0 mol 60 unq 0 iso 0 dist 8.6492 6.30425 4.65127 12.9682 5.94827 7.55695 6.39094 6.63448 5.71764 8.4312 numMergedOcc 0
1 mol 60 unq 1 iso 0 dist 8.6492 6.30425 4.65127 12.2083 5.32257 8.82176 10.8353 11.2466 12.9345 9.95132 numMergedOcc 0
2 mol 60 unq 2 iso 0 dist 8.6492 6.30425 4.65127 12.2083 5.32257 8.82176 6.39094 6.63448 5.71764 7.48086 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 8.51206 4.89837 6.76575 12.4099 7.20706 8.67766 12.2268 13.7062 9.03468 9.77497 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 8.51206 4.89837 6.76575 11.8462 5.35728 8.0831 15.5436 14.0071 11.0597 9.89083 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 7.85849 17.112 9.30061 14.0056 7.1797 7.36779 15.9796 9.0176 4.935 9.66543 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 7.85849 17.112 9.30061 10.9216 4.57832 8.20836 15.9796 9.0176 4.935 7.21868 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 6.08299 9.75179 9.30061 9.14415 7.1797 7.36779 11.6261 9.0176 4.935 9.66543 numMergedOcc 0
8 mol 134 unq 3 iso 0 dist 6.08299 9.75179 9.30061 9.79337 4.57832 8.20836 11.6261 9.0176 4.935 7.21868 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.10556 4.86119 4.46777 10.9387 10.1386 6.69515 6.83215 5.92302 5.25982 8.07097 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 8.85675 6.03671 6.51014 7.34207 5.27847 7.72144 13.1744 13.2829 14.4682 8.33439 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.41708 8.7763 7.46987 11.8774 7.30024 7.24795 6.50911 9.45907 9.40383 8.73533 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 6.0685 8.49599 7.02575 13.6375 14.4429 9.83476 14.1527 12.6585 6.38897 7.2793 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 6.0685 8.49599 7.02575 13.6375 14.4429 9.83476 16.9592 15.5879 8.93258 9.51091 numMergedOcc 0
14 mol 186 unq 3 iso 0 dist 6.0685 8.49599 7.02575 13.6375 14.4429 9.83476 11.8416 15.7057 11.924 7.85184 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 6.67938 8.9748 5.91727 11.0143 5.86489 6.85441 9.16346 9.48625 9.54203 7.9133 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 9.42329 5.35986 6.78579 11.3254 7.67559 7.63018 5.11101 9.68477 6.75621 8.63693 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 8.05594 13.1808 8.20162 14.1724 7.17211 6.6561 18.409 11.432 6.35462 6.50998 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 8.05594 13.1808 8.20162 14.1724 7.17211 6.6561 17.2108 13.1625 5.94765 9.09424 numMergedOcc 0
19 mol 225 unq 2 iso 0 dist 8.05594 13.1808 8.20162 14.1724 7.17211 6.6561 12.9812 10.351 11.2847 8.14831 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.71956 6.63088 7.85414 7.151 6.28695 6.57903 10.3171 9.26157 14.6871 9.57499 numMergedOcc 0
