0 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 8.27891 8.15864 10.1259 10.9157 6.67154 8.17618 12.5465 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 7.27834 8.85416 12.1186 10.0975 5.9853 5.54343 13.7301 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 7.85826 7.27834 8.85416 7.26196 5.66803 12.1186 12.9323 6.43864 9.99634 12.0432 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.63813 11.1941 7.48127 8.65163 5.73235 10.0928 15.3417 10.6009 4.83274 11.7544 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.61918 15.6785 8.76088 13.2228 5.79195 9.34083 11.2882 8.99025 8.96061 13.8241 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.61918 15.6785 8.76088 15.392 9.2759 11.2107 11.2882 8.99025 8.96061 10.2321 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 9.16949 11.7651 9.13339 5.14081 7.60956 8.73614 15.129 7.94378 8.28732 13.4222 numMergedOcc 0
7 mol 189 unq 0 iso 0 dist 9.46859 4.50095 6.38294 6.34597 9.47321 8.74557 12.1108 6.35993 8.57361 13.531 numMergedOcc 0
8 mol 212 unq 0 iso 0 dist 9.50443 13.9428 6.36102 11.5092 7.6819 5.4231 12.3735 4.06334 7.3529 10.7307 numMergedOcc 0
9 mol 236 unq 0 iso 0 dist 7.61854 11.7831 8.63249 8.73194 7.74348 15.386 11.0371 13.6195 9.97357 16.3801 numMergedOcc 0
10 mol 236 unq 1 iso 0 dist 7.61854 11.7831 8.63249 8.73194 7.74348 15.386 5.99137 7.45579 6.36941 12.2331 numMergedOcc 0
11 mol 236 unq 2 iso 0 dist 7.61854 8.73194 7.74348 11.7831 8.63249 15.386 12.7689 13.0929 9.96011 21.314 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 5.86702 4.18036 8.70193 4.69752 7.25618 7.64421 5.31858 4.51422 7.9357 8.81059 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 5.86702 4.18036 8.70193 4.69752 7.25618 7.64421 5.71851 4.99997 5.79537 9.12006 numMergedOcc 0
14 mol 258 unq 2 iso 0 dist 5.86702 4.69752 7.25618 4.18036 8.70193 7.64421 14.1869 15.0574 9.67877 17.1491 numMergedOcc 0
15 mol 258 unq 3 iso 0 dist 5.86702 4.69752 7.25618 4.18036 8.70193 7.64421 5.31858 4.51422 8.81059 7.9357 numMergedOcc 0
16 mol 258 unq 4 iso 0 dist 5.86702 4.69752 7.25618 4.18036 8.70193 7.64421 5.71851 4.99997 9.12006 5.79537 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 8.54653 6.25509 9.76967 7.48605 8.83076 11.8293 14.997 18.1328 9.26066 19.6794 numMergedOcc 0
18 mol 280 unq 1 iso 0 dist 8.71581 7.74111 9.76967 9.78493 8.83076 11.8293 12.5446 18.1328 9.26066 19.6794 numMergedOcc 0
19 mol 280 unq 2 iso 0 dist 9.79817 13.8226 9.76967 9.73214 8.83076 11.8293 19.0085 18.1328 9.26066 19.6794 numMergedOcc 0
