0 mol 54 unq 0 iso 0 dist 5.59773 5.7405 4.29856 10.7832 8.58658 12.7397 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 8.01692 6.73819 4.83521 3.77207 7.19581 6.39879 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 6.78459 9.95103 7.16919 5.23 6.84197 9.18792 numMergedOcc 0
3 mol 143 unq 0 iso 0 dist 9.61081 5.75595 10.0059 3.88898 9.3169 8.94472 numMergedOcc 0
4 mol 143 unq 1 iso 0 dist 5.46922 5.75595 8.57817 3.88898 5.5639 8.94472 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 6.71202 6.22667 6.03934 4.94176 8.6851 9.99187 numMergedOcc 0
6 mol 206 unq 0 iso 0 dist 6.97859 6.69623 10.4747 10.9636 9.65041 17.3798 numMergedOcc 0
7 mol 224 unq 0 iso 0 dist 9.75313 6.48885 10.7174 9.19415 7.80754 13.8704 numMergedOcc 0
8 mol 224 unq 1 iso 0 dist 9.75313 6.48885 10.7174 14.1448 8.20295 17.7012 numMergedOcc 0
9 mol 230 unq 0 iso 0 dist 9.54235 7.48445 9.42172 7.52236 9.0813 8.19003 numMergedOcc 0
10 mol 264 unq 0 iso 0 dist 6.75305 9.14393 5.00209 10.5788 8.48407 11.5513 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 6.90434 5.92532 7.70529 3.87167 6.64082 9.04531 numMergedOcc 0
12 mol 294 unq 0 iso 0 dist 9.06517 9.7659 6.87875 10.0021 7.31663 13.6331 numMergedOcc 0
