0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 14.7759 9.68596 11.024 16.7601 9.0379 14.6803 6.7985 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 14.7759 9.68596 15.0497 16.7601 9.0379 17.2429 6.7985 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 6.92532 5.18512 4.97119 6.41575 6.39966 6.864 5.80928 9.47529 6.41423 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.82074 6.36455 5.18512 6.01808 6.41575 6.39966 11.0366 5.80928 9.47529 6.41423 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.864 6.92532 9.47529 4.97119 6.41423 6.39966 4.54938 5.80928 5.18512 6.41575 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 15.5324 15.5315 17.4067 8.4051 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 8.86116 10.0952 5.97304 8.60554 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 6.72502 6.58998 14.012 9.41441 11.5841 13.2433 11.4989 9.48345 6.73939 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 15.5324 14.6259 17.4067 8.4051 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 6.86014 10.0952 6.00575 7.29868 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.86116 6.60423 5.97304 13.4893 9.44691 14.4545 15.5324 14.6259 17.4067 8.75662 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 11.0194 15.5315 12.0003 7.29868 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 13.2433 14.6259 11.2106 8.60554 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 5.54419 4.93188 4.33963 10.8238 8.75662 8.16324 13.2433 14.6259 11.2106 9.44691 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 20.3888 15.5315 12.0003 7.29868 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 15.5296 14.6259 11.2106 8.60554 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 7.36323 9.24958 4.33963 6.7828 8.75662 8.16324 15.5296 14.6259 11.2106 9.44691 numMergedOcc 0
17 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 5.77929 8.87757 11.4352 12.7009 15.5644 15.572 8.50222 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 5.77929 8.87757 11.4352 12.8117 16.1048 16.7731 7.55264 numMergedOcc 0
19 mol 25 unq 2 iso 0 dist 7.57578 6.90155 9.36158 6.08585 8.50222 12.7162 11.9561 15.5644 17.9006 8.87757 numMergedOcc 0
20 mol 25 unq 3 iso 0 dist 7.57578 6.90155 9.36158 6.08585 8.50222 12.7162 7.17969 4.33106 10.1525 7.55264 numMergedOcc 0
21 mol 25 unq 4 iso 0 dist 7.17969 6.90155 10.1525 6.08585 7.55264 12.7162 11.9561 16.1048 17.9006 8.87757 numMergedOcc 0
22 mol 25 unq 5 iso 0 dist 7.17969 6.90155 10.1525 6.08585 7.55264 12.7162 7.57578 4.33106 9.36158 8.50222 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 10.2865 7.54568 12.1999 15.309 10.1164 12.9551 9.39864 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 8.09967 7.54568 12.1999 11.2656 10.1164 12.9551 9.39864 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 6.10456 8.40073 6.934 4.47349 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 10.1136 10.2427 7.17433 5.65185 numMergedOcc 0
27 mol 98 unq 2 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 5.08437 8.40073 7.32662 6.7117 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 10.1136 5.02887 7.17433 5.65185 numMergedOcc 0
29 mol 100 unq 0 iso 0 dist 7.47343 9.00544 14.9392 12.2861 8.30845 20.8516 12.0662 5.88134 18.942 7.01812 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 7.47343 7.12017 12.6602 12.2861 8.30845 13.9603 12.0662 5.88134 14.8903 7.01812 numMergedOcc 0
31 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 7.20179 6.52773 8.8562 10.3704 4.85907 4.99056 9.11344 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 6.54501 5.53031 5.35679 5.71679 7.69991 10.0154 6.49416 5.00526 8.46636 6.23142 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 6.54501 5.53031 5.35679 5.71679 7.69991 10.0154 12.5075 11.3271 15.2647 9.94764 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 11.9139 5.00526 13.1292 7.69991 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 9.86662 6.81259 5.12325 9.94764 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 6.49416 5.53031 8.46636 5.71679 6.23142 10.0154 6.54501 5.00526 5.35679 7.69991 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 6.49416 5.53031 8.46636 5.71679 6.23142 10.0154 12.5075 6.81259 15.2647 9.94764 numMergedOcc 0
38 mol 134 unq 6 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 11.9139 11.3271 13.1292 7.69991 numMergedOcc 0
39 mol 134 unq 7 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 8.94367 6.81259 9.4027 6.23142 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 6.6251 6.2479 10.8541 9.94371 6.01247 15.8842 6.22122 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 9.1374 6.51749 13.8722 6.6251 6.2479 10.8541 5.98885 8.88798 5.93488 7.99195 numMergedOcc 0
42 mol 181 unq 2 iso 0 dist 5.98885 6.51749 5.93488 6.6251 7.99195 10.8541 9.1374 8.88798 13.8722 6.2479 numMergedOcc 0
43 mol 181 unq 3 iso 0 dist 5.98885 6.51749 5.93488 6.6251 7.99195 10.8541 9.94371 12.6324 15.8842 6.22122 numMergedOcc 0
44 mol 181 unq 4 iso 0 dist 9.09537 7.20392 5.93488 10.09 7.99195 10.8541 15.0228 8.88798 13.8722 6.2479 numMergedOcc 0
45 mol 181 unq 5 iso 0 dist 9.09537 7.20392 5.93488 10.09 7.99195 10.8541 16.2058 12.6324 15.8842 6.22122 numMergedOcc 0
46 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 6.35849 7.43071 14.3567 7.09863 4.39704 12.9587 6.02296 numMergedOcc 0
47 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 10.204 7.43071 14.3567 10.8157 4.39704 12.9587 6.02296 numMergedOcc 0
48 mol 227 unq 2 iso 0 dist 7.55216 5.87815 10.6244 9.32448 7.43071 11.5062 10.0334 4.39704 11.2778 6.02296 numMergedOcc 0
49 mol 227 unq 3 iso 0 dist 7.09863 8.38865 12.9587 6.35849 6.02296 14.3567 7.22101 4.39704 11.0628 7.43071 numMergedOcc 0
50 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 10.5803 6.56633 5.8023 8.50102 numMergedOcc 0
51 mol 258 unq 0 iso 0 dist 6.60405 9.53063 6.6525 5.63675 7.21311 12.3072 10.5548 12.321 18.1333 9.63959 numMergedOcc 0
52 mol 258 unq 1 iso 0 dist 6.60405 9.53063 6.6525 5.63675 7.21311 12.3072 14.3043 10.7374 16.8629 9.96262 numMergedOcc 0
53 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 11.3168 11.3308 10.4342 6.39866 numMergedOcc 0
54 mol 274 unq 1 iso 0 dist 7.56915 8.49922 9.27829 5.29529 8.52587 10.4781 11.3168 11.3308 15.627 6.39866 numMergedOcc 0
