0 mol 46 unq 0 iso 0 dist 7.44944 7.12713 6.75911 8.08636 10.1202 5.81662 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.41265 6.45955 5.31518 5.1569 12.2502 9.50763 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.15006 9.94133 5.11766 4.39945 5.09725 9.64361 numMergedOcc 0
3 mol 154 unq 0 iso 0 dist 9.3164 5.55632 6.64725 4.57254 9.17333 8.50487 numMergedOcc 0
4 mol 176 unq 0 iso 0 dist 8.54812 5.23992 6.17405 9.95833 15.8555 9.81187 numMergedOcc 0
5 mol 176 unq 1 iso 0 dist 8.54812 5.23992 6.17405 3.97723 10.2404 4.67031 numMergedOcc 0
6 mol 176 unq 2 iso 0 dist 8.54812 5.23992 6.17405 6.09521 14.015 9.49412 numMergedOcc 0
7 mol 176 unq 3 iso 0 dist 8.54812 7.91974 7.37938 9.95833 15.8555 9.71347 numMergedOcc 0
8 mol 176 unq 4 iso 0 dist 8.54812 7.91974 7.37938 3.97723 10.2404 6.20326 numMergedOcc 0
9 mol 176 unq 5 iso 0 dist 8.54812 9.1617 10.5452 9.95833 15.8555 8.77405 numMergedOcc 0
10 mol 176 unq 6 iso 0 dist 8.54812 9.1617 10.5452 3.97723 10.2404 6.8243 numMergedOcc 0
11 mol 176 unq 7 iso 0 dist 9.44323 5.23992 11.5221 9.95833 16.6696 9.81187 numMergedOcc 0
12 mol 176 unq 8 iso 0 dist 9.44323 5.23992 11.5221 3.97723 11.9069 4.67031 numMergedOcc 0
13 mol 176 unq 9 iso 0 dist 9.44323 5.23992 11.5221 6.09521 13.9629 9.49412 numMergedOcc 0
14 mol 176 unq 10 iso 0 dist 9.44323 7.91974 14.3258 9.95833 16.6696 9.71347 numMergedOcc 0
15 mol 176 unq 11 iso 0 dist 9.44323 7.91974 14.3258 3.97723 11.9069 6.20326 numMergedOcc 0
16 mol 176 unq 12 iso 0 dist 9.44323 9.1617 12.9083 9.95833 16.6696 8.77405 numMergedOcc 0
17 mol 176 unq 13 iso 0 dist 9.44323 9.1617 12.9083 3.97723 11.9069 6.8243 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 7.59687 9.3032 15.5523 10.4172 17.414 4.55528 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 7.59687 9.3032 15.5523 13.6082 19.1633 6.88386 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 9.4691 8.34984 13.6897 5.52102 13.9539 8.58013 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 5.84481 5.06373 7.60413 4.29335 9.91812 5.2862 numMergedOcc 0
22 mol 284 unq 1 iso 0 dist 5.84481 5.06373 7.60413 6.24981 10.43 5.31097 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 6.75269 7.96707 5.73495 13.5162 12.971 9.03468 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 6.75269 7.96707 5.73495 5.22713 8.01428 6.05363 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 6.75269 7.96707 5.73495 13.5162 12.971 9.03468 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 6.75269 7.96707 5.73495 5.22713 8.01428 6.05363 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 6.75269 7.96707 5.73495 13.5162 12.971 9.03468 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 6.75269 7.96707 5.73495 5.22713 8.01428 6.05363 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 9.83069 9.14005 14.6314 14.7951 18.7519 8.81999 numMergedOcc 0
