.69482 7.47235 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 5.67917 10.761 9.90142 14.5395 10.7508 6.92409 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 8.96639 12.8735 9.68513 14.5395 5.87253 9.47845 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 8.96639 10.761 5.9216 14.5395 5.87253 6.92409 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 4.87108 5.61491 7.49471 9.91577 13.0113 6.89694 numMergedOcc 0
29 mol 238 unq 6 iso 0 dist 4.87108 5.61491 7.49471 11.1268 10.216 6.44735 numMergedOcc 0
30 mol 238 unq 7 iso 0 dist 7.64276 13.9044 6.55759 11.1268 7.83352 8.6597 numMergedOcc 0
31 mol 238 unq 8 iso 0 dist 7.64276 13.3748 7.02475 11.1268 7.83352 7.47235 numMergedOcc 0
32 mol 238 unq 9 iso 0 dist 7.64276 11.6924 7.67322 9.91577 11.0349 7.61203 numMergedOcc 0
33 mol 238 unq 10 iso 0 dist 7.64276 5.61491 7.19008 9.91577 11.0349 6.89694 numMergedOcc 0
34 mol 238 unq 11 iso 0 dist 7.64276 5.61491 7.19008 11.1268 7.83352 6.44735 numMergedOcc 0
35 mol 238 unq 12 iso 0 dist 6.54455 6.74728 7.49471 13.0548 13.0113 6.89694 numMergedOcc 0
36 mol 238 unq 13 iso 0 dist 6.54455 6.74728 7.49471 10.4767 10.216 6.44735 numMergedOcc 0
37 mol 252 unq 0 iso 0 dist 7.93609 5.3935 7.66365 11.6409 9.32326 6.57207 numMergedOcc 0
38 mol 252 unq 1 iso 0 dist 7.93609 5.3935 7.66365 6.97105 5.89666 5.2361 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 8.57619 5.4536 8.37865 8.30744 7.31951 6.39918 numMergedOcc 0
40 mol 261 unq 0 iso 0 dist 6.82526 5.74092 7.47164 10.7186 6.04016 9.24121 numMergedOcc 0
41 mol 272 unq 0 iso 0 dist 7.31993 5.91451 6.16449 4.80092 4.86504 7.55161 numMergedOcc 0
42 mol 278 unq 0 iso 0 dist 8.83775 9.59763 6.35287 10.2559 6.54009 9.48589 numMergedOcc 0
