0 mol 6 unq 0 iso 0 dist 7.9786 8.63596 11.6802 10.657 13.6645 6.98764 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 8.26077 8.63596 12.7776 10.657 17.3966 6.98764 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.58007 9.62309 14.1042 14.1947 19.8653 8.79695 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 8.67879 8.75871 12.2135 4.81686 11.3536 5.37391 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.57204 8.07389 17.1394 14.9559 24.4736 9.52295 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 8.92763 6.85803 13.2894 4.89603 6.79804 9.10985 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 8.92763 5.64136 9.59715 4.89603 6.79804 6.23711 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 9.47548 5.52502 9.48212 6.89612 13.5908 4.78944 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.32453 6.09084 3.88898 4.51847 11.1335 9.32503 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 8.32453 6.09084 3.88898 10.559 5.46716 8.58421 numMergedOcc 0
10 mol 157 unq 0 iso 0 dist 8.97264 9.94725 12.9126 11.553 17.4621 6.09357 numMergedOcc 0
11 mol 174 unq 0 iso 0 dist 6.86417 8.67649 7.56444 12.3093 15.4174 8.99695 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.21359 9.02321 6.00812 4.40927 9.86348 9.21553 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 9.04278 8.88235 8.155 5.37948 9.08095 7.56376 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 8.55696 9.85095 10.1989 17.2861 18.5923 9.58747 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 7.45814 9.85095 11.7636 17.2861 17.2104 9.58747 numMergedOcc 0
16 mol 266 unq 2 iso 0 dist 5.59326 5.15737 5.36855 5.76227 10.4329 7.01175 numMergedOcc 0
17 mol 266 unq 3 iso 0 dist 5.59326 5.15737 5.36855 5.29294 7.49024 7.50074 numMergedOcc 0
18 mol 266 unq 4 iso 0 dist 9.66652 5.15737 10.7044 5.76227 15.325 7.01175 numMergedOcc 0
19 mol 266 unq 5 iso 0 dist 9.66652 5.15737 10.7044 5.29294 12.6433 7.50074 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.77135 5.61843 9.11505 8.56129 10.3547 8.25719 numMergedOcc 0
