0 mol 33 unq 0 iso 0 dist 8.5865 9.8294 7.71372 13.2858 10.4473 5.66319 19.2403 14.8151 9.42379 8.43688 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.93939 6.04163 4.60412 7.90858 8.44279 4.24428 11.3999 10.8619 8.04817 5.39171 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.93939 6.04163 4.60412 7.90858 8.44279 4.24428 12.0249 10.996 9.76331 9.27355 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.93939 6.04163 4.60412 7.90858 8.44279 4.24428 11.2944 13.2175 10.4402 8.60363 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.28353 8.25679 5.35188 4.95052 11.4147 9.25163 12.125 13.3842 8.44462 9.64551 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 7.90753 8.80581 5.32364 7.11843 9.40718 9.63295 9.02183 5.15002 5.16386 6.47689 numMergedOcc 0
6 mol 210 unq 0 iso 0 dist 5.89811 7.86668 5.4508 12.3207 10.7017 8.07523 8.14413 5.02037 5.82028 6.24111 numMergedOcc 0
7 mol 210 unq 1 iso 0 dist 5.89811 7.86668 5.4508 12.3207 10.7017 8.07523 12.3596 9.6996 4.62641 8.60412 numMergedOcc 0
8 mol 210 unq 2 iso 0 dist 5.89811 7.86668 5.4508 12.2935 11.9511 7.56882 8.14413 5.02037 5.82028 9.00343 numMergedOcc 0
9 mol 210 unq 3 iso 0 dist 5.89811 7.86668 5.4508 12.2935 11.9511 7.56882 12.3596 9.6996 4.62641 7.05535 numMergedOcc 0
10 mol 217 unq 0 iso 0 dist 6.10085 7.52229 8.71371 10.9243 14.5269 9.90668 9.62606 11.0189 5.42652 6.01666 numMergedOcc 0
11 mol 241 unq 0 iso 0 dist 5.42605 8.18588 7.3737 6.5604 7.26758 6.40592 12.8152 10.9643 4.86437 9.174 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 7.87577 5.31858 5.90131 4.69752 8.10903 8.81059 10.6825 10.8957 13.8694 6.08181 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 7.87577 5.31858 5.90131 4.69752 8.10903 8.81059 8.8726 5.27718 9.22664 7.70189 numMergedOcc 0
14 mol 258 unq 2 iso 0 dist 7.87577 5.71851 9.68064 4.69752 8.10903 9.12006 10.6825 10.8957 14.0402 6.08181 numMergedOcc 0
15 mol 258 unq 3 iso 0 dist 7.87577 5.71851 9.68064 4.69752 8.10903 9.12006 8.8726 5.27718 13.0489 7.70189 numMergedOcc 0
16 mol 258 unq 4 iso 0 dist 5.86702 5.31858 4.51422 4.69752 7.25618 8.81059 10.6825 11.0025 13.8694 6.08181 numMergedOcc 0
17 mol 258 unq 5 iso 0 dist 5.86702 5.31858 4.51422 4.69752 7.25618 8.81059 8.8726 9.46467 9.22664 7.70189 numMergedOcc 0
18 mol 258 unq 6 iso 0 dist 5.86702 5.71851 4.99997 4.69752 7.25618 9.12006 10.6825 11.0025 14.0402 6.08181 numMergedOcc 0
19 mol 258 unq 7 iso 0 dist 5.86702 5.71851 4.99997 4.69752 7.25618 9.12006 8.8726 9.46467 13.0489 7.70189 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 5.74302 6.68878 4.86901 8.9397 11.1109 9.43169 11.6871 12.8162 8.80293 6.41477 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 9.87771 7.63115 8.00087 7.34826 11.5899 5.17586 13.558 11.304 6.03718 8.57035 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 9.10723 7.63115 9.98703 7.34826 13.5992 5.17586 13.558 14.8378 6.03718 8.57035 numMergedOcc 0
