0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 11.8172 11.0773 8.72114 6.58469 14.3576 8.60435 16.4405 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 8.72114 13.8829 11.8172 18.3807 6.02702 16.4405 22.1274 8.60435 6.58469 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 8.53529 4.36226 12.4076 10.9634 7.03958 8.79272 11.2076 7.27018 5.7531 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.96553 8.53529 4.36226 8.4069 9.62879 7.18019 8.79272 11.2076 7.27018 7.17012 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 8.96553 8.53529 4.36226 12.9016 12.4058 8.44009 8.79272 11.2076 7.27018 6.31881 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 9.62879 7.18019 4.36226 10.9495 10.9634 7.03958 7.17012 11.2076 7.27018 5.7531 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 9.62879 7.18019 4.36226 8.4069 8.96553 8.53529 7.17012 11.2076 7.27018 8.79272 numMergedOcc 0
7 mol 8 unq 5 iso 0 dist 9.62879 7.18019 4.36226 6.23795 12.4058 8.44009 7.17012 11.2076 7.27018 6.31881 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 8.4674 6.41575 4.64838 5.80928 4.51865 6.41423 5.18512 10.1882 6.39966 9.47529 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 4.54938 6.41575 4.97119 5.80928 6.864 6.41423 5.18512 6.92532 6.39966 9.47529 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 7.82074 6.41575 6.01808 5.80928 11.0366 6.41423 5.18512 6.36455 6.39966 9.47529 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 4.51865 6.41423 4.64838 5.80928 8.4674 6.41575 9.47529 10.1882 6.39966 5.18512 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 6.864 6.41423 4.97119 5.80928 4.54938 6.41575 9.47529 6.92532 6.39966 5.18512 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 12.0003 13.0257 4.90592 4.33963 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 6.00575 6.60423 9.36461 17.4067 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 12.0003 13.0257 4.90592 11.2106 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 6.00575 6.60423 9.36461 5.97304 numMergedOcc 0
17 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 11.1124 11.1214 6.2004 10.2913 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 11.2106 13.0257 4.90592 4.33963 numMergedOcc 0
19 mol 24 unq 6 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 5.97304 6.60423 9.36461 17.4067 numMergedOcc 0
20 mol 24 unq 7 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 11.2106 13.0257 4.90592 12.0003 numMergedOcc 0
21 mol 24 unq 8 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 5.97304 6.60423 9.36461 6.00575 numMergedOcc 0
22 mol 24 unq 9 iso 0 dist 8.86116 9.44691 13.4893 14.6259 15.5324 8.75662 11.2106 13.0257 8.16324 4.33963 numMergedOcc 0
23 mol 24 unq 10 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 11.1124 18.2639 6.2004 10.2913 numMergedOcc 0
24 mol 24 unq 11 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 11.2106 15.7639 4.90592 4.33963 numMergedOcc 0
25 mol 24 unq 12 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 5.97304 9.0934 9.36461 17.4067 numMergedOcc 0
26 mol 24 unq 13 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 11.2106 15.7639 4.90592 12.0003 numMergedOcc 0
27 mol 24 unq 14 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 5.97304 9.0934 9.36461 6.00575 numMergedOcc 0
28 mol 24 unq 15 iso 0 dist 8.38394 9.44691 12.505 14.6259 17.8264 8.75662 11.2106 15.7639 8.16324 4.33963 numMergedOcc 0
29 mol 24 unq 16 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 4.33963 4.93188 4.90592 12.0003 numMergedOcc 0
30 mol 24 unq 17 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 17.4067 14.156 9.36461 6.00575 numMergedOcc 0
31 mol 24 unq 18 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 4.33963 4.93188 4.90592 11.2106 numMergedOcc 0
32 mol 24 unq 19 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 17.4067 14.156 9.36461 5.97304 numMergedOcc 0
33 mol 24 unq 20 iso 0 dist 5.54419 8.75662 10.8238 14.6259 13.2433 9.44691 4.33963 4.93188 8.16324 11.2106 numMergedOcc 0
34 mol 24 unq 21 iso 0 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 10.2913 15.5937 6.2004 11.1124 numMergedOcc 0
35 mol 24 unq 22 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 4.33963 9.24958 4.90592 12.0003 numMergedOcc 0
36 mol 24 unq 23 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 17.4067 20.2475 9.36461 6.00575 numMergedOcc 0
37 mol 24 unq 24 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 4.33963 9.24958 4.90592 11.2106 numMergedOcc 0
38 mol 24 unq 25 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 17.4067 20.2475 9.36461 5.97304 numMergedOcc 0
39 mol 24 unq 26 iso 0 dist 7.36323 8.75662 6.7828 14.6259 15.5296 9.44691 4.33963 9.24958 8.16324 11.2106 numMergedOcc 0
40 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 8.40073 6.10456 4.47349 7.32662 7.26086 8.43352 6.934 numMergedOcc 0
41 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 10.2427 10.1136 5.65185 7.32662 7.26086 8.43352 7.17433 numMergedOcc 0
42 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 8.40073 5.08437 6.7117 6.934 7.26086 8.43352 7.32662 numMergedOcc 0
43 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 5.02887 10.1136 5.65185 6.934 7.26086 8.43352 7.17433 numMergedOcc 0
44 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 4.85907 10.3704 9.11344 3.78311 7.77116 8.8562 4.99056 numMergedOcc 0
45 mol 119 unq 1 iso 0 dist 9.87172 9.11344 10.9441 4.85907 12.6489 6.52773 4.99056 13.1741 8.8562 3.78311 numMergedOcc 0
46 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 8.38345 14.387 8.78276 14.206 13.2004 9.13191 13.4409 numMergedOcc 0
47 mol 130 unq 1 iso 0 dist 9.28393 7.96646 6.73735 10.0969 14.2551 7.88805 14.206 13.2004 9.13191 9.44878 numMergedOcc 0
48 mol 130 unq 2 iso 0 dist 9.28393 7.96646 6.73735 10.7116 12.2375 7.90048 14.206 13.2004 9.13191 4.28797 numMergedOcc 0
49 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 5.00526 9.93925 6.23142 13.1292 13.6079 9.30061 9.4027 numMergedOcc 0
50 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 13.1292 13.6079 9.30061 5.12325 numMergedOcc 0
51 mol 134 unq 2 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 13.1292 13.846 9.30061 9.4027 numMergedOcc 0
52 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 13.1292 13.846 9.30061 5.12325 numMergedOcc 0
53 mol 134 unq 4 iso 0 dist 8.94367 6.23142 4.57832 5.00526 11.9139 7.69991 9.4027 8.20836 9.30061 13.1292 numMergedOcc 0
54 mol 134 unq 5 iso 0 dist 8.94367 6.23142 4.57832 6.81259 9.86662 9.94764 9.4027 8.20836 9.30061 5.12325 numMergedOcc 0
55 mol 134 unq 6 iso 0 dist 6.37586 6.23142 5.29786 5.00526 9.5126 7.69991 9.4027 10.873 9.30061 13.1292 numMergedOcc 0
56 mol 134 unq 7 iso 0 dist 6.37586 6.23142 5.29786 6.81259 9.71307 9.94764 9.4027 10.873 9.30061 5.12325 numMergedOcc 0
57 mol 134 unq 8 iso 0 dist 6.49416 6.23142 5.71679 5.00526 6.54501 7.69991 9.4027 13.846 9.30061 13.1292 numMergedOcc 0
58 mol 134 unq 9 iso 0 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 9.4027 13.846 9.30061 5.12325 numMergedOcc 0
59 mol 134 unq 10 iso 0 dist 9.86662 9.94764 4.57832 11.3271 11.9139 7.69991 5.12325 8.20836 9.30061 13.1292 numMergedOcc 0
60 mol 134 unq 11 iso 0 dist 9.86662 9.94764 4.57832 6.81259 8.94367 6.23142 5.12325 8.20836 9.30061 9.4027 numMergedOcc 0
61 mol 134 unq 12 iso 0 dist 9.71307 9.94764 5.29786 11.3271 9.5126 7.69991 5.12325 10.873 9.30061 13.1292 numMergedOcc 0
62 mol 134 unq 13 iso 0 dist 9.71307 9.94764 5.29786 6.81259 6.37586 6.23142 5.12325 10.873 9.30061 9.4027 numMergedOcc 0
63 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 6.56633 10.5803 8.50102 8.25884 7.83711 6.57921 5.8023 numMergedOcc 0
64 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 11.3308 11.3168 6.39866 5.90436 9.56685 8.2997 10.4342 numMergedOcc 0
65 mol 278 unq 0 iso 0 dist 8.44326 8.00673 4.97614 8.29447 10.6095 6.62841 6.54009 10.8604 7.21972 5.73336 numMergedOcc 0
