0 mol 25 unq 0 iso 0 dist 8.6396 8.40051 10.9391 16.5953 8.23292 17.4517 5.8503 5.04899 11.9561 12.4427 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.05508 9.00229 11.2395 6.07398 9.05547 14.8588 5.34079 6.85766 11.6226 6.34748 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 9.65047 8.69069 15.3836 15.0981 9.40559 22.7814 5.33325 7.27724 12.5309 13.018 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 9.65047 8.69069 15.3836 15.0981 9.40559 22.7814 5.69671 8.03644 11.659 11.8978 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.15985 7.53905 10.838 9.87475 5.81552 15.8477 6.68714 9.60462 11.438 10.626 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 7.15985 7.53905 10.838 9.87475 5.81552 15.8477 6.71889 7.45389 13.9719 5.27363 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 7.95871 9.80286 12.5968 11.703 9.56867 19.4832 4.86477 6.11741 9.55515 9.97256 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 7.95871 9.80286 12.5968 11.703 9.56867 19.4832 12.0354 7.88312 15.8031 7.64822 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 9.60411 9.92932 5.49782 10.6313 5.67862 10.738 10.5108 6.37586 8.94367 9.52819 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 9.60411 9.92932 5.49782 10.6313 5.67862 10.738 6.20443 9.71307 9.86662 12.4156 numMergedOcc 0
10 mol 206 unq 0 iso 0 dist 9.36079 8.46319 7.73294 14.2215 8.73396 11.5275 13.6173 7.7366 13.9342 6.35321 numMergedOcc 0
11 mol 206 unq 1 iso 0 dist 7.42904 9.11298 7.73294 11.233 8.73396 11.5275 9.96254 7.7366 13.9342 6.35321 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 5.57702 8.6537 7.0298 5.17118 8.0007 12.776 6.21233 9.87838 11.6115 5.29674 numMergedOcc 0
13 mol 229 unq 1 iso 0 dist 5.57702 8.75374 6.54885 5.17118 8.0007 13.2981 6.21233 9.87838 13.9028 5.29674 numMergedOcc 0
14 mol 229 unq 2 iso 0 dist 5.57702 7.10634 7.08329 5.17118 8.0007 10.6008 6.21233 9.87838 13.2937 5.29674 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 9.05929 9.89665 14.7998 6.0905 6.73134 10.8312 4.32403 8.04248 13.5269 5.52669 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 9.05929 9.89665 14.7998 6.0905 6.73134 10.8312 4.38595 8.35971 6.84306 5.27568 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 9.73983 8.65236 7.00201 11.7215 8.50313 11.3146 4.49913 8.45658 9.14619 13.3163 numMergedOcc 0
18 mol 261 unq 1 iso 0 dist 9.73983 8.65236 7.00201 13.4973 7.6414 13.063 4.49913 8.45658 9.14619 13.6041 numMergedOcc 0
