0 mol 8 unq 0 iso 0 dist 8.96553 8.53529 4.36226 12.4076 10.9634 7.03958 8.4069 9.62879 7.18019 10.9495 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 8.96553 8.53529 4.36226 8.4069 9.62879 7.18019 12.4076 10.9634 7.03958 10.9495 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.96553 8.53529 4.36226 12.4076 10.9634 7.03958 12.9016 12.4058 8.44009 8.09332 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 8.96553 8.53529 4.36226 12.9016 12.4058 8.44009 12.4076 10.9634 7.03958 8.09332 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 8.96553 8.53529 4.36226 8.4069 9.62879 7.18019 12.9016 12.4058 8.44009 6.23795 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 8.96553 8.53529 4.36226 12.9016 12.4058 8.44009 8.4069 9.62879 7.18019 6.23795 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 9.62879 7.18019 4.36226 10.9495 10.9634 7.03958 8.4069 8.96553 8.53529 12.4076 numMergedOcc 0
7 mol 8 unq 2 iso 1 dist 9.62879 7.18019 4.36226 8.4069 8.96553 8.53529 10.9495 10.9634 7.03958 12.4076 numMergedOcc 0
8 mol 8 unq 3 iso 0 dist 9.62879 7.18019 4.36226 10.9495 10.9634 7.03958 6.23795 12.4058 8.44009 8.09332 numMergedOcc 0
9 mol 8 unq 3 iso 1 dist 9.62879 7.18019 4.36226 6.23795 12.4058 8.44009 10.9495 10.9634 7.03958 8.09332 numMergedOcc 0
10 mol 8 unq 3 iso 0 dist 9.62879 7.18019 4.36226 8.4069 8.96553 8.53529 6.23795 12.4058 8.44009 12.9016 numMergedOcc 0
11 mol 8 unq 3 iso 1 dist 9.62879 7.18019 4.36226 6.23795 12.4058 8.44009 8.4069 8.96553 8.53529 12.9016 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 10.0952 8.86116 8.60554 14.6259 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 15.5315 15.5324 8.4051 14.6259 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 10.0952 6.86014 7.29868 15.5315 numMergedOcc 0
15 mol 24 unq 1 iso 1 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 14.6259 15.5324 8.4051 15.5315 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 10.0952 12.5077 7.29868 15.5315 numMergedOcc 0
17 mol 24 unq 2 iso 1 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 14.6259 17.8264 8.4051 15.5315 numMergedOcc 0
18 mol 24 unq 3 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 14.6259 13.2433 8.60554 10.0952 numMergedOcc 0
19 mol 24 unq 3 iso 1 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 15.5315 11.0194 7.29868 10.0952 numMergedOcc 0
20 mol 24 unq 4 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 14.6259 15.5296 8.60554 10.0952 numMergedOcc 0
21 mol 24 unq 4 iso 1 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 15.5315 20.3888 7.29868 10.0952 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 16.1048 12.8117 7.55264 4.33106 numMergedOcc 0
23 mol 25 unq 0 iso 1 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 15.5644 12.7009 8.50222 4.33106 numMergedOcc 0
24 mol 25 unq 1 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 4.33106 7.17969 7.55264 16.1048 numMergedOcc 0
25 mol 25 unq 1 iso 1 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 15.5644 11.9561 8.87757 16.1048 numMergedOcc 0
26 mol 25 unq 2 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 4.33106 7.57578 8.50222 15.5644 numMergedOcc 0
27 mol 25 unq 2 iso 1 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 16.1048 11.9561 8.87757 15.5644 numMergedOcc 0
28 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 5.30792 6.62496 5.93884 5.35073 6.35756 7.68678 4.81926 numMergedOcc 0
29 mol 58 unq 0 iso 1 dist 6.86465 9.92355 5.78774 5.35073 6.35756 7.68678 5.30792 6.62496 5.93884 4.81926 numMergedOcc 0
30 mol 58 unq 1 iso 0 dist 6.62496 5.93884 5.78774 5.30792 6.86465 9.92355 4.81926 6.35756 7.68678 5.35073 numMergedOcc 0
31 mol 58 unq 1 iso 1 dist 6.62496 5.93884 5.78774 4.81926 6.35756 7.68678 5.30792 6.86465 9.92355 5.35073 numMergedOcc 0
32 mol 58 unq 2 iso 0 dist 6.35756 7.68678 5.78774 5.35073 6.86465 9.92355 4.81926 6.62496 5.93884 5.30792 numMergedOcc 0
33 mol 58 unq 2 iso 1 dist 6.35756 7.68678 5.78774 4.81926 6.62496 5.93884 5.35073 6.86465 9.92355 5.30792 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 8.40073 6.10456 4.47349 10.2427 10.1136 5.65185 5.02887 numMergedOcc 0
35 mol 98 unq 0 iso 1 dist 5.08437 6.7117 7.06961 10.2427 10.1136 5.65185 8.40073 6.10456 4.47349 5.02887 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 6.10456 4.47349 7.06961 8.40073 5.08437 6.7117 5.02887 10.1136 5.65185 10.2427 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 6.10456 4.47349 7.06961 5.02887 10.1136 5.65185 8.40073 5.08437 6.7117 10.2427 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 5.11551 6.92026 6.77806 6.5838 7.11972 5.88249 10.5564 11.8863 6.97707 5.67807 numMergedOcc 0
39 mol 115 unq 0 iso 1 dist 5.11551 6.92026 6.77806 10.5564 11.8863 6.97707 6.5838 7.11972 5.88249 5.67807 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 7.11972 5.88249 6.77806 6.5838 5.11551 6.92026 5.67807 11.8863 6.97707 10.5564 numMergedOcc 0
41 mol 115 unq 1 iso 1 dist 7.11972 5.88249 6.77806 5.67807 11.8863 6.97707 6.5838 5.11551 6.92026 10.5564 numMergedOcc 0
42 mol 115 unq 2 iso 0 dist 6.90986 5.88249 5.31484 6.5838 11.4095 6.92026 5.67807 5.39945 6.97707 10.5564 numMergedOcc 0
43 mol 115 unq 2 iso 1 dist 6.90986 5.88249 5.31484 5.67807 5.39945 6.97707 6.5838 11.4095 6.92026 10.5564 numMergedOcc 0
44 mol 115 unq 3 iso 0 dist 5.39945 6.97707 5.31484 10.5564 11.4095 6.92026 5.67807 6.90986 5.88249 6.5838 numMergedOcc 0
45 mol 115 unq 3 iso 1 dist 5.39945 6.97707 5.31484 5.67807 6.90986 5.88249 10.5564 11.4095 6.92026 6.5838 numMergedOcc 0
46 mol 125 unq 0 iso 0 dist 8.62381 9.3778 11.0769 5.20403 12.7528 9.08382 11.8325 17.1992 7.47069 9.34412 numMergedOcc 0
47 mol 125 unq 0 iso 1 dist 8.62381 9.3778 11.0769 11.8325 17.1992 7.47069 5.20403 12.7528 9.08382 9.34412 numMergedOcc 0
48 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 8.38345 14.387 8.78276 10.0969 14.2551 7.88805 4.5207 numMergedOcc 0
49 mol 130 unq 0 iso 1 dist 9.28393 7.96646 6.73735 10.0969 14.2551 7.88805 8.38345 14.387 8.78276 4.5207 numMergedOcc 0
50 mol 130 unq 1 iso 0 dist 9.28393 7.96646 6.73735 8.38345 14.387 8.78276 10.7116 12.2375 7.90048 10.5137 numMergedOcc 0
51 mol 130 unq 1 iso 1 dist 9.28393 7.96646 6.73735 10.7116 12.2375 7.90048 8.38345 14.387 8.78276 10.5137 numMergedOcc 0
52 mol 130 unq 1 iso 0 dist 9.28393 7.96646 6.73735 10.0969 14.2551 7.88805 10.7116 12.2375 7.90048 7.01619 numMergedOcc 0
53 mol 130 unq 1 iso 1 dist 9.28393 7.96646 6.73735 10.7116 12.2375 7.90048 10.0969 14.2551 7.88805 7.01619 numMergedOcc 0
54 mol 133 unq 0 iso 0 dist 6.5107 6.66772 7.12976 6.69554 9.66421 9.97654 7.6656 12.0352 7.71248 6.761 numMergedOcc 0
55 mol 133 unq 0 iso 1 dist 6.5107 6.66772 7.12976 7.6656 12.0352 7.71248 6.69554 9.66421 9.97654 6.761 numMergedOcc 0
56 mol 133 unq 1 iso 0 dist 9.91388 9.97654 4.34568 6.69554 9.52634 6.66772 6.761 7.24514 7.71248 7.6656 numMergedOcc 0
57 mol 133 unq 1 iso 1 dist 9.91388 9.97654 4.34568 6.761 7.24514 7.71248 6.69554 9.52634 6.66772 7.6656 numMergedOcc 0
58 mol 133 unq 2 iso 0 dist 9.52634 6.66772 4.34568 6.69554 9.91388 9.97654 7.6656 7.24514 7.71248 6.761 numMergedOcc 0
59 mol 133 unq 2 iso 1 dist 9.52634 6.66772 4.34568 7.6656 7.24514 7.71248 6.69554 9.91388 9.97654 6.761 numMergedOcc 0
60 mol 133 unq 3 iso 0 dist 7.24514 7.71248 4.34568 6.761 9.91388 9.97654 7.6656 9.52634 6.66772 6.69554 numMergedOcc 0
61 mol 133 unq 3 iso 1 dist 7.24514 7.71248 4.34568 7.6656 9.52634 6.66772 6.761 9.91388 9.97654 6.69554 numMergedOcc 0
62 mol 133 unq 4 iso 0 dist 8.22656 7.71248 10.6025 6.761 10.0372 9.97654 7.6656 13.4163 6.66772 6.69554 numMergedOcc 0
63 mol 133 unq 4 iso 1 dist 8.22656 7.71248 10.6025 7.6656 13.4163 6.66772 6.761 10.0372 9.97654 6.69554 numMergedOcc 0
64 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 5.00526 9.93925 6.23142 11.3271 14.423 9.94764 6.81259 numMergedOcc 0
65 mol 134 unq 0 iso 1 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 5.00526 9.93925 6.23142 6.81259 numMergedOcc 0
66 mol 134 unq 1 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 11.3271 12.5075 9.94764 6.81259 numMergedOcc 0
67 mol 134 unq 1 iso 1 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 5.00526 6.49416 6.23142 6.81259 numMergedOcc 0
68 mol 134 unq 2 iso 0 dist 8.94367 6.23142 4.57832 5.00526 11.9139 7.69991 6.81259 9.86662 9.94764 11.3271 numMergedOcc 0
69 mol 134 unq 2 iso 1 dist 8.94367 6.23142 4.57832 6.81259 9.86662 9.94764 5.00526 11.9139 7.69991 11.3271 numMergedOcc 0
70 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 5.00526 9.5126 7.69991 6.81259 9.71307 9.94764 11.3271 numMergedOcc 0
71 mol 134 unq 3 iso 1 dist 6.37586 6.23142 5.29786 6.81259 9.71307 9.94764 5.00526 9.5126 7.69991 11.3271 numMergedOcc 0
72 mol 134 unq 4 iso 0 dist 6.49416 6.23142 5.71679 5.00526 6.54501 7.69991 6.81259 12.5075 9.94764 11.3271 numMergedOcc 0
73 mol 134 unq 4 iso 1 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 5.00526 6.54501 7.69991 11.3271 numMergedOcc 0
74 mol 134 unq 5 iso 0 dist 9.86662 9.94764 4.57832 11.3271 11.9139 7.69991 6.81259 8.94367 6.23142 5.00526 numMergedOcc 0
75 mol 134 unq 5 iso 1 dist 9.86662 9.94764 4.57832 6.81259 8.94367 6.23142 11.3271 11.9139 7.69991 5.00526 numMergedOcc 0
76 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 11.3271 9.5126 7.69991 6.81259 6.37586 6.23142 5.00526 numMergedOcc 0
77 mol 134 unq 6 iso 1 dist 9.71307 9.94764 5.29786 6.81259 6.37586 6.23142 11.3271 9.5126 7.69991 5.00526 numMergedOcc 0
78 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 6.01247 9.94371 6.22122 8.88798 5.98885 7.99195 12.6324 numMergedOcc 0
79 mol 181 unq 0 iso 1 dist 9.1374 6.2479 6.6251 8.88798 5.98885 7.99195 6.01247 9.94371 6.22122 12.6324 numMergedOcc 0
80 mol 181 unq 1 iso 0 dist 8.03334 6.2479 7.81713 6.01247 10.9639 6.22122 8.88798 10.7062 7.99195 12.6324 numMergedOcc 0
81 mol 181 unq 1 iso 1 dist 8.03334 6.2479 7.81713 8.88798 10.7062 7.99195 6.01247 10.9639 6.22122 12.6324 numMergedOcc 0
82 mol 181 unq 2 iso 0 dist 5.98885 7.99195 6.6251 8.88798 9.1374 6.2479 12.6324 9.94371 6.22122 6.01247 numMergedOcc 0
83 mol 181 unq 2 iso 1 dist 5.98885 7.99195 6.6251 12.6324 9.94371 6.22122 8.88798 9.1374 6.2479 6.01247 numMergedOcc 0
84 mol 181 unq 3 iso 0 dist 9.09537 7.99195 10.09 8.88798 15.0228 6.2479 12.6324 16.2058 6.22122 6.01247 numMergedOcc 0
85 mol 181 unq 3 iso 1 dist 9.09537 7.99195 10.09 12.6324 16.2058 6.22122 8.88798 15.0228 6.2479 6.01247 numMergedOcc 0
86 mol 258 unq 0 iso 0 dist 6.60405 7.21311 5.63675 12.321 10.5548 9.63959 10.7374 14.3043 9.96262 12.4198 numMergedOcc 0
87 mol 258 unq 0 iso 1 dist 6.60405 7.21311 5.63675 10.7374 14.3043 9.96262 12.321 10.5548 9.63959 12.4198 numMergedOcc 0
