0 mol 5 unq 0 iso 0 dist 7.56866 9.22067 5.30421 6.62108 8.68577 9.70883 13.7673 10.4477 9.22937 8.87945 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.22067 7.56866 5.30421 6.62108 9.70883 8.68577 13.7673 9.22937 10.4477 8.87945 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.49537 9.85529 11.966 14.7887 9.70883 16.8353 13.3054 9.22937 9.89321 8.87945 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 5.42412 8.09862 3.70336 9.64948 8.53424 7.08766 15.209 16.4255 16.0765 9.2146 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 5.42412 8.89114 5.1533 9.64948 8.53424 4.82199 15.209 16.4255 13.6412 9.2146 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 8.09862 5.42412 3.70336 9.64948 7.08766 8.53424 15.209 16.0765 16.4255 9.2146 numMergedOcc 0
6 mol 28 unq 3 iso 0 dist 8.09862 8.89114 3.0988 9.64948 7.08766 4.82199 15.209 16.0765 13.6412 9.2146 numMergedOcc 0
7 mol 28 unq 4 iso 0 dist 8.97167 8.8182 3.0988 10.1805 7.08766 4.82199 18.206 16.0765 13.6412 9.2146 numMergedOcc 0
8 mol 28 unq 5 iso 0 dist 8.89114 5.42412 5.1533 9.64948 4.82199 8.53424 15.209 13.6412 16.4255 9.2146 numMergedOcc 0
9 mol 28 unq 6 iso 0 dist 8.89114 8.09862 3.0988 9.64948 4.82199 7.08766 15.209 13.6412 16.0765 9.2146 numMergedOcc 0
10 mol 28 unq 7 iso 0 dist 8.8182 8.97167 3.0988 10.1805 4.82199 7.08766 18.206 13.6412 16.0765 9.2146 numMergedOcc 0
11 mol 30 unq 0 iso 0 dist 9.11745 4.62145 6.09772 3.90342 9.63882 6.87277 7.13565 3.08756 3.30447 8.67216 numMergedOcc 0
12 mol 30 unq 1 iso 0 dist 9.11745 9.71995 11.1844 3.90342 9.63882 11.3258 7.13565 3.08756 10.8938 8.67216 numMergedOcc 0
13 mol 30 unq 2 iso 0 dist 4.62145 9.11745 6.09772 3.90342 6.87277 9.63882 7.13565 3.30447 3.08756 8.67216 numMergedOcc 0
14 mol 30 unq 3 iso 0 dist 4.62145 9.71995 11.2187 3.90342 6.87277 11.3258 7.13565 3.30447 10.8938 8.67216 numMergedOcc 0
15 mol 48 unq 0 iso 0 dist 7.33788 9.74351 4.78728 3.85292 4.22002 8.10774 10.4843 4.88527 5.56357 7.78689 numMergedOcc 0
16 mol 48 unq 1 iso 0 dist 7.33788 7.36877 5.61785 3.85292 4.22002 6.5241 10.4843 4.88527 9.94951 7.78689 numMergedOcc 0
17 mol 48 unq 2 iso 0 dist 9.74351 7.33788 4.78728 3.85292 8.10774 4.22002 10.4843 5.56357 4.88527 7.78689 numMergedOcc 0
18 mol 48 unq 3 iso 0 dist 9.74351 7.36877 6.20957 3.85292 8.10774 6.5241 10.4843 5.56357 9.94951 7.78689 numMergedOcc 0
19 mol 48 unq 4 iso 0 dist 7.36877 7.33788 5.61785 3.85292 6.5241 4.22002 10.4843 9.94951 4.88527 7.78689 numMergedOcc 0
20 mol 48 unq 5 iso 0 dist 7.36877 9.74351 6.20957 3.85292 6.5241 8.10774 10.4843 9.94951 5.56357 7.78689 numMergedOcc 0
21 mol 48 unq 6 iso 0 dist 8.52681 9.98769 4.78728 6.44604 4.22002 8.10774 8.8645 4.88527 5.56357 7.78689 numMergedOcc 0
22 mol 48 unq 7 iso 0 dist 9.98769 8.52681 4.78728 6.44604 8.10774 4.22002 8.8645 5.56357 4.88527 7.78689 numMergedOcc 0
23 mol 48 unq 8 iso 0 dist 9.21776 6.89752 6.29252 3.72746 8.14245 6.36817 10.0593 5.43784 9.7018 7.70645 numMergedOcc 0
24 mol 48 unq 9 iso 0 dist 9.21776 6.85843 4.73799 3.72746 8.14245 4.17933 10.0593 5.43784 4.57947 7.70645 numMergedOcc 0
25 mol 48 unq 10 iso 0 dist 6.89752 9.21776 6.29252 3.72746 6.36817 8.14245 10.0593 9.7018 5.43784 7.70645 numMergedOcc 0
26 mol 48 unq 11 iso 0 dist 6.89752 6.85843 5.553 3.72746 6.36817 4.17933 10.0593 9.7018 4.57947 7.70645 numMergedOcc 0
27 mol 48 unq 12 iso 0 dist 6.85843 9.21776 4.73799 3.72746 4.17933 8.14245 10.0593 4.57947 5.43784 7.70645 numMergedOcc 0
28 mol 48 unq 13 iso 0 dist 6.85843 6.89752 5.553 3.72746 4.17933 6.36817 10.0593 4.57947 9.7018 7.70645 numMergedOcc 0
29 mol 48 unq 14 iso 0 dist 9.40291 7.94814 4.73799 6.4561 8.14245 4.17933 8.3491 5.43784 4.57947 7.70645 numMergedOcc 0
30 mol 48 unq 15 iso 0 dist 9.40291 9.55632 7.19576 6.4561 8.14245 5.54893 8.3491 5.43784 4.60843 7.70645 numMergedOcc 0
31 mol 48 unq 16 iso 0 dist 7.94814 9.40291 4.73799 6.4561 4.17933 8.14245 8.3491 4.57947 5.43784 7.70645 numMergedOcc 0
32 mol 48 unq 17 iso 0 dist 7.94814 9.55632 3.18526 6.4561 4.17933 5.54893 8.3491 4.57947 4.60843 7.70645 numMergedOcc 0
33 mol 48 unq 18 iso 0 dist 9.55632 9.40291 7.19576 6.4561 5.54893 8.14245 8.3491 4.60843 5.43784 7.70645 numMergedOcc 0
34 mol 48 unq 19 iso 0 dist 9.55632 7.94814 3.18526 6.4561 5.54893 4.17933 8.3491 4.60843 4.57947 7.70645 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 6.38786 9.31435 10.2275 3.66518 4.3855 10.8164 9.78214 5.94217 12.3412 6.60366 numMergedOcc 0
36 mol 147 unq 0 iso 0 dist 6.42361 7.4121 3.00464 3.7035 3.82583 5.19116 8.0732 5.19008 5.27556 7.7464 numMergedOcc 0
37 mol 147 unq 1 iso 0 dist 6.42361 7.4121 3.00464 3.7035 3.82583 5.19116 5.93918 3.7729 6.34165 5.12272 numMergedOcc 0
38 mol 147 unq 2 iso 0 dist 6.42361 7.4121 3.00464 3.20279 8.25768 8.71702 5.93918 3.7729 6.34165 8.7121 numMergedOcc 0
39 mol 147 unq 3 iso 0 dist 7.4121 6.42361 3.00464 3.7035 5.19116 3.82583 8.0732 5.27556 5.19008 7.7464 numMergedOcc 0
40 mol 147 unq 4 iso 0 dist 7.4121 6.42361 3.00464 3.7035 5.19116 3.82583 5.93918 6.34165 3.7729 5.12272 numMergedOcc 0
41 mol 147 unq 5 iso 0 dist 7.4121 6.42361 3.00464 3.20279 8.71702 8.25768 5.93918 6.34165 3.7729 8.7121 numMergedOcc 0
42 mol 168 unq 0 iso 0 dist 5.64732 5.52214 6.37254 3.60864 5.86767 5.28353 8.18217 6.06538 10.919 7.0961 numMergedOcc 0
43 mol 168 unq 1 iso 0 dist 5.64732 5.52214 6.37254 3.60864 5.86767 5.28353 5.51167 9.99868 6.91388 8.21227 numMergedOcc 0
44 mol 168 unq 2 iso 0 dist 5.64732 5.52214 6.37254 3.60864 5.86767 5.28353 9.35431 10.7133 6.65321 6.53038 numMergedOcc 0
45 mol 168 unq 3 iso 0 dist 5.64732 5.80055 8.38976 3.60864 5.86767 8.89343 8.18217 6.06538 13.0096 7.0961 numMergedOcc 0
46 mol 168 unq 4 iso 0 dist 5.64732 5.80055 8.38976 3.60864 5.86767 8.89343 5.51167 9.99868 3.5168 8.21227 numMergedOcc 0
47 mol 168 unq 5 iso 0 dist 5.64732 5.80055 8.38976 3.60864 5.86767 8.89343 9.35431 10.7133 12.7848 6.53038 numMergedOcc 0
48 mol 168 unq 6 iso 0 dist 5.64732 7.44481 8.62142 3.60864 5.86767 9.52186 8.18217 6.06538 14.104 7.0961 numMergedOcc 0
49 mol 168 unq 7 iso 0 dist 5.64732 7.44481 8.62142 3.60864 5.86767 9.52186 5.51167 9.99868 5.43054 8.21227 numMergedOcc 0
50 mol 168 unq 8 iso 0 dist 5.64732 7.44481 8.62142 3.60864 5.86767 9.52186 9.35431 10.7133 11.8704 6.53038 numMergedOcc 0
51 mol 168 unq 9 iso 0 dist 5.52214 5.64732 6.37254 3.60864 5.28353 5.86767 8.18217 10.919 6.06538 7.0961 numMergedOcc 0
52 mol 168 unq 10 iso 0 dist 5.52214 5.64732 6.37254 3.60864 5.28353 5.86767 5.51167 6.91388 9.99868 8.21227 numMergedOcc 0
53 mol 168 unq 11 iso 0 dist 5.52214 5.64732 6.37254 3.60864 5.28353 5.86767 9.35431 6.65321 10.7133 6.53038 numMergedOcc 0
54 mol 168 unq 12 iso 0 dist 5.52214 5.80055 6.81049 3.60864 5.28353 8.89343 8.18217 10.919 13.0096 7.0961 numMergedOcc 0
55 mol 168 unq 13 iso 0 dist 5.52214 5.80055 6.81049 3.60864 5.28353 8.89343 5.51167 6.91388 3.5168 8.21227 numMergedOcc 0
56 mol 168 unq 14 iso 0 dist 5.52214 5.80055 6.81049 3.60864 5.28353 8.89343 9.35431 6.65321 12.7848 6.53038 numMergedOcc 0
57 mol 168 unq 15 iso 0 dist 5.52214 7.44481 5.50898 3.60864 5.28353 9.52186 8.18217 10.919 14.104 7.0961 numMergedOcc 0
58 mol 168 unq 16 iso 0 dist 5.52214 7.44481 5.50898 3.60864 5.28353 9.52186 5.51167 6.91388 5.43054 8.21227 numMergedOcc 0
59 mol 168 unq 17 iso 0 dist 5.52214 7.44481 5.50898 3.60864 5.28353 9.52186 9.35431 6.65321 11.8704 6.53038 numMergedOcc 0
60 mol 266 unq 0 iso 0 dist 9.90506 8.61077 5.76129 4.39553 6.96692 8.25286 9.51145 3.68488 3.14784 8.20376 numMergedOcc 0
61 mol 266 unq 1 iso 0 dist 9.90506 9.11585 8.75066 4.39553 6.96692 9.9965 9.51145 3.68488 5.95721 8.20376 numMergedOcc 0
62 mol 266 unq 2 iso 0 dist 6.39822 5.36518 3.00605 10.1418 7.8598 7.80711 8.9221 3.14784 5.95721 7.72861 numMergedOcc 0
63 mol 266 unq 3 iso 0 dist 6.39822 5.36518 3.00605 7.63149 8.25286 9.9965 8.9221 3.14784 5.95721 8.20376 numMergedOcc 0
64 mol 266 unq 4 iso 0 dist 8.61077 9.90506 5.76129 10.3155 7.8598 10.9313 9.51145 3.14784 3.68488 7.72861 numMergedOcc 0
65 mol 266 unq 5 iso 0 dist 8.61077 9.90506 5.76129 4.39553 8.25286 6.96692 9.51145 3.14784 3.68488 8.20376 numMergedOcc 0
66 mol 266 unq 6 iso 0 dist 8.61077 9.11585 3.00605 10.3155 7.8598 7.80711 9.51145 3.14784 5.95721 7.72861 numMergedOcc 0
67 mol 266 unq 7 iso 0 dist 8.61077 9.11585 3.00605 4.39553 8.25286 9.9965 9.51145 3.14784 5.95721 8.20376 numMergedOcc 0
68 mol 266 unq 8 iso 0 dist 5.36518 6.39822 3.00605 10.1418 7.80711 7.8598 8.9221 5.95721 3.14784 7.72861 numMergedOcc 0
69 mol 266 unq 9 iso 0 dist 5.36518 6.39822 3.00605 7.63149 9.9965 8.25286 8.9221 5.95721 3.14784 8.20376 numMergedOcc 0
70 mol 266 unq 10 iso 0 dist 9.11585 9.90506 8.75066 10.3155 7.80711 10.9313 9.51145 5.95721 3.68488 7.72861 numMergedOcc 0
71 mol 266 unq 11 iso 0 dist 9.11585 9.90506 8.75066 4.39553 9.9965 6.96692 9.51145 5.95721 3.68488 8.20376 numMergedOcc 0
72 mol 266 unq 12 iso 0 dist 9.11585 8.61077 3.00605 10.3155 7.80711 7.8598 9.51145 5.95721 3.14784 7.72861 numMergedOcc 0
73 mol 266 unq 13 iso 0 dist 9.11585 8.61077 3.00605 4.39553 9.9965 8.25286 9.51145 5.95721 3.14784 8.20376 numMergedOcc 0
74 mol 277 unq 0 iso 0 dist 8.90967 6.40861 3.75238 16.883 7.98956 11.2004 18.819 10.5214 14.236 5.13533 numMergedOcc 0
75 mol 287 unq 0 iso 0 dist 7.82157 8.39976 13.001 5.15725 6.24487 11.983 5.32839 5.96434 7.33038 6.22311 numMergedOcc 0
76 mol 288 unq 0 iso 0 dist 7.82157 8.39976 13.001 5.15725 6.24487 11.983 5.32839 5.96434 7.33038 6.22311 numMergedOcc 0
77 mol 289 unq 0 iso 0 dist 7.82157 8.39976 13.001 5.15725 6.24487 11.983 5.32839 5.96434 7.33038 6.22311 numMergedOcc 0
