0 mol 60 unq 0 iso 0 dist 8.04272 10.0675 9.90939 8.4928 4.82351 7.55695 5.09908 10.5084 7.29309 9.96399 numMergedOcc 0
1 mol 60 unq 1 iso 0 dist 8.04272 10.0675 9.90939 8.4928 4.82351 7.55695 14.3334 11.6165 5.00018 8.82176 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 8.54555 5.38234 6.76508 5.12044 7.18126 8.37515 5.05869 11.5413 10.2941 5.69971 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 8.54555 5.38234 6.76508 5.12044 7.18126 8.37515 6.13504 13.2643 8.06868 9.83239 numMergedOcc 0
4 mol 65 unq 2 iso 0 dist 7.0386 5.05869 7.90294 5.12044 6.00418 5.69971 6.13504 13.1118 9.20128 9.83239 numMergedOcc 0
5 mol 65 unq 3 iso 0 dist 7.0386 5.05869 7.90294 5.12044 6.00418 5.69971 5.38234 8.22785 10.2941 8.37515 numMergedOcc 0
6 mol 65 unq 4 iso 0 dist 7.0386 5.38234 8.22785 5.12044 6.00418 8.37515 5.05869 7.90294 10.2941 5.69971 numMergedOcc 0
7 mol 65 unq 5 iso 0 dist 7.0386 5.38234 8.22785 5.12044 6.00418 8.37515 6.13504 13.1118 8.06868 9.83239 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 6.86997 9.70656 9.91993 11.1382 7.23332 9.74542 14.7329 13.4961 6.83844 9.02318 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 6.86997 9.70656 9.91993 11.1382 7.23332 9.74542 11.2162 12.1227 8.72919 7.97543 numMergedOcc 0
10 mol 148 unq 2 iso 0 dist 7.46919 9.70656 6.22055 11.1382 7.89336 9.74542 14.7329 10.8708 6.83844 9.02318 numMergedOcc 0
11 mol 148 unq 3 iso 0 dist 7.46919 9.70656 6.22055 11.1382 7.89336 9.74542 11.2162 11.2961 8.72919 7.97543 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 6.79381 9.69704 9.96691 11.1473 7.35366 9.6606 11.2566 12.1516 8.77324 7.85526 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 6.79381 9.69704 9.96691 11.1473 7.35366 9.6606 14.8358 13.6809 6.98865 8.94552 numMergedOcc 0
14 mol 150 unq 2 iso 0 dist 7.36989 9.69704 6.14675 11.1473 7.86976 9.6606 11.2566 11.2313 8.77324 7.85526 numMergedOcc 0
15 mol 150 unq 3 iso 0 dist 7.36989 9.69704 6.14675 11.1473 7.86976 9.6606 14.8358 10.9703 6.98865 8.94552 numMergedOcc 0
16 mol 150 unq 4 iso 0 dist 8.17805 9.69704 9.24244 11.1473 11.8012 9.6606 11.2566 15.2191 8.77324 7.85526 numMergedOcc 0
17 mol 150 unq 5 iso 0 dist 8.17805 9.69704 9.24244 11.1473 11.8012 9.6606 14.8358 14.9682 6.98865 8.94552 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.4751 9.28655 5.93786 11.1543 6.29877 7.71426 10.4021 8.24693 7.31409 5.10618 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 6.4751 9.28655 5.93786 11.1543 6.29877 7.71426 20.0787 13.8551 13.6814 9.86681 numMergedOcc 0
20 mol 171 unq 2 iso 0 dist 6.4751 10.4021 8.24693 11.1543 6.29877 5.10618 9.28655 5.93786 7.31409 7.71426 numMergedOcc 0
21 mol 171 unq 3 iso 0 dist 6.4751 10.4021 8.24693 11.1543 6.29877 5.10618 20.0787 13.8551 13.7214 9.86681 numMergedOcc 0
22 mol 171 unq 4 iso 0 dist 5.75085 9.28655 8.1344 11.1543 5.90358 7.71426 10.4021 6.71356 7.31409 5.10618 numMergedOcc 0
23 mol 171 unq 5 iso 0 dist 5.75085 9.28655 8.1344 11.1543 5.90358 7.71426 20.0787 15.2816 13.6814 9.86681 numMergedOcc 0
24 mol 171 unq 6 iso 0 dist 5.75085 10.4021 6.71356 11.1543 5.90358 5.10618 9.28655 8.1344 7.31409 7.71426 numMergedOcc 0
25 mol 171 unq 7 iso 0 dist 5.75085 10.4021 6.71356 11.1543 5.90358 5.10618 20.0787 15.2816 13.7214 9.86681 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 8.09776 10.977 6.72379 8.63008 7.50057 8.83356 13.445 12.4952 14.6506 6.26839 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 8.09776 10.977 6.72379 8.63008 7.50057 8.83356 15.3582 15.1649 13.5632 8.12346 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 8.09776 10.977 6.72379 8.63008 7.50057 8.83356 16.6746 13.2138 11.6097 8.2654 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 5.4455 13.445 8.65535 8.63008 5.92931 6.26839 15.3582 12.0009 8.0179 8.12346 numMergedOcc 0
30 mol 194 unq 4 iso 0 dist 5.4455 13.445 8.65535 8.63008 5.92931 6.26839 10.977 12.645 14.6506 8.83356 numMergedOcc 0
31 mol 194 unq 5 iso 0 dist 5.4455 13.445 8.65535 8.63008 5.92931 6.26839 16.6746 13.9101 8.48054 8.2654 numMergedOcc 0
32 mol 194 unq 6 iso 0 dist 6.57575 11.4562 6.72379 12.3731 7.50057 8.83356 17.115 12.4952 14.6506 6.26839 numMergedOcc 0
33 mol 194 unq 7 iso 0 dist 6.57575 11.4562 6.72379 12.3731 7.50057 8.83356 20.2551 15.1649 13.5632 8.12346 numMergedOcc 0
34 mol 194 unq 8 iso 0 dist 6.57575 11.4562 6.72379 12.3731 7.50057 8.83356 19.4533 13.2138 11.6097 8.2654 numMergedOcc 0
35 mol 194 unq 9 iso 0 dist 9.30761 5.55582 6.72379 12.8922 7.50057 8.83356 19.1131 12.4952 14.6506 6.26839 numMergedOcc 0
36 mol 194 unq 10 iso 0 dist 9.30761 5.55582 6.72379 12.8922 7.50057 8.83356 17.8762 15.1649 13.5632 8.12346 numMergedOcc 0
37 mol 194 unq 11 iso 0 dist 9.30761 5.55582 6.72379 12.8922 7.50057 8.83356 16.9604 13.2138 11.6097 8.2654 numMergedOcc 0
38 mol 195 unq 0 iso 0 dist 9.25935 7.00308 7.36683 5.46768 6.0634 6.60567 5.34788 9.26504 10.7531 7.62942 numMergedOcc 0
39 mol 195 unq 1 iso 0 dist 9.25935 5.34788 9.26504 5.46768 6.0634 7.62942 7.00308 7.36683 10.7531 6.60567 numMergedOcc 0
40 mol 198 unq 0 iso 0 dist 8.28295 4.81051 6.34616 10.1253 9.86517 8.10985 10.8778 16.2739 11.6493 9.18635 numMergedOcc 0
41 mol 240 unq 0 iso 0 dist 8.89428 6.24198 6.68687 13.9986 15.5587 9.47583 5.90601 10.5594 4.28414 8.44909 numMergedOcc 0
42 mol 278 unq 0 iso 0 dist 9.73172 6.42903 6.62841 8.04138 13.537 7.67245 10.3943 11.3027 5.74345 9.12395 numMergedOcc 0
43 mol 279 unq 0 iso 0 dist 5.94449 7.7504 9.09855 8.84798 5.89415 6.43341 13.8061 13.6219 6.67478 8.29305 numMergedOcc 0
