0 mol 26 unq 0 iso 0 dist 8.69142 14.1116 7.3022 11.3835 4.03003 7.7868 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.43523 6.23975 7.3022 5.71245 4.03003 7.7868 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.12513 10.2582 6.61977 14.6072 7.74382 9.61289 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 6.9762 4.92196 6.61977 6.46901 7.74382 9.61289 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.39356 5.84535 7.52142 7.65299 4.08294 5.58063 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 7.35647 9.17181 6.90634 14.4119 11.7935 6.01132 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 4.88366 8.0835 6.90634 13.9422 11.7935 6.01132 numMergedOcc 0
7 mol 146 unq 0 iso 0 dist 8.73563 6.21982 6.50043 14.3434 6.27901 9.77771 numMergedOcc 0
8 mol 146 unq 1 iso 0 dist 9.64915 5.91626 6.50043 13.7028 6.27901 9.77771 numMergedOcc 0
9 mol 146 unq 2 iso 0 dist 6.4477 11.4615 9.44952 16.681 11.2713 9.77771 numMergedOcc 0
10 mol 146 unq 3 iso 0 dist 7.92203 6.21982 9.44952 14.3434 11.2713 9.77771 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 8.76228 5.5203 6.64779 10.8906 5.04427 9.56248 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.19189 9.94791 9.84492 10.561 5.18732 9.08641 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 8.34668 4.34714 9.84492 6.22466 5.18732 9.08641 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 8.08581 12.4324 6.54825 18.1901 10.1825 9.74324 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 5.98104 4.25998 6.54825 12.6926 10.1825 9.74324 numMergedOcc 0
16 mol 235 unq 2 iso 0 dist 4.46919 5.61388 7.95766 6.91126 3.93066 8.19915 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 6.65465 5.02354 7.15195 5.41373 5.62227 8.52504 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.85202 6.3161 8.81629 11.2394 5.99553 7.96197 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 6.97527 6.3161 6.87131 11.2394 5.18265 7.96197 numMergedOcc 0
20 mol 238 unq 3 iso 0 dist 6.97527 10.8926 8.09718 11.2394 5.18265 6.24435 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 6.59092 5.35494 8.85779 11.7493 13.9497 9.79283 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.64361 6.75676 6.43034 6.01542 4.60075 8.96092 numMergedOcc 0
