0 mol 7 unq 0 iso 0 dist 5.80034 14.8431 9.85726 14.3344 11.5784 9.60499 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.83056 13.9585 7.21217 8.88982 6.09254 7.10621 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.87317 11.9718 6.87871 15.0301 8.95909 9.24927 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.93406 7.71984 7.84983 9.74058 11.5882 6.62496 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.93406 4.67517 9.56737 9.74058 11.5882 6.35756 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 5.38954 5.17524 7.70533 9.60425 6.29427 9.84395 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 5.38954 5.17524 7.70533 12.6233 14.3476 7.90328 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.78409 11.3174 8.40046 8.09965 9.75166 9.30299 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.12739 6.87887 5.08206 15.3581 12.1783 9.0018 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 8.12739 6.87887 5.08206 12.4121 7.28617 5.6234 numMergedOcc 0
10 mol 175 unq 2 iso 0 dist 8.12739 6.87887 5.08206 12.1014 5.77256 6.57069 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 9.56963 16.8486 8.0974 19.6153 12.2822 6.69288 numMergedOcc 0
12 mol 178 unq 1 iso 0 dist 9.56963 16.8486 8.0974 21.2844 12.4338 6.43573 numMergedOcc 0
13 mol 178 unq 2 iso 0 dist 9.56963 16.8486 8.0974 22.6421 13.9722 7.17202 numMergedOcc 0
14 mol 178 unq 3 iso 0 dist 9.56963 16.8486 8.0974 22.7133 13.5599 8.81551 numMergedOcc 0
15 mol 178 unq 4 iso 0 dist 5.95885 11.6817 8.0974 14.2652 12.2822 6.69288 numMergedOcc 0
16 mol 178 unq 5 iso 0 dist 5.95885 11.6817 8.0974 16.3683 12.4338 6.43573 numMergedOcc 0
17 mol 178 unq 6 iso 0 dist 5.95885 11.6817 8.0974 17.7618 13.9722 7.17202 numMergedOcc 0
18 mol 178 unq 7 iso 0 dist 5.95885 11.6817 8.0974 18.5814 13.5599 8.81551 numMergedOcc 0
19 mol 188 unq 0 iso 0 dist 5.4981 4.57422 6.02561 10.943 5.5682 9.96154 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.9678 9.7129 8.43584 14.3702 12.4616 9.61492 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 7.9678 9.7129 8.43584 15.8612 10.6123 7.45763 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 8.14413 5.06314 9.67457 7.86668 5.82028 6.18308 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 9.47309 10.5254 6.56437 12.3857 14.2632 8.95269 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.5831 11.5103 5.89084 10.2233 4.74041 6.56247 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 9.5831 11.5103 5.89084 4.91961 6.16697 9.45496 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 9.5831 4.98993 8.47009 10.2233 4.74041 9.36357 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 9.5831 4.98993 8.47009 4.91961 6.16697 6.7625 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 5.59164 5.77573 6.83152 12.0065 10.8336 6.57393 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 5.59164 4.67735 5.24313 11.3347 12.1448 7.31233 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 6.86905 5.88384 5.56719 10.7019 5.96552 5.72887 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 5.62744 9.00069 6.37342 6.92721 5.29737 6.16342 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 6.80314 6.00666 7.66519 10.899 6.42363 9.56569 numMergedOcc 0
33 mol 249 unq 0 iso 0 dist 8.9281 12.6924 7.29898 14.9867 6.6173 7.57994 numMergedOcc 0
34 mol 249 unq 1 iso 0 dist 8.9281 12.6924 7.29898 15.3551 8.95486 6.18582 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.8726 6.60345 8.58088 11.1218 10.221 6.60405 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 8.8726 6.60345 8.58088 5.31858 9.22664 6.42289 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 5.72197 4.36798 5.67266 10.5849 9.63727 8.04483 numMergedOcc 0
38 mol 282 unq 1 iso 0 dist 5.72197 4.36798 5.67266 7.34596 4.58403 8.76532 numMergedOcc 0
39 mol 282 unq 2 iso 0 dist 5.72197 4.36798 5.67266 7.12228 5.04235 6.33524 numMergedOcc 0
