0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 5.92202 14.3332 8.26708 10.1354 10.3603 8.31812 12.3378 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.05502 11.573 7.83786 5.86882 10.0889 5.47982 4.56797 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 7.05502 10.5273 7.83786 5.86882 6.07553 5.47982 4.56797 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 7.6222 8.80127 4.87192 11.7026 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 11.7026 8.80127 4.87192 7.6222 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 7.57578 6.90155 9.36158 10.6808 13.7311 5.81959 7.19007 12.9796 5.44124 5.52519 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 7.17969 6.90155 10.1525 10.6808 12.9968 5.81959 7.19007 12.3239 5.44124 5.52519 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 7.31767 5.81959 7.63409 10.6808 12.4135 6.90155 5.52519 11.272 5.44124 7.19007 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 6.03987 5.81959 8.4666 10.6808 11.6743 6.90155 5.52519 9.90362 5.44124 7.19007 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.4148 10.2049 8.73253 8.00278 16.2514 9.22853 10.4159 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 5.4148 6.19304 8.73253 8.00278 13.1245 9.22853 10.4159 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 5.4148 9.96396 7.04044 10.4159 13.1245 9.22853 8.00278 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 9.75218 7.04044 8.35241 5.4148 11.6369 8.73253 8.00278 16.0336 9.22853 10.4159 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 4.26409 11.3023 8.00777 5.46695 8.77199 6.00564 6.62562 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.95579 8.00777 5.08358 4.26409 6.19965 7.1589 6.62562 8.81824 6.00564 5.46695 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 6.19965 7.1589 5.08358 4.26409 7.95579 8.00777 5.46695 8.81824 6.00564 6.62562 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 4.85907 10.3704 7.99857 6.42493 11.8946 8.81779 4.55137 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 9.87172 7.99857 7.61939 4.85907 12.6489 8.56342 4.55137 8.20715 8.81779 6.42493 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 7.38516 7.26832 5.60393 12.2848 11.394 6.61806 9.41884 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 6.03031 8.44861 5.28092 7.38516 7.26832 5.60393 9.73907 7.23959 7.85966 12.3578 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 7.26832 5.60393 5.28092 7.38516 6.03031 8.44861 9.41884 11.394 6.61806 12.2848 numMergedOcc 0
21 mol 205 unq 3 iso 0 dist 7.26832 5.60393 5.28092 7.38516 6.03031 8.44861 12.3578 7.23959 7.85966 9.73907 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 8.82096 8.46327 10.2399 12.7897 16.7691 7.05523 15.5459 18.7398 9.734 3.7112 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.22356 8.65997 5.4694 6.21901 12.8593 7.14633 6.29394 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 5.22356 8.65997 5.4694 13.798 10.1659 9.94302 10.9445 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 5.22356 7.22101 8.38865 6.29394 12.8593 7.14633 6.21901 numMergedOcc 0
26 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 5.22356 7.22101 8.38865 10.9445 10.1659 9.94302 13.798 numMergedOcc 0
27 mol 227 unq 4 iso 0 dist 7.09863 8.38865 12.9587 5.22356 10.8157 5.4694 6.21901 13.0188 7.14633 6.29394 numMergedOcc 0
28 mol 227 unq 5 iso 0 dist 7.09863 8.38865 12.9587 5.22356 10.8157 5.4694 13.798 14.039 9.94302 10.9445 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 8.1148 8.47784 5.89666 13.2361 14.2744 8.66469 7.15243 10.9802 6.77555 7.18984 numMergedOcc 0
30 mol 252 unq 1 iso 0 dist 8.1715 8.47784 10.672 13.2361 17.8419 8.66469 7.15243 11.7535 6.77555 7.18984 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 6.60405 6.70815 7.42673 7.26417 6.42289 7.99477 9.34197 12.9131 8.65191 8.40328 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 6.42289 7.99477 7.42673 7.26417 6.60405 6.70815 8.40328 12.9131 8.65191 9.34197 numMergedOcc 0
33 mol 261 unq 0 iso 0 dist 9.14619 5.26434 6.04016 7.00201 8.45658 8.60026 7.83541 13.0961 7.75255 14.5304 numMergedOcc 0
34 mol 261 unq 1 iso 0 dist 9.14619 5.26434 6.04016 7.00201 8.45658 8.60026 10.6727 12.4461 8.96013 16.5975 numMergedOcc 0
35 mol 261 unq 2 iso 0 dist 8.45658 8.60026 6.04016 7.00201 9.14619 5.26434 14.5304 13.0961 7.75255 7.83541 numMergedOcc 0
36 mol 261 unq 3 iso 0 dist 8.45658 8.60026 6.04016 7.00201 9.14619 5.26434 16.5975 12.4461 8.96013 10.6727 numMergedOcc 0
