0 mol 186 unq 0 iso 0 dist 9.35708 10.7753 5.31333 14.2497 5.27578 9.03587 4.92125 8.99777 12.2056 12.7357 numMergedOcc 0
1 mol 192 unq 0 iso 0 dist 8.82945 15.0721 8.86627 8.2928 5.77035 9.82173 5.81179 5.03588 9.70184 3.41605 numMergedOcc 0
2 mol 192 unq 1 iso 0 dist 8.82945 12.6382 9.10569 8.2928 5.77035 9.52963 5.81179 5.03588 8.12818 3.41605 numMergedOcc 0
3 mol 204 unq 0 iso 0 dist 6.58174 10.0944 8.40718 5.10199 5.81438 12.5259 10.816 8.77524 16.6893 5.80328 numMergedOcc 0
4 mol 225 unq 0 iso 0 dist 8.33143 10.8895 7.47852 5.30128 8.94981 11.1052 16.0567 7.78392 11.337 16.3069 numMergedOcc 0
5 mol 225 unq 1 iso 0 dist 8.33143 10.8895 7.47852 7.291 5.90986 3.60045 16.0567 7.78392 11.337 12.113 numMergedOcc 0
6 mol 225 unq 2 iso 0 dist 8.33143 10.8895 7.47852 15.2642 7.50697 10.6169 16.0567 7.78392 11.337 5.31124 numMergedOcc 0
7 mol 225 unq 3 iso 0 dist 8.33143 11.8099 6.22332 5.30128 8.94981 13.5289 16.0567 7.78392 7.99586 16.3069 numMergedOcc 0
8 mol 225 unq 4 iso 0 dist 8.33143 11.8099 6.22332 7.291 5.90986 6.40342 16.0567 7.78392 7.99586 12.113 numMergedOcc 0
9 mol 225 unq 5 iso 0 dist 8.33143 11.8099 6.22332 15.2642 7.50697 9.92088 16.0567 7.78392 7.99586 5.31124 numMergedOcc 0
10 mol 252 unq 0 iso 0 dist 8.88435 4.81381 8.99368 4.68897 9.52528 8.19502 13.5943 8.99666 10.0331 15.3449 numMergedOcc 0
11 mol 253 unq 0 iso 0 dist 7.76337 11.4879 8.32005 5.31043 8.59229 8.84052 4.6733 6.74521 7.03949 3.92688 numMergedOcc 0
12 mol 253 unq 1 iso 0 dist 7.76337 11.4879 8.32005 7.85081 7.33165 3.97177 4.6733 6.74521 7.03949 3.21986 numMergedOcc 0
13 mol 253 unq 2 iso 0 dist 7.76337 11.4879 8.32005 4.41719 9.66967 10.8314 4.6733 6.74521 7.03949 4.47943 numMergedOcc 0
14 mol 273 unq 0 iso 0 dist 7.29081 15.0113 9.80002 15.3556 8.66133 10.6534 10.2633 8.13393 14.1095 9.06868 numMergedOcc 0
15 mol 273 unq 1 iso 0 dist 7.29081 15.0113 9.80002 4.3735 6.95569 15.8245 10.2633 8.13393 14.1095 11.8515 numMergedOcc 0
16 mol 273 unq 2 iso 0 dist 7.29081 13.9951 6.73794 15.3556 8.66133 3.80794 10.2633 8.13393 10.5232 9.06868 numMergedOcc 0
17 mol 273 unq 3 iso 0 dist 7.29081 13.9951 6.73794 4.3735 6.95569 13.255 10.2633 8.13393 10.5232 11.8515 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 4.49395 9.78456 5.76796 7.14335 5.49829 9.11313 5.32175 7.08681 10.1123 8.34667 numMergedOcc 0
19 mol 285 unq 1 iso 0 dist 4.49395 9.78456 5.76796 7.14335 5.49829 9.11313 8.32005 4.95596 7.01472 8.31211 numMergedOcc 0
20 mol 285 unq 2 iso 0 dist 4.49395 9.78456 5.76796 7.14335 5.49829 9.11313 7.07384 6.3508 11.0045 8.08247 numMergedOcc 0
21 mol 285 unq 3 iso 0 dist 4.49395 9.78456 5.76796 7.14335 5.49829 9.11313 12.2276 8.3005 8.2602 7.23311 numMergedOcc 0
22 mol 285 unq 4 iso 0 dist 4.49395 9.78456 5.76796 7.67857 6.24134 6.01574 5.32175 7.08681 10.1123 4.98469 numMergedOcc 0
23 mol 285 unq 5 iso 0 dist 4.49395 9.78456 5.76796 7.67857 6.24134 6.01574 8.32005 4.95596 7.01472 10.5542 numMergedOcc 0
24 mol 285 unq 6 iso 0 dist 4.49395 9.78456 5.76796 7.67857 6.24134 6.01574 7.07384 6.3508 11.0045 12.5361 numMergedOcc 0
25 mol 285 unq 7 iso 0 dist 4.49395 9.78456 5.76796 7.67857 6.24134 6.01574 12.2276 8.3005 8.2602 11.9464 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.04841 6.06665 9.23896 7.22067 8.73403 5.42266 8.63376 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.04841 6.06665 9.23896 7.22067 8.73403 5.42266 8.63376 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.04841 6.06665 9.23896 7.22067 8.73403 5.42266 8.63376 numMergedOcc 0
