0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 4.36226 8.53529 7.18019 10.9634 12.4076 10.9495 7.03958 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.96553 9.62879 8.4069 4.36226 8.53529 7.18019 12.4058 12.9016 6.23795 8.44009 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.62879 8.96553 8.4069 4.36226 7.18019 8.53529 10.9634 10.9495 12.4076 7.03958 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 9.62879 8.96553 8.4069 4.36226 7.18019 8.53529 12.4058 6.23795 12.9016 8.44009 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 4.29582 7.07399 11.7302 9.88835 11.0528 16.8845 5.89412 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 9.97507 6.82505 5.17568 12.1303 7.48342 11.2317 18.3783 11.7498 16.3521 6.42748 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 10.4366 6.93532 16.9082 15.8605 10.4852 21.3166 6.72833 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 8.4674 7.82074 10.3915 9.74255 8.40416 12.3215 4.54938 7.67038 5.03957 7.75618 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 4.97119 6.41575 10.741 6.864 5.80928 7.07775 6.41423 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 9.74255 7.75618 12.3215 8.4674 7.67038 10.3915 8.40416 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 6.864 7.20519 7.07775 4.97119 6.41423 10.741 4.54938 5.80928 7.34551 6.41575 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 15.5324 15.5315 14.6259 8.4051 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 13.2433 11.4989 15.4364 6.73939 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 15.5324 14.6259 15.5315 8.4051 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 8.86116 6.86014 10.0952 13.4893 9.44691 15.8209 15.5324 14.6259 15.5315 8.75662 numMergedOcc 0
15 mol 24 unq 4 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 15.5324 11.4989 19.2131 9.41441 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 11.9561 15.5644 16.1048 8.87757 numMergedOcc 0
17 mol 25 unq 1 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 11.9561 16.1048 15.5644 8.87757 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 5.78774 9.92355 5.93884 6.35756 5.35073 4.81926 7.68678 numMergedOcc 0
19 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 5.78774 9.92355 7.68678 6.62496 5.30792 4.81926 5.93884 numMergedOcc 0
20 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 5.78774 5.93884 9.92355 6.35756 4.81926 5.35073 7.68678 numMergedOcc 0
21 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 5.78774 5.93884 7.68678 6.86465 5.30792 5.35073 9.92355 numMergedOcc 0
22 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 5.78774 7.68678 9.92355 6.62496 4.81926 5.30792 5.93884 numMergedOcc 0
23 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 5.78774 7.68678 5.93884 6.86465 5.35073 5.30792 9.92355 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 6.19965 7.97049 5.42586 8.09967 7.54568 10.0796 11.2656 10.1164 6.87425 9.39864 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 4.65335 7.54568 10.0796 5.73196 10.1164 6.87425 9.39864 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 5.73196 7.47541 6.87425 4.65335 9.39864 10.0796 7.66905 10.1164 5.42586 7.54568 numMergedOcc 0
27 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 6.10456 8.40073 9.42358 4.47349 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 10.1136 10.2427 13.9786 5.65185 numMergedOcc 0
29 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 10.1136 10.2427 5.02887 5.65185 numMergedOcc 0
30 mol 98 unq 3 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 10.1136 5.02887 10.2427 5.65185 numMergedOcc 0
31 mol 98 unq 4 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 5.08437 8.40073 9.51923 6.7117 numMergedOcc 0
32 mol 98 unq 5 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 10.1136 5.02887 13.9786 5.65185 numMergedOcc 0
33 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 10.6848 7.10378 14.8081 10.1489 10.8586 10.8375 7.80975 numMergedOcc 0
34 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 10.6848 7.10378 15.2289 10.1489 10.8586 15.1999 7.80975 numMergedOcc 0
35 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 12.2861 8.30845 10.6086 12.0662 5.88134 7.1752 7.01812 numMergedOcc 0
36 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 12.2861 8.30845 18.1777 12.0662 5.88134 14.8365 7.01812 numMergedOcc 0
37 mol 115 unq 0 iso 0 dist 5.11551 7.11972 6.5838 6.77806 6.92026 5.88249 11.8863 10.5564 5.67807 6.97707 numMergedOcc 0
38 mol 115 unq 1 iso 0 dist 7.11972 5.11551 6.5838 6.77806 5.88249 6.92026 11.8863 5.67807 10.5564 6.97707 numMergedOcc 0
39 mol 115 unq 2 iso 0 dist 6.90986 5.39945 5.67807 5.31484 5.88249 6.97707 11.4095 6.5838 10.5564 6.92026 numMergedOcc 0
40 mol 115 unq 3 iso 0 dist 5.39945 6.90986 5.67807 5.31484 6.97707 5.88249 11.4095 10.5564 6.5838 6.92026 numMergedOcc 0
41 mol 133 unq 0 iso 0 dist 9.91388 9.52634 6.69554 4.34568 9.97654 6.66772 7.24514 6.761 7.6656 7.71248 numMergedOcc 0
42 mol 133 unq 1 iso 0 dist 9.91388 7.24514 6.761 4.34568 9.97654 7.71248 9.52634 6.69554 7.6656 6.66772 numMergedOcc 0
43 mol 133 unq 2 iso 0 dist 9.52634 9.91388 6.69554 4.34568 6.66772 9.97654 7.24514 7.6656 6.761 7.71248 numMergedOcc 0
44 mol 133 unq 3 iso 0 dist 9.52634 7.24514 7.6656 4.34568 6.66772 7.71248 9.91388 6.69554 6.761 9.97654 numMergedOcc 0
45 mol 133 unq 4 iso 0 dist 7.24514 9.91388 6.761 4.34568 7.71248 9.97654 9.52634 7.6656 6.69554 6.66772 numMergedOcc 0
46 mol 133 unq 5 iso 0 dist 7.24514 9.52634 7.6656 4.34568 7.71248 6.66772 9.91388 6.761 6.69554 9.97654 numMergedOcc 0
47 mol 133 unq 6 iso 0 dist 8.22656 6.82262 5.61668 10.6025 7.71248 12.4749 10.0372 6.761 8.28069 9.97654 numMergedOcc 0
48 mol 133 unq 7 iso 0 dist 8.22656 6.82262 5.61668 10.6025 7.71248 12.4749 13.4163 7.6656 12.4308 6.66772 numMergedOcc 0
49 mol 133 unq 8 iso 0 dist 6.29155 8.00618 11.965 4.54648 6.16242 10.9061 6.80239 7.81217 7.79672 5.87634 numMergedOcc 0
50 mol 133 unq 9 iso 0 dist 6.80239 8.00618 7.79672 4.54648 5.87634 10.9061 6.29155 7.81217 11.965 6.16242 numMergedOcc 0
51 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.71679 7.69991 6.23142 12.5075 11.3271 6.81259 9.94764 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 11.9139 5.00526 11.3271 7.69991 numMergedOcc 0
53 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 9.5126 5.00526 11.3271 7.69991 numMergedOcc 0
54 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 5.71679 6.23142 7.69991 12.5075 6.81259 11.3271 9.94764 numMergedOcc 0
55 mol 134 unq 4 iso 0 dist 6.49416 8.94367 8.80819 9.87376 7.80532 10.5252 9.93925 5.79898 6.86927 5.83771 numMergedOcc 0
56 mol 134 unq 5 iso 0 dist 6.49416 6.37586 5.00817 9.87376 7.80532 10.7586 9.93925 5.79898 7.11631 5.83771 numMergedOcc 0
57 mol 134 unq 6 iso 0 dist 9.86662 8.94367 6.81259 4.57832 9.94764 6.23142 11.9139 11.3271 5.00526 7.69991 numMergedOcc 0
58 mol 134 unq 7 iso 0 dist 9.71307 6.37586 6.81259 5.29786 9.94764 6.23142 9.5126 11.3271 5.00526 7.69991 numMergedOcc 0
59 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 11.9952 9.47433 14.7758 10.4649 5.76755 11.1775 6.30021 numMergedOcc 0
60 mol 156 unq 1 iso 0 dist 7.44554 9.83699 8.38403 5.4555 9.44367 10.3379 8.94056 5.56175 11.2719 7.90267 numMergedOcc 0
61 mol 156 unq 2 iso 0 dist 7.44554 9.83699 8.38403 11.9952 9.47433 13.0431 10.4649 5.76755 7.60354 6.30021 numMergedOcc 0
62 mol 156 unq 3 iso 0 dist 8.94056 9.83699 11.2719 5.4555 7.90267 10.3379 7.44554 5.56175 8.38403 9.44367 numMergedOcc 0
63 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.6251 6.2479 7.99195 9.94371 6.01247 12.6324 6.22122 numMergedOcc 0
64 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 6.6251 6.2479 12.8533 9.94371 6.01247 16.5106 6.22122 numMergedOcc 0
65 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.6251 6.2479 12.8533 5.98885 8.88798 5.16002 7.99195 numMergedOcc 0
66 mol 181 unq 3 iso 0 dist 5.98885 9.1374 8.88798 6.6251 7.99195 6.2479 9.94371 12.6324 6.01247 6.22122 numMergedOcc 0
67 mol 181 unq 4 iso 0 dist 5.98885 9.15386 5.16002 6.6251 7.99195 12.8533 9.1374 8.88798 12.1628 6.2479 numMergedOcc 0
68 mol 181 unq 5 iso 0 dist 5.98885 9.15386 5.16002 6.6251 7.99195 12.8533 9.94371 12.6324 16.5106 6.22122 numMergedOcc 0
69 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 11.7429 8.73217 17.7621 16.3985 14.5862 18.6882 7.76163 numMergedOcc 0
70 mol 186 unq 1 iso 0 dist 7.54065 8.87694 5.74635 11.7429 8.73217 14.2425 16.3985 14.5862 20.2787 7.76163 numMergedOcc 0
71 mol 258 unq 0 iso 0 dist 6.60405 6.42289 7.26417 5.63675 7.21311 11.2102 10.5548 12.321 15.3294 9.63959 numMergedOcc 0
72 mol 258 unq 1 iso 0 dist 6.60405 6.42289 7.26417 5.63675 7.21311 11.2102 14.3043 10.7374 17.8129 9.96262 numMergedOcc 0
73 mol 259 unq 0 iso 0 dist 8.13497 8.53687 10.582 8.41846 7.98231 15.5791 10.3935 6.96053 15.7715 7.08526 numMergedOcc 0
74 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 8.81835 7.98231 11.6972 7.46176 6.96053 7.64658 7.08526 numMergedOcc 0
75 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 8.81835 7.98231 15.8414 7.46176 6.96053 10.5239 7.08526 numMergedOcc 0
76 mol 259 unq 3 iso 0 dist 7.46176 7.84554 7.64658 8.81835 7.08526 11.6972 7.88519 6.96053 4.86771 7.98231 numMergedOcc 0
77 mol 259 unq 4 iso 0 dist 7.46176 9.18903 10.5239 8.81835 7.08526 15.8414 7.88519 6.96053 10.4881 7.98231 numMergedOcc 0
78 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 5.29529 8.52587 11.6126 11.3168 11.3308 14.9562 6.39866 numMergedOcc 0
