0 mol 27 unq 0 iso 0 dist 9.48375 8.73916 11.0337 6.25033 7.96312 10.7351 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.48375 5.66337 8.81543 6.25033 7.96312 10.1809 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 6.85127 8.73916 5.59799 6.25033 7.67129 10.7351 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 6.85127 5.66337 5.08283 6.25033 7.67129 10.1809 numMergedOcc 0
4 mol 124 unq 0 iso 0 dist 6.31232 7.3864 6.14262 12.6015 9.18949 13.3273 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 7.80819 9.7504 11.2933 10.2784 6.62527 16.7148 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 6.45502 7.75233 8.35641 7.33177 8.07946 12.2198 numMergedOcc 0
7 mol 184 unq 0 iso 0 dist 9.0757 7.73442 15.8237 5.71349 4.88303 11.7985 numMergedOcc 0
8 mol 226 unq 0 iso 0 dist 7.6174 9.82101 12.0828 8.00084 5.3747 14.728 numMergedOcc 0
9 mol 239 unq 0 iso 0 dist 7.19924 6.55222 6.18958 5.93253 9.85821 5.95622 numMergedOcc 0
10 mol 241 unq 0 iso 0 dist 8.89382 8.73768 9.03227 10.0326 7.82708 14.0957 numMergedOcc 0
11 mol 247 unq 0 iso 0 dist 5.32075 8.0367 6.75612 6.25568 6.29945 11.2454 numMergedOcc 0
12 mol 282 unq 0 iso 0 dist 6.15396 9.73723 8.67143 5.73412 7.84236 7.85295 numMergedOcc 0
