0 mol 0 unq 0 iso 0 dist 6.8892 5.55156 5.85361 7.1599 11.788 7.15528 13.6664 18.7215 13.3337 7.37981 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.8892 5.55156 5.85361 7.1599 11.788 7.15528 7.19397 11.5675 6.83587 7.19621 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.02869 5.83658 5.37308 10.826 12.421 9.60499 14.8548 9.68824 11.5784 9.85726 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 12.8388 11.6724 9.96396 15.5908 10.8619 10.4716 6.89722 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.90896 5.79954 4.78435 12.8388 11.6724 9.96396 12.802 10.996 8.31041 7.26679 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.90896 5.79954 4.78435 9.65653 14.5091 9.75218 12.802 10.996 8.31041 9.30776 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.90896 5.79954 4.78435 14.1415 10.2786 9.38498 12.802 10.996 8.31041 9.68526 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.90896 5.79954 4.78435 14.1415 10.2786 9.38498 16.8277 13.2175 11.7069 9.72442 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.41083 7.83568 11.8582 7.10772 14.3348 5.11551 11.1256 13.8929 5.39296 6.7225 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 10.6943 15.6403 9.23153 7.86207 9.09963 4.90657 9.8711 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 8.57174 8.9077 13.8822 10.6943 18.2814 9.23153 7.86207 14.3078 4.90657 9.8711 numMergedOcc 0
11 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 7.37154 12.8799 6.7547 13.8632 15.7898 7.07028 8.43766 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 4.71683 6.73134 7.41812 5.52669 9.44496 8.04248 9.13126 8.3795 6.0258 9.10613 numMergedOcc 0
13 mol 236 unq 1 iso 0 dist 8.63249 9.97357 13.6195 16.5918 16.1665 8.35971 20.0044 22.6763 10.054 8.77254 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 12.1502 17.0305 6.16342 10.2234 16.88 5.29737 6.37342 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 7.26758 6.40592 7.3737 7.93809 12.8359 7.4631 9.174 10.9643 4.86437 9.72526 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 9.78068 9.04358 6.42289 7.70189 5.27718 9.22664 8.58088 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 8.70193 7.9357 4.51422 8.73372 10.0455 6.42289 12.9422 9.46467 9.22664 8.58088 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 7.25618 8.81059 4.51422 9.78068 10.0455 6.42289 7.70189 9.46467 9.22664 8.58088 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 8.15119 8.35794 7.94155 5.77904 4.81916 9.7748 12.4458 5.95045 13.2927 6.90434 numMergedOcc 0
