0 mol 4 unq 0 iso 0 dist 8.15534 12.7614 8.67981 5.69329 7.88748 9.6245 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 9.27422 8.33913 6.73481 5.61941 6.04161 3.97609 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 9.28075 6.4125 9.41952 5.55348 7.80026 10.4376 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 7.47105 7.0088 7.17051 6.43647 5.9959 3.75291 numMergedOcc 0
4 mol 139 unq 0 iso 0 dist 7.83417 4.71927 5.77343 5.21231 7.20542 4.37138 numMergedOcc 0
5 mol 155 unq 0 iso 0 dist 6.1274 5.10468 5.16143 4.33327 5.55218 5.05961 numMergedOcc 0
6 mol 155 unq 1 iso 0 dist 6.1274 6.30947 8.08392 4.33327 5.55218 5.68679 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 9.35708 10.7753 5.31333 14.2497 5.27578 9.03587 numMergedOcc 0
8 mol 187 unq 0 iso 0 dist 9.55621 10.2744 5.82577 11.4507 5.7938 5.93957 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 8.82945 15.0721 8.86627 8.2928 5.77035 9.82173 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 8.82945 12.6382 9.10569 8.2928 5.77035 9.52963 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 6.58174 10.0944 8.40718 5.10199 5.81438 12.5259 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.54443 8.10536 7.55333 11.0071 6.50586 3.69062 numMergedOcc 0
13 mol 215 unq 0 iso 0 dist 8.57913 7.11635 5.92204 5.25252 8.28951 3.522 numMergedOcc 0
14 mol 217 unq 0 iso 0 dist 7.70005 9.47932 8.80103 5.70815 8.98494 14.0701 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 8.33143 10.8895 7.47852 5.30128 8.94981 11.1052 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 8.33143 10.8895 7.47852 7.291 5.90986 3.60045 numMergedOcc 0
17 mol 225 unq 2 iso 0 dist 8.33143 10.8895 7.47852 15.2642 7.50697 10.6169 numMergedOcc 0
18 mol 225 unq 3 iso 0 dist 8.33143 11.8099 6.22332 5.30128 8.94981 13.5289 numMergedOcc 0
19 mol 225 unq 4 iso 0 dist 8.33143 11.8099 6.22332 7.291 5.90986 6.40342 numMergedOcc 0
20 mol 225 unq 5 iso 0 dist 8.33143 11.8099 6.22332 15.2642 7.50697 9.92088 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 6.3687 11.0907 7.54614 3.70516 8.31266 10.2945 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.4491 5.3238 8.93135 6.2985 8.31815 10.2069 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 8.88435 4.81381 8.99368 4.68897 9.52528 8.19502 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 7.76337 11.4879 8.32005 5.31043 8.59229 8.84052 numMergedOcc 0
25 mol 253 unq 1 iso 0 dist 7.76337 11.4879 8.32005 7.85081 7.33165 3.97177 numMergedOcc 0
26 mol 253 unq 2 iso 0 dist 7.76337 11.4879 8.32005 4.41719 9.66967 10.8314 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 9.46926 5.43882 9.33791 5.78744 8.62843 3.79641 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 7.29081 15.0113 9.80002 15.3556 8.66133 10.6534 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 7.29081 15.0113 9.80002 4.3735 6.95569 15.8245 numMergedOcc 0
30 mol 273 unq 2 iso 0 dist 7.29081 13.9951 6.73794 15.3556 8.66133 3.80794 numMergedOcc 0
31 mol 273 unq 3 iso 0 dist 7.29081 13.9951 6.73794 4.3735 6.95569 13.255 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 4.49395 9.78456 5.76796 7.14335 5.49829 9.11313 numMergedOcc 0
33 mol 285 unq 1 iso 0 dist 4.49395 9.78456 5.76796 7.67857 6.24134 6.01574 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.04841 6.06665 9.23896 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.04841 6.06665 9.23896 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.04841 6.06665 9.23896 numMergedOcc 0
