0 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 4.32034 7.33768 9.69752 10.8435 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 8.52463 7.29868 9.36461 5.80953 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 4.32034 12.9284 9.69752 10.8435 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 8.52463 8.60554 9.36461 5.80953 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 5.11617 8.4051 4.90592 11.3231 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 10.8238 8.75662 8.16324 13.0711 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 5.11617 8.4051 4.90592 6.61696 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 10.8238 8.75662 8.16324 15.3807 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 13.2229 8.4051 4.90592 12.3034 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 6.7828 8.75662 8.16324 12.6707 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 13.2229 8.4051 4.90592 9.84204 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 6.7828 8.75662 8.16324 9.586 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 9.03564 6.75591 10.5332 10.0962 11.8747 6.99108 13.9879 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 9.95132 8.27828 12.9345 5.32257 12.1928 4.65127 11.2466 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 8.90863 8.82176 13.0114 7.48086 7.80499 5.71764 5.32257 12.1928 4.65127 6.63448 numMergedOcc 0
15 mol 60 unq 2 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 5.94827 11.816 4.65127 6.63448 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 9.73086 17.4121 7.8972 5.11416 13.8696 6.48232 6.14542 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 9.73086 5.70116 7.8972 5.11416 9.24757 6.48232 6.14542 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 8.68662 6.20232 10.9746 6.56633 9.24757 6.48232 8.96616 numMergedOcc 0
19 mol 73 unq 3 iso 0 dist 6.19304 8.73253 8.26458 7.4369 5.70116 7.8972 6.56633 9.24757 6.48232 6.14542 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 9.75218 7.04044 8.35241 9.73086 14.844 7.8972 5.11416 13.0145 6.48232 6.14542 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 6.45675 7.12017 9.52882 7.82475 5.43561 13.4027 9.75737 15.8683 9.5669 17.2742 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 6.45675 7.12017 9.52882 5.35782 6.30222 12.068 9.75737 15.8683 9.5669 14.2997 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 9.75737 16.5404 9.5669 17.2742 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 9.75737 16.5404 9.5669 14.2997 numMergedOcc 0
25 mol 100 unq 4 iso 0 dist 8.86688 7.12017 14.8674 7.82475 5.25234 13.4027 9.75737 16.3323 9.5669 17.2742 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 8.86688 7.12017 14.8674 5.35782 5.03232 12.068 9.75737 16.3323 9.5669 14.2997 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 5.58833 9.00231 7.06894 4.55551 6.28565 9.94578 9.8591 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 9.27976 3.98662 5.30999 10.3369 11.8327 8.92828 13.4975 numMergedOcc 0
29 mol 131 unq 1 iso 0 dist 8.40312 8.86329 5.89022 9.27976 3.98662 5.30999 7.7567 9.90168 5.56627 10.0568 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 7.21868 8.06642 4.935 4.57832 6.23142 9.30061 9.0176 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 9.86662 8.20836 5.12325 7.21868 4.00092 4.935 4.57832 9.94764 9.30061 9.0176 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 9.63417 11.0361 5.68406 11.8693 17.6416 5.89564 10.8314 numMergedOcc 0
33 mol 175 unq 1 iso 0 dist 9.29945 7.35824 12.5754 9.63417 11.0361 5.68406 6.77832 12.6314 5.60528 10.5288 numMergedOcc 0
34 mol 175 unq 2 iso 0 dist 9.29945 9.17364 10.0424 9.63417 11.0361 9.31641 6.77832 12.6314 5.5995 10.5288 numMergedOcc 0
35 mol 204 unq 0 iso 0 dist 7.10633 6.85441 8.17229 7.9133 10.7169 9.54203 5.86489 11.5776 5.91727 9.48625 numMergedOcc 0
36 mol 204 unq 1 iso 0 dist 8.51516 6.85441 5.74707 7.9133 5.57347 9.54203 5.86489 7.32294 5.91727 9.48625 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 6.71524 5.10213 8.03712 4.9377 9.40808 6.57921 9.9183 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 7.15764 7.40852 4.34126 6.35641 11.0831 7.39391 8.09509 numMergedOcc 0
39 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 8.29262 10.7813 5.82131 5.24812 13.6942 7.21655 11.9497 numMergedOcc 0
