0 mol 34 unq 0 iso 0 dist 9.19554 7.87317 5.64203 11.9718 11.9434 6.87871 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 6.27017 8.00221 10.8964 4.23724 9.99634 6.6003 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 6.27017 8.00221 10.8964 9.75948 14.3851 6.44118 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.43893 6.22956 5.73441 7.73661 12.3007 6.7763 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.22704 8.21723 6.36131 4.98967 5.49623 8.0614 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.13327 7.28942 5.46236 15.3149 14.7527 9.59261 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 7.13327 7.28942 5.46236 6.69791 9.49799 6.67936 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 7.13327 7.28942 5.46236 10.9221 8.20865 8.25817 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 9.01608 5.05141 6.13451 4.41283 12.0802 8.42147 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 9.26609 5.38954 5.13142 5.17524 12.635 7.70533 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 6.79646 8.12739 4.44885 8.65331 11.9781 9.57611 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 6.79646 8.12739 4.44885 6.87887 6.6776 5.08206 numMergedOcc 0
12 mol 175 unq 2 iso 0 dist 8.41614 8.12739 4.81365 8.65331 10.6016 9.57611 numMergedOcc 0
13 mol 175 unq 3 iso 0 dist 8.41614 8.12739 4.81365 6.87887 9.09725 5.08206 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 8.48704 5.4981 5.51595 4.57422 10.7448 6.02561 numMergedOcc 0
15 mol 188 unq 1 iso 0 dist 7.22511 5.4981 4.54544 4.57422 7.63268 6.02561 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 9.99396 9.47309 14.7487 10.5254 16.0269 6.56437 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.63323 9.65375 6.32212 17.1285 14.7415 8.68464 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 9.82116 6.80314 4.76278 6.00666 12.0931 7.66519 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.88518 7.42888 9.0655 5.29393 9.67877 5.73296 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 9.23009 6.6112 6.79888 5.08625 8.52208 9.70907 numMergedOcc 0
21 mol 294 unq 1 iso 0 dist 9.23009 8.35722 7.05161 5.08625 8.52208 6.47832 numMergedOcc 0
