0 mol 0 unq 0 iso 0 dist 9.6994 6.26831 6.34883 5.24778 11.2072 6.64713 11.8368 11.5748 6.90471 9.00092 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 6.26831 9.19662 5.24778 11.2263 6.64713 11.8368 15.9415 6.90471 9.00092 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 12.5088 8.91183 13.8334 6.61696 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 7.95042 5.69214 4.47891 5.80953 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 12.5088 14.8647 13.8334 6.61696 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 7.95042 5.11636 4.47891 5.80953 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 5.68215 10.1698 8.10397 6.61696 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 10.9113 13.6174 9.57743 5.80953 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 5.54419 4.93188 4.33963 10.8238 8.75662 8.16324 9.33482 5.50396 5.11135 9.586 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 17.003 10.1698 8.10397 6.61696 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 16.707 13.6174 9.57743 5.80953 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 7.36323 9.24958 4.33963 6.7828 8.75662 8.16324 7.27472 5.50396 5.11135 9.586 numMergedOcc 0
12 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 10.9837 18.1487 9.5053 13.6545 18.706 13.4114 6.7142 numMergedOcc 0
13 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 10.0962 11.8747 6.99108 15.5626 10.9078 9.20886 9.54323 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 5.85698 9.86039 6.62229 11.7132 11.8885 6.0309 7.58739 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 6.64012 7.27383 6.37648 5.85698 9.86039 6.62229 14.4498 15.802 11.5843 9.01564 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 6.64012 7.27383 6.37648 5.85698 9.86039 6.62229 10.6166 10.0319 7.05093 7.11065 numMergedOcc 0
17 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 5.32257 12.1928 4.65127 7.48086 7.80499 5.71764 6.63448 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 8.33063 9.96399 9.62257 11.2415 11.816 4.65127 12.8147 8.62476 5.71764 6.63448 numMergedOcc 0
19 mol 60 unq 2 iso 0 dist 8.7531 7.55695 9.62257 5.94827 11.816 4.65127 8.4312 8.62476 5.71764 6.63448 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.11416 13.8696 6.48232 12.2276 18.7673 10.9746 8.96616 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 9.38498 7.04044 15.7304 5.11416 13.8696 6.48232 9.73086 17.4121 7.8972 6.14542 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 9.96396 7.04044 8.26458 5.11416 9.24757 6.48232 12.2276 6.20232 10.9746 8.96616 numMergedOcc 0
23 mol 73 unq 3 iso 0 dist 9.96396 7.04044 8.26458 5.11416 9.24757 6.48232 9.73086 5.70116 7.8972 6.14542 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 6.19304 8.73253 8.26458 6.56633 9.24757 6.48232 8.68662 6.20232 10.9746 8.96616 numMergedOcc 0
25 mol 73 unq 5 iso 0 dist 6.19304 8.73253 8.26458 6.56633 9.24757 6.48232 7.4369 5.70116 7.8972 6.14542 numMergedOcc 0
26 mol 73 unq 6 iso 0 dist 9.75218 7.04044 8.35241 5.11416 13.0145 6.48232 12.2276 17.2422 10.9746 8.96616 numMergedOcc 0
27 mol 73 unq 7 iso 0 dist 9.75218 7.04044 8.35241 5.11416 13.0145 6.48232 9.73086 14.844 7.8972 6.14542 numMergedOcc 0
28 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 13.3997 11.9064 12.7386 5.05893 numMergedOcc 0
29 mol 85 unq 1 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 14.6517 14.7521 14.1999 5.71866 numMergedOcc 0
30 mol 85 unq 2 iso 0 dist 7.95579 8.00777 5.08358 11.165 12.0078 8.70863 15.9486 15.6263 12.7386 5.05893 numMergedOcc 0
31 mol 85 unq 3 iso 0 dist 7.95579 8.00777 5.08358 11.165 12.0078 8.70863 16.3916 17.6445 14.1999 5.71866 numMergedOcc 0
32 mol 85 unq 4 iso 0 dist 6.19965 7.1589 5.08358 9.29301 12.0078 8.70863 13.3997 15.6263 12.7386 5.05893 numMergedOcc 0
33 mol 85 unq 5 iso 0 dist 6.19965 7.1589 5.08358 9.29301 12.0078 8.70863 14.6517 17.6445 14.1999 5.71866 numMergedOcc 0
34 mol 112 unq 0 iso 0 dist 9.60462 8.729 11.0629 5.39346 10.1861 9.77017 10.2348 5.43385 8.59786 8.72725 numMergedOcc 0
35 mol 112 unq 1 iso 0 dist 9.60462 8.729 11.0629 5.39346 10.1861 9.77017 9.95699 9.5471 9.00531 6.11407 numMergedOcc 0
36 mol 112 unq 2 iso 0 dist 7.45389 8.729 5.48848 5.39346 10.15 9.77017 10.2348 7.54657 8.59786 8.72725 numMergedOcc 0
37 mol 112 unq 3 iso 0 dist 7.45389 8.729 5.48848 5.39346 10.15 9.77017 9.95699 10.3145 9.00531 6.11407 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 7.21868 8.06642 4.935 9.0176 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 7.21868 4.00092 4.935 9.0176 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 11.6919 16.2017 7.46987 17.684 17.5454 9.40383 9.45907 numMergedOcc 0
41 mol 204 unq 0 iso 0 dist 7.10633 6.85441 8.17229 5.86489 11.5776 5.91727 7.9133 10.7169 9.54203 9.48625 numMergedOcc 0
42 mol 204 unq 1 iso 0 dist 8.51516 6.85441 5.74707 5.86489 7.32294 5.91727 7.9133 5.57347 9.54203 9.48625 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 6.71524 5.10213 8.03712 9.9183 numMergedOcc 0
44 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 6.35641 11.0831 7.39391 7.15764 7.40852 4.34126 8.09509 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 12.8334 16.9539 14.9951 8.60027 numMergedOcc 0
46 mol 274 unq 1 iso 0 dist 8.49997 9.56685 12.106 5.29529 11.6126 8.2997 12.8334 19.9648 14.9951 8.60027 numMergedOcc 0
