0 mol 5 unq 0 iso 0 dist 7.56866 6.62108 8.68577 13.7673 10.4477 8.87945 9.16196 3.50411 7.64769 6.98653 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.56866 6.62108 8.68577 13.7673 10.4477 8.87945 9.22067 5.30421 9.70883 9.22937 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.22067 6.62108 9.70883 13.7673 9.22937 8.87945 9.16196 4.84696 7.64769 6.98653 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 9.22067 6.62108 9.70883 13.7673 9.22937 8.87945 7.56866 5.30421 8.68577 10.4477 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 8.49537 14.7887 9.70883 13.3054 9.22937 8.87945 12.7615 4.84696 7.64769 6.98653 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 8.49537 14.7887 9.70883 13.3054 9.22937 8.87945 13.6912 5.30421 8.68577 10.4477 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 5.42412 9.64948 8.53424 15.209 16.4255 9.2146 8.09862 3.70336 7.08766 16.0765 numMergedOcc 0
7 mol 28 unq 1 iso 0 dist 5.42412 9.64948 8.53424 15.209 16.4255 9.2146 8.89114 5.1533 4.82199 13.6412 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 8.09862 9.64948 7.08766 15.209 16.0765 9.2146 5.42412 3.70336 8.53424 16.4255 numMergedOcc 0
9 mol 28 unq 3 iso 0 dist 8.09862 9.64948 7.08766 15.209 16.0765 9.2146 8.89114 3.0988 4.82199 13.6412 numMergedOcc 0
10 mol 28 unq 4 iso 0 dist 8.97167 10.1805 7.08766 18.206 16.0765 9.2146 12.664 3.70336 8.53424 16.4255 numMergedOcc 0
11 mol 28 unq 5 iso 0 dist 8.97167 10.1805 7.08766 18.206 16.0765 9.2146 8.8182 3.0988 4.82199 13.6412 numMergedOcc 0
12 mol 28 unq 6 iso 0 dist 8.89114 9.64948 4.82199 15.209 13.6412 9.2146 5.42412 5.1533 8.53424 16.4255 numMergedOcc 0
13 mol 28 unq 7 iso 0 dist 8.89114 9.64948 4.82199 15.209 13.6412 9.2146 8.09862 3.0988 7.08766 16.0765 numMergedOcc 0
14 mol 28 unq 8 iso 0 dist 8.8182 10.1805 4.82199 18.206 13.6412 9.2146 12.664 5.1533 8.53424 16.4255 numMergedOcc 0
15 mol 28 unq 9 iso 0 dist 8.8182 10.1805 4.82199 18.206 13.6412 9.2146 8.97167 3.0988 7.08766 16.0765 numMergedOcc 0
16 mol 30 unq 0 iso 0 dist 9.11745 3.90342 9.63882 7.13565 3.08756 8.67216 4.62145 6.09772 6.87277 3.30447 numMergedOcc 0
17 mol 30 unq 1 iso 0 dist 4.62145 3.90342 6.87277 7.13565 3.30447 8.67216 9.11745 6.09772 9.63882 3.08756 numMergedOcc 0
18 mol 48 unq 0 iso 0 dist 9.55284 8.48678 6.5241 12.7934 9.94951 7.78689 16.5407 10.1674 8.22812 9.26377 numMergedOcc 0
19 mol 48 unq 1 iso 0 dist 9.55284 8.48678 6.5241 12.7934 9.94951 7.78689 10.6828 5.61785 4.22002 4.88527 numMergedOcc 0
20 mol 48 unq 2 iso 0 dist 9.55284 8.48678 6.5241 12.7934 9.94951 7.78689 13.3984 8.43495 5.77855 4.76279 numMergedOcc 0
21 mol 48 unq 3 iso 0 dist 9.55284 8.48678 6.5241 12.7934 9.94951 7.78689 10.9118 6.20957 8.10774 5.56357 numMergedOcc 0
22 mol 48 unq 4 iso 0 dist 7.33788 3.85292 4.22002 10.4843 4.88527 7.78689 11.9578 6.87266 8.22812 9.26377 numMergedOcc 0
23 mol 48 unq 5 iso 0 dist 7.33788 3.85292 4.22002 10.4843 4.88527 7.78689 9.51079 3.23184 5.77855 4.76279 numMergedOcc 0
24 mol 48 unq 6 iso 0 dist 7.33788 3.85292 4.22002 10.4843 4.88527 7.78689 9.74351 4.78728 8.10774 5.56357 numMergedOcc 0
25 mol 48 unq 7 iso 0 dist 7.33788 3.85292 4.22002 10.4843 4.88527 7.78689 7.36877 5.61785 6.5241 9.94951 numMergedOcc 0
26 mol 48 unq 8 iso 0 dist 9.74351 3.85292 8.10774 10.4843 5.56357 7.78689 11.9578 10.9047 8.22812 9.26377 numMergedOcc 0
27 mol 48 unq 9 iso 0 dist 9.74351 3.85292 8.10774 10.4843 5.56357 7.78689 7.33788 4.78728 4.22002 4.88527 numMergedOcc 0
28 mol 48 unq 10 iso 0 dist 9.74351 3.85292 8.10774 10.4843 5.56357 7.78689 9.51079 7.18912 5.77855 4.76279 numMergedOcc 0
29 mol 48 unq 11 iso 0 dist 9.74351 3.85292 8.10774 10.4843 5.56357 7.78689 7.36877 6.20957 6.5241 9.94951 numMergedOcc 0
30 mol 48 unq 12 iso 0 dist 7.36877 3.85292 6.5241 10.4843 9.94951 7.78689 11.9578 10.1674 8.22812 9.26377 numMergedOcc 0
31 mol 48 unq 13 iso 0 dist 7.36877 3.85292 6.5241 10.4843 9.94951 7.78689 7.33788 5.61785 4.22002 4.88527 numMergedOcc 0
32 mol 48 unq 14 iso 0 dist 7.36877 3.85292 6.5241 10.4843 9.94951 7.78689 9.51079 8.43495 5.77855 4.76279 numMergedOcc 0
33 mol 48 unq 15 iso 0 dist 7.36877 3.85292 6.5241 10.4843 9.94951 7.78689 9.74351 6.20957 8.10774 5.56357 numMergedOcc 0
34 mol 48 unq 16 iso 0 dist 8.52681 6.44604 4.22002 8.8645 4.88527 7.78689 13.8065 6.87266 8.22812 9.26377 numMergedOcc 0
35 mol 48 unq 17 iso 0 dist 8.52681 6.44604 4.22002 8.8645 4.88527 7.78689 10.084 3.23184 5.77855 4.76279 numMergedOcc 0
36 mol 48 unq 18 iso 0 dist 8.52681 6.44604 4.22002 8.8645 4.88527 7.78689 9.98769 4.78728 8.10774 5.56357 numMergedOcc 0
37 mol 48 unq 19 iso 0 dist 8.52681 6.44604 4.22002 8.8645 4.88527 7.78689 10.9073 5.61785 6.5241 9.94951 numMergedOcc 0
38 mol 48 unq 20 iso 0 dist 9.98769 6.44604 8.10774 8.8645 5.56357 7.78689 13.8065 10.9047 8.22812 9.26377 numMergedOcc 0
39 mol 48 unq 21 iso 0 dist 9.98769 6.44604 8.10774 8.8645 5.56357 7.78689 8.52681 4.78728 4.22002 4.88527 numMergedOcc 0
40 mol 48 unq 22 iso 0 dist 9.98769 6.44604 8.10774 8.8645 5.56357 7.78689 10.084 7.18912 5.77855 4.76279 numMergedOcc 0
41 mol 48 unq 23 iso 0 dist 9.98769 6.44604 8.10774 8.8645 5.56357 7.78689 10.9073 6.20957 6.5241 9.94951 numMergedOcc 0
42 mol 48 unq 24 iso 0 dist 9.21776 3.72746 8.14245 10.0593 5.43784 7.70645 6.89752 6.29252 6.36817 9.7018 numMergedOcc 0
43 mol 48 unq 25 iso 0 dist 9.21776 3.72746 8.14245 10.0593 5.43784 7.70645 11.7175 10.8994 8.0812 8.95384 numMergedOcc 0
44 mol 48 unq 26 iso 0 dist 9.21776 3.72746 8.14245 10.0593 5.43784 7.70645 6.85843 4.73799 4.17933 4.57947 numMergedOcc 0
45 mol 48 unq 27 iso 0 dist 9.21776 3.72746 8.14245 10.0593 5.43784 7.70645 9.03709 7.19576 5.54893 4.60843 numMergedOcc 0
46 mol 48 unq 28 iso 0 dist 6.89752 3.72746 6.36817 10.0593 9.7018 7.70645 9.21776 6.29252 8.14245 5.43784 numMergedOcc 0
47 mol 48 unq 29 iso 0 dist 6.89752 3.72746 6.36817 10.0593 9.7018 7.70645 11.7175 9.94041 8.0812 8.95384 numMergedOcc 0
48 mol 48 unq 30 iso 0 dist 6.89752 3.72746 6.36817 10.0593 9.7018 7.70645 6.85843 5.553 4.17933 4.57947 numMergedOcc 0
49 mol 48 unq 31 iso 0 dist 6.89752 3.72746 6.36817 10.0593 9.7018 7.70645 9.03709 8.14415 5.54893 4.60843 numMergedOcc 0
50 mol 48 unq 32 iso 0 dist 6.85843 3.72746 4.17933 10.0593 4.57947 7.70645 9.21776 4.73799 8.14245 5.43784 numMergedOcc 0
51 mol 48 unq 33 iso 0 dist 6.85843 3.72746 4.17933 10.0593 4.57947 7.70645 6.89752 5.553 6.36817 9.7018 numMergedOcc 0
52 mol 48 unq 34 iso 0 dist 6.85843 3.72746 4.17933 10.0593 4.57947 7.70645 11.7175 6.96103 8.0812 8.95384 numMergedOcc 0
53 mol 48 unq 35 iso 0 dist 6.85843 3.72746 4.17933 10.0593 4.57947 7.70645 9.03709 3.18526 5.54893 4.60843 numMergedOcc 0
54 mol 48 unq 36 iso 0 dist 9.40291 6.4561 8.14245 8.3491 5.43784 7.70645 10.6705 6.29252 6.36817 9.7018 numMergedOcc 0
55 mol 48 unq 37 iso 0 dist 9.40291 6.4561 8.14245 8.3491 5.43784 7.70645 13.4464 10.8994 8.0812 8.95384 numMergedOcc 0
56 mol 48 unq 38 iso 0 dist 9.40291 6.4561 8.14245 8.3491 5.43784 7.70645 7.94814 4.73799 4.17933 4.57947 numMergedOcc 0
57 mol 48 unq 39 iso 0 dist 9.40291 6.4561 8.14245 8.3491 5.43784 7.70645 9.55632 7.19576 5.54893 4.60843 numMergedOcc 0
58 mol 48 unq 40 iso 0 dist 7.94814 6.4561 4.17933 8.3491 4.57947 7.70645 9.40291 4.73799 8.14245 5.43784 numMergedOcc 0
59 mol 48 unq 41 iso 0 dist 7.94814 6.4561 4.17933 8.3491 4.57947 7.70645 10.6705 5.553 6.36817 9.7018 numMergedOcc 0
60 mol 48 unq 42 iso 0 dist 7.94814 6.4561 4.17933 8.3491 4.57947 7.70645 13.4464 6.96103 8.0812 8.95384 numMergedOcc 0
61 mol 48 unq 43 iso 0 dist 7.94814 6.4561 4.17933 8.3491 4.57947 7.70645 9.55632 3.18526 5.54893 4.60843 numMergedOcc 0
62 mol 48 unq 44 iso 0 dist 9.55632 6.4561 5.54893 8.3491 4.60843 7.70645 9.40291 7.19576 8.14245 5.43784 numMergedOcc 0
63 mol 48 unq 45 iso 0 dist 9.55632 6.4561 5.54893 8.3491 4.60843 7.70645 10.6705 8.14415 6.36817 9.7018 numMergedOcc 0
64 mol 48 unq 46 iso 0 dist 9.55632 6.4561 5.54893 8.3491 4.60843 7.70645 13.4464 4.54874 8.0812 8.95384 numMergedOcc 0
65 mol 48 unq 47 iso 0 dist 9.55632 6.4561 5.54893 8.3491 4.60843 7.70645 7.94814 3.18526 4.17933 4.57947 numMergedOcc 0
66 mol 63 unq 0 iso 0 dist 6.42443 12.6017 9.13228 10.9406 10.1907 8.78414 15.0649 13.0286 8.14512 4.73277 numMergedOcc 0
67 mol 76 unq 0 iso 0 dist 9.50939 8.58474 7.66068 16.1719 9.50354 9.57759 13.4154 6.98219 9.5043 12.0331 numMergedOcc 0
68 mol 76 unq 1 iso 0 dist 9.50939 8.58474 7.66068 16.1719 9.50354 9.57759 15.0873 8.74837 8.34132 9.2434 numMergedOcc 0
69 mol 78 unq 0 iso 0 dist 7.50229 7.86077 8.61143 11.2839 4.315 9.38837 13.6 8.09729 9.07629 4.83106 numMergedOcc 0
70 mol 78 unq 1 iso 0 dist 7.50229 7.86077 8.61143 10.4541 9.00868 9.80913 13.6 8.09729 9.07629 9.40741 numMergedOcc 0
71 mol 83 unq 0 iso 0 dist 5.13041 4.48523 7.50925 5.25361 3.62753 5.35861 8.57603 6.91034 6.96722 3.65203 numMergedOcc 0
72 mol 147 unq 0 iso 0 dist 6.42361 3.7035 3.82583 8.0732 5.19008 7.7464 7.4121 3.00464 5.19116 5.27556 numMergedOcc 0
73 mol 147 unq 1 iso 0 dist 6.42361 3.7035 3.82583 5.93918 3.7729 5.12272 7.4121 3.00464 5.19116 6.34165 numMergedOcc 0
74 mol 147 unq 2 iso 0 dist 6.42361 3.20279 8.25768 5.93918 3.7729 8.7121 7.4121 3.00464 8.71702 6.34165 numMergedOcc 0
75 mol 147 unq 3 iso 0 dist 7.4121 3.7035 5.19116 8.0732 5.27556 7.7464 6.42361 3.00464 3.82583 5.19008 numMergedOcc 0
76 mol 147 unq 4 iso 0 dist 7.4121 3.7035 5.19116 5.93918 6.34165 5.12272 6.42361 3.00464 3.82583 3.7729 numMergedOcc 0
77 mol 147 unq 5 iso 0 dist 7.4121 3.20279 8.71702 5.93918 6.34165 8.7121 6.42361 3.00464 8.25768 3.7729 numMergedOcc 0
78 mol 168 unq 0 iso 0 dist 5.64732 3.60864 5.86767 8.18217 6.06538 7.0961 5.52214 6.37254 5.28353 10.919 numMergedOcc 0
79 mol 168 unq 1 iso 0 dist 5.64732 3.60864 5.86767 5.51167 9.99868 8.21227 5.52214 6.37254 5.28353 6.91388 numMergedOcc 0
80 mol 168 unq 2 iso 0 dist 5.64732 3.60864 5.86767 9.35431 10.7133 6.53038 5.52214 6.37254 5.28353 6.65321 numMergedOcc 0
81 mol 168 unq 3 iso 0 dist 5.52214 3.60864 5.28353 8.18217 10.919 7.0961 5.64732 6.37254 5.86767 6.06538 numMergedOcc 0
82 mol 168 unq 4 iso 0 dist 5.52214 3.60864 5.28353 5.51167 6.91388 8.21227 5.64732 6.37254 5.86767 9.99868 numMergedOcc 0
83 mol 168 unq 5 iso 0 dist 5.52214 3.60864 5.28353 9.35431 6.65321 6.53038 5.64732 6.37254 5.86767 10.7133 numMergedOcc 0
84 mol 254 unq 0 iso 0 dist 7.40957 9.72134 9.20109 14.0896 10.929 5.6417 9.39961 3.15539 7.85841 8.8967 numMergedOcc 0
85 mol 254 unq 1 iso 0 dist 7.40957 9.72134 9.20109 13.9988 10.706 7.42831 9.39961 3.15539 7.85841 9.42679 numMergedOcc 0
86 mol 266 unq 0 iso 0 dist 9.90506 4.39553 6.96692 9.51145 3.68488 8.20376 8.61077 5.76129 8.25286 3.14784 numMergedOcc 0
87 mol 266 unq 1 iso 0 dist 9.90506 4.39553 6.96692 9.51145 3.68488 8.20376 9.11585 8.75066 9.9965 5.95721 numMergedOcc 0
88 mol 266 unq 2 iso 0 dist 9.03341 3.94797 6.96692 10.1964 3.68488 8.20376 10.9833 5.76129 8.25286 3.14784 numMergedOcc 0
89 mol 266 unq 3 iso 0 dist 9.03341 3.94797 6.96692 10.1964 3.68488 8.20376 12.7605 8.75066 9.9965 5.95721 numMergedOcc 0
90 mol 266 unq 4 iso 0 dist 6.39822 10.1418 7.8598 8.9221 3.14784 7.72861 5.36518 3.00605 7.80711 5.95721 numMergedOcc 0
91 mol 266 unq 5 iso 0 dist 6.39822 7.63149 8.25286 8.9221 3.14784 8.20376 10.3444 5.76129 6.96692 3.68488 numMergedOcc 0
92 mol 266 unq 6 iso 0 dist 6.39822 7.63149 8.25286 8.9221 3.14784 8.20376 5.36518 3.00605 9.9965 5.95721 numMergedOcc 0
93 mol 266 unq 7 iso 0 dist 8.61077 10.3155 7.8598 9.51145 3.14784 7.72861 9.11585 3.00605 7.80711 5.95721 numMergedOcc 0
94 mol 266 unq 8 iso 0 dist 8.61077 4.39553 8.25286 9.51145 3.14784 8.20376 9.90506 5.76129 6.96692 3.68488 numMergedOcc 0
95 mol 266 unq 9 iso 0 dist 8.61077 4.39553 8.25286 9.51145 3.14784 8.20376 9.11585 3.00605 9.9965 5.95721 numMergedOcc 0
96 mol 266 unq 10 iso 0 dist 5.36518 10.1418 7.80711 8.9221 5.95721 7.72861 6.39822 3.00605 7.8598 3.14784 numMergedOcc 0
97 mol 266 unq 11 iso 0 dist 5.36518 7.63149 9.9965 8.9221 5.95721 8.20376 10.3444 8.75066 6.96692 3.68488 numMergedOcc 0
98 mol 266 unq 12 iso 0 dist 5.36518 7.63149 9.9965 8.9221 5.95721 8.20376 6.39822 3.00605 8.25286 3.14784 numMergedOcc 0
99 mol 266 unq 13 iso 0 dist 9.11585 10.3155 7.80711 9.51145 5.95721 7.72861 8.61077 3.00605 7.8598 3.14784 numMergedOcc 0
100 mol 266 unq 14 iso 0 dist 9.11585 4.39553 9.9965 9.51145 5.95721 8.20376 9.90506 8.75066 6.96692 3.68488 numMergedOcc 0
101 mol 266 unq 15 iso 0 dist 9.11585 4.39553 9.9965 9.51145 5.95721 8.20376 8.61077 3.00605 8.25286 3.14784 numMergedOcc 0
