0 mol 43 unq 0 iso 0 dist 9.23033 10.6411 8.21247 5.31824 7.15901 11.8732 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.61448 7.13909 9.86535 9.04936 8.34893 6.7028 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.94842 5.41488 7.34325 9.2645 9.85865 5.27001 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 9.9555 5.41488 6.42037 9.2645 8.74946 5.27001 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.75341 9.65371 7.47162 5.7253 5.17145 4.66422 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.0318 9.57704 7.318 3.51719 5.70907 6.15669 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.58666 14.4523 6.6536 8.28084 7.34602 13.4686 numMergedOcc 0
7 mol 170 unq 0 iso 0 dist 8.95292 15.6007 9.66676 4.77713 5.13268 11.0716 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 8.51612 6.08215 7.50455 4.18413 9.20493 9.27924 numMergedOcc 0
9 mol 195 unq 0 iso 0 dist 5.08438 9.10689 6.65077 10.7217 7.87972 4.52076 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 8.83742 5.2011 8.565 12.1028 8.54702 8.93439 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 7.69491 16.88 9.993 14.0929 8.88763 12.7949 numMergedOcc 0
12 mol 239 unq 1 iso 0 dist 7.69491 16.88 9.993 10.4935 6.43209 10.4475 numMergedOcc 0
13 mol 239 unq 2 iso 0 dist 7.69491 16.88 9.993 13.5016 8.48769 5.68875 numMergedOcc 0
14 mol 239 unq 3 iso 0 dist 6.64008 14.2079 9.993 5.15966 8.88763 12.7949 numMergedOcc 0
15 mol 239 unq 4 iso 0 dist 6.64008 14.2079 9.993 8.27455 6.43209 10.4475 numMergedOcc 0
16 mol 239 unq 5 iso 0 dist 6.64008 14.2079 9.993 13.5505 8.48769 5.68875 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 7.95874 6.27569 9.07781 8.9906 9.92277 11.2411 numMergedOcc 0
18 mol 247 unq 1 iso 0 dist 7.95874 8.04601 6.84199 8.9906 9.92277 8.28729 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 8.9352 7.78018 8.34313 7.91886 5.81528 10.4013 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 5.8845 5.38411 8.34313 9.00832 5.81528 10.4013 numMergedOcc 0
