0 mol 11 unq 0 iso 0 dist 9.64228 7.95375 8.21795 9.76481 11.2277 4.4678 16.1915 16.4214 13.6525 9.91523 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.9795 8.58689 5.83941 5.20528 9.29301 6.64001 6.53227 15.4008 14.0549 8.04853 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 9.9795 8.58689 5.83941 5.20528 9.29301 6.64001 3.93024 12.1279 8.87977 6.46549 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 9.9795 7.82214 5.46695 5.20528 9.29301 4.58085 6.53227 15.4008 12.1286 8.04853 numMergedOcc 0
4 mol 85 unq 3 iso 0 dist 9.9795 7.82214 5.46695 5.20528 9.29301 4.58085 3.93024 12.1279 9.43843 6.46549 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 6.44195 5.7306 4.66975 8.85675 10.0639 11.9741 5.71332 8.89394 10.5803 8.90588 numMergedOcc 0
6 mol 154 unq 1 iso 0 dist 7.34207 5.7306 9.20471 8.85675 5.27847 11.9741 5.71332 10.5628 10.5803 8.90588 numMergedOcc 0
7 mol 169 unq 0 iso 0 dist 6.28961 6.58855 4.19562 8.59976 10.3792 13.1373 15.445 14.7817 18.6035 7.85698 numMergedOcc 0
8 mol 169 unq 1 iso 0 dist 6.28961 6.58855 4.19562 8.59976 10.3792 13.1373 4.8357 10.9409 10.9471 8.75484 numMergedOcc 0
9 mol 169 unq 2 iso 0 dist 6.28961 6.58855 4.19562 9.71763 8.6888 12.3204 12.9917 9.37946 13.5154 5.41121 numMergedOcc 0
10 mol 169 unq 3 iso 0 dist 6.28961 6.58855 4.19562 9.71763 8.6888 12.3204 15.445 14.7817 18.6035 6.35799 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.0639 9.02321 5.04574 6.0685 7.94756 10.9995 4.59453 9.65093 10.6483 8.2241 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 6.91355 9.02321 11.8536 6.0685 7.02735 10.9995 4.59453 11.3524 10.6483 8.2241 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 7.70631 6.18166 4.91336 9.3055 7.16732 5.47413 5.15513 10.2521 9.10527 9.15715 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 9.25882 6.254 6.16939 6.32542 6.09749 8.16279 3.30102 8.26637 5.69652 5.59832 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 7.58097 8.57319 11.9372 5.88992 4.92696 9.12199 5.14513 11.9577 9.04156 8.4493 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 9.38793 7.89017 13.9139 7.64361 16.4697 6.17749 7.69413 16.8418 11.2469 6.23115 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 6.52188 8.89904 9.89602 9.35785 10.173 4.71431 12.2584 17.0144 10.4457 9.47429 numMergedOcc 0
