0 mol 24 unq 0 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
1 mol 24 unq 1 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
2 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 6.56748 11.3566 11.4664 9.73647 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 6.56748 11.3566 11.4664 7.26334 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 4.50066 9.83002 8.78859 6.19899 numMergedOcc 0
5 mol 24 unq 5 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
6 mol 24 unq 6 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 6.38336 8.23446 9.32328 4.5711 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 6.38336 8.23446 9.32328 4.44526 numMergedOcc 0
8 mol 24 unq 8 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
9 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 6.55597 4.69295 8.89681 5.77929 8.87757 11.4352 9.16515 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 7.07751 8.79309 5.5511 5.77929 8.87757 11.4352 9.82987 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 5.04899 6.6492 9.20601 9.49421 13.6145 11.7199 5.77929 8.87757 11.4352 6.53269 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 5.04899 6.6492 9.20601 9.49421 13.6145 11.7199 6.68639 9.61019 12.7621 9.81524 numMergedOcc 0
13 mol 25 unq 4 iso 0 dist 7.57578 6.90155 9.36158 9.48085 5.18617 13.7717 6.08585 8.50222 12.7162 6.53269 numMergedOcc 0
14 mol 25 unq 5 iso 0 dist 7.57578 6.90155 9.36158 9.48085 5.18617 13.7717 9.15781 12.4659 15.9412 9.81524 numMergedOcc 0
15 mol 25 unq 6 iso 0 dist 7.17969 6.90155 10.1525 9.48085 5.68041 13.7717 6.08585 7.55264 12.7162 6.53269 numMergedOcc 0
16 mol 25 unq 7 iso 0 dist 7.17969 6.90155 10.1525 9.48085 5.68041 13.7717 9.15781 10.3593 15.9412 9.81524 numMergedOcc 0
17 mol 25 unq 8 iso 0 dist 7.31767 5.81959 7.63409 7.6114 6.10919 11.4877 5.68392 9.79094 11.3646 6.29797 numMergedOcc 0
18 mol 25 unq 9 iso 0 dist 6.03987 5.81959 8.4666 7.6114 5.86705 11.4877 5.68392 6.85556 11.3646 6.29797 numMergedOcc 0
19 mol 60 unq 0 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
20 mol 60 unq 1 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
21 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
22 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
23 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
24 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
25 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
26 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 7.64052 9.68677 6.29394 12.0175 17.8739 14.7366 8.67537 numMergedOcc 0
27 mol 119 unq 1 iso 0 dist 8.73993 6.37542 6.08167 7.64052 9.68677 9.64502 12.0175 17.8739 15.9094 8.67537 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 10.8661 11.5311 14.7366 8.67537 numMergedOcc 0
29 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
30 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
31 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
32 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
33 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 6.35849 7.43071 14.3567 9.18728 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 10.9607 5.41321 12.135 8.91971 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 10.204 7.43071 14.3567 9.18728 numMergedOcc 0
36 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 9.72615 5.41321 12.135 8.91971 numMergedOcc 0
37 mol 227 unq 4 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 6.35849 6.02296 14.3567 9.18728 numMergedOcc 0
38 mol 227 unq 5 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 10.9607 9.74265 12.135 8.91971 numMergedOcc 0
39 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 7.27993 5.70473 6.93188 6.65022 8.66332 13.9637 9.37336 numMergedOcc 0
40 mol 229 unq 1 iso 0 dist 7.03423 8.92743 9.62106 7.27993 7.22525 6.93188 6.65022 11.1976 13.9637 9.37336 numMergedOcc 0
41 mol 229 unq 2 iso 0 dist 9.87838 5.77318 7.7339 6.95201 4.61227 6.93188 10.2411 13.8021 13.9637 9.37336 numMergedOcc 0
42 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
43 mol 234 unq 0 iso 0 dist 9.45496 7.5366 5.63086 7.81215 12.4252 11.0592 10.0059 17.6227 16.6111 7.77911 numMergedOcc 0
44 mol 234 unq 1 iso 0 dist 6.7625 7.5366 5.6819 7.81215 5.75498 11.0592 10.0059 12.6238 16.6111 7.77911 numMergedOcc 0
45 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
