0 mol 46 unq 0 iso 0 dist 7.12713 13.6849 9.45756 4.64633 3.77542 9.26597 13.8401 9.97314 4.60014 9.4824 numMergedOcc 0
1 mol 46 unq 0 iso 1 dist 7.12713 13.6849 9.45756 13.8401 9.97314 4.60014 4.64633 3.77542 9.26597 9.4824 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 5.61831 5.66392 7.61521 5.5308 7.66068 10.5019 10.5881 9.5043 13.3187 6.98219 numMergedOcc 0
3 mol 76 unq 0 iso 1 dist 5.61831 5.66392 7.61521 10.5881 9.5043 13.3187 5.5308 7.66068 10.5019 6.98219 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 5.61831 5.66392 7.61521 5.5308 7.66068 10.5019 9.74852 8.34132 10.3032 8.74837 numMergedOcc 0
5 mol 76 unq 1 iso 1 dist 5.61831 5.66392 7.61521 9.74852 8.34132 10.3032 5.5308 7.66068 10.5019 8.74837 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.61831 5.66392 7.61521 10.5881 9.5043 13.3187 9.74852 8.34132 10.3032 4.82479 numMergedOcc 0
7 mol 76 unq 1 iso 1 dist 5.61831 5.66392 7.61521 9.74852 8.34132 10.3032 10.5881 9.5043 13.3187 4.82479 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.61514 12.3909 7.69926 10.8634 6.67137 6.35602 15.0522 9.78707 13.5979 15.509 numMergedOcc 0
9 mol 85 unq 0 iso 1 dist 7.61514 12.3909 7.69926 15.0522 9.78707 13.5979 10.8634 6.67137 6.35602 15.509 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 8.21116 12.3909 5.85237 13.6965 7.07839 3.88489 12.6759 7.91193 5.78841 3.24037 numMergedOcc 0
11 mol 85 unq 1 iso 1 dist 8.21116 12.3909 5.85237 12.6759 7.91193 5.78841 13.6965 7.07839 3.88489 3.24037 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.21116 12.3909 5.85237 13.6965 7.07839 3.88489 10.513 9.09711 7.33192 7.6242 numMergedOcc 0
13 mol 85 unq 2 iso 1 dist 8.21116 12.3909 5.85237 10.513 9.09711 7.33192 13.6965 7.07839 3.88489 7.6242 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 8.21116 12.3909 5.85237 13.6965 7.07839 3.88489 10.8634 7.04244 6.35602 10.1082 numMergedOcc 0
15 mol 85 unq 3 iso 1 dist 8.21116 12.3909 5.85237 10.8634 7.04244 6.35602 13.6965 7.07839 3.88489 10.1082 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 8.21116 12.3909 5.85237 13.6965 7.07839 3.88489 15.0522 9.63449 13.5979 12.8332 numMergedOcc 0
17 mol 85 unq 4 iso 1 dist 8.21116 12.3909 5.85237 15.0522 9.63449 13.5979 13.6965 7.07839 3.88489 12.8332 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 8.21116 12.3909 5.85237 12.6759 7.91193 5.78841 10.513 9.09711 7.33192 5.44737 numMergedOcc 0
19 mol 85 unq 2 iso 1 dist 8.21116 12.3909 5.85237 10.513 9.09711 7.33192 12.6759 7.91193 5.78841 5.44737 numMergedOcc 0
20 mol 85 unq 3 iso 0 dist 8.21116 12.3909 5.85237 12.6759 7.91193 5.78841 10.8634 7.04244 6.35602 11.3346 numMergedOcc 0
21 mol 85 unq 3 iso 1 dist 8.21116 12.3909 5.85237 10.8634 7.04244 6.35602 12.6759 7.91193 5.78841 11.3346 numMergedOcc 0
22 mol 85 unq 4 iso 0 dist 8.21116 12.3909 5.85237 12.6759 7.91193 5.78841 15.0522 9.63449 13.5979 14.2704 numMergedOcc 0
23 mol 85 unq 4 iso 1 dist 8.21116 12.3909 5.85237 15.0522 9.63449 13.5979 12.6759 7.91193 5.78841 14.2704 numMergedOcc 0
24 mol 85 unq 3 iso 0 dist 8.21116 12.3909 5.85237 10.513 9.09711 7.33192 10.8634 7.04244 6.35602 10.1757 numMergedOcc 0
25 mol 85 unq 3 iso 1 dist 8.21116 12.3909 5.85237 10.8634 7.04244 6.35602 10.513 9.09711 7.33192 10.1757 numMergedOcc 0
26 mol 85 unq 4 iso 0 dist 8.21116 12.3909 5.85237 10.513 9.09711 7.33192 15.0522 9.63449 13.5979 17.7038 numMergedOcc 0
27 mol 85 unq 4 iso 1 dist 8.21116 12.3909 5.85237 15.0522 9.63449 13.5979 10.513 9.09711 7.33192 17.7038 numMergedOcc 0
28 mol 85 unq 4 iso 0 dist 8.21116 12.3909 5.85237 10.8634 7.04244 6.35602 15.0522 9.63449 13.5979 15.509 numMergedOcc 0
29 mol 85 unq 4 iso 1 dist 8.21116 12.3909 5.85237 15.0522 9.63449 13.5979 10.8634 7.04244 6.35602 15.509 numMergedOcc 0
30 mol 85 unq 5 iso 0 dist 8.21116 17.1393 9.11768 13.6965 7.07839 9.22202 10.513 9.09711 15.5226 7.6242 numMergedOcc 0
31 mol 85 unq 5 iso 1 dist 8.21116 17.1393 9.11768 10.513 9.09711 15.5226 13.6965 7.07839 9.22202 7.6242 numMergedOcc 0
32 mol 85 unq 6 iso 0 dist 8.21116 17.1393 9.11768 13.6965 7.07839 9.22202 10.8634 7.04244 10.5854 10.1082 numMergedOcc 0
33 mol 85 unq 6 iso 1 dist 8.21116 17.1393 9.11768 10.8634 7.04244 10.5854 13.6965 7.07839 9.22202 10.1082 numMergedOcc 0
34 mol 85 unq 7 iso 0 dist 8.21116 17.1393 9.11768 13.6965 7.07839 9.22202 15.0522 9.63449 10.0606 12.8332 numMergedOcc 0
35 mol 85 unq 7 iso 1 dist 8.21116 17.1393 9.11768 15.0522 9.63449 10.0606 13.6965 7.07839 9.22202 12.8332 numMergedOcc 0
36 mol 85 unq 8 iso 0 dist 8.21116 17.1393 9.11768 13.6965 7.07839 9.22202 12.6759 7.91193 12.2858 3.24037 numMergedOcc 0
37 mol 85 unq 8 iso 1 dist 8.21116 17.1393 9.11768 12.6759 7.91193 12.2858 13.6965 7.07839 9.22202 3.24037 numMergedOcc 0
38 mol 85 unq 6 iso 0 dist 8.21116 17.1393 9.11768 10.513 9.09711 15.5226 10.8634 7.04244 10.5854 10.1757 numMergedOcc 0
39 mol 85 unq 6 iso 1 dist 8.21116 17.1393 9.11768 10.8634 7.04244 10.5854 10.513 9.09711 15.5226 10.1757 numMergedOcc 0
40 mol 85 unq 7 iso 0 dist 8.21116 17.1393 9.11768 10.513 9.09711 15.5226 15.0522 9.63449 10.0606 17.7038 numMergedOcc 0
41 mol 85 unq 7 iso 1 dist 8.21116 17.1393 9.11768 15.0522 9.63449 10.0606 10.513 9.09711 15.5226 17.7038 numMergedOcc 0
42 mol 85 unq 8 iso 0 dist 8.21116 17.1393 9.11768 10.513 9.09711 15.5226 12.6759 7.91193 12.2858 5.44737 numMergedOcc 0
43 mol 85 unq 8 iso 1 dist 8.21116 17.1393 9.11768 12.6759 7.91193 12.2858 10.513 9.09711 15.5226 5.44737 numMergedOcc 0
44 mol 85 unq 7 iso 0 dist 8.21116 17.1393 9.11768 10.8634 7.04244 10.5854 15.0522 9.63449 10.0606 15.509 numMergedOcc 0
45 mol 85 unq 7 iso 1 dist 8.21116 17.1393 9.11768 15.0522 9.63449 10.0606 10.8634 7.04244 10.5854 15.509 numMergedOcc 0
46 mol 85 unq 8 iso 0 dist 8.21116 17.1393 9.11768 10.8634 7.04244 10.5854 12.6759 7.91193 12.2858 11.3346 numMergedOcc 0
47 mol 85 unq 8 iso 1 dist 8.21116 17.1393 9.11768 12.6759 7.91193 12.2858 10.8634 7.04244 10.5854 11.3346 numMergedOcc 0
48 mol 85 unq 8 iso 0 dist 8.21116 17.1393 9.11768 15.0522 9.63449 10.0606 12.6759 7.91193 12.2858 14.2704 numMergedOcc 0
49 mol 85 unq 8 iso 1 dist 8.21116 17.1393 9.11768 12.6759 7.91193 12.2858 15.0522 9.63449 10.0606 14.2704 numMergedOcc 0
50 mol 107 unq 0 iso 0 dist 4.99934 9.85159 9.45682 10.9097 8.88124 17.9917 4.34186 8.19484 11.8593 13.5807 numMergedOcc 0
51 mol 107 unq 0 iso 1 dist 4.99934 9.85159 9.45682 4.34186 8.19484 11.8593 10.9097 8.88124 17.9917 13.5807 numMergedOcc 0
52 mol 120 unq 0 iso 0 dist 8.31527 8.90504 7.53694 5.79975 7.84207 3.824 12.8646 8.56947 4.96885 8.68088 numMergedOcc 0
53 mol 120 unq 0 iso 1 dist 8.31527 8.90504 7.53694 12.8646 8.56947 4.96885 5.79975 7.84207 3.824 8.68088 numMergedOcc 0
54 mol 120 unq 1 iso 0 dist 7.64841 8.90504 8.38358 5.37018 9.31385 9.4846 5.79975 6.98791 3.824 5.7181 numMergedOcc 0
55 mol 120 unq 1 iso 1 dist 7.64841 8.90504 8.38358 5.79975 6.98791 3.824 5.37018 9.31385 9.4846 5.7181 numMergedOcc 0
56 mol 186 unq 0 iso 0 dist 8.19926 11.8143 5.90765 4.32488 7.25595 12.1883 12.1543 9.94825 6.89146 12.8007 numMergedOcc 0
57 mol 186 unq 0 iso 1 dist 8.19926 11.8143 5.90765 12.1543 9.94825 6.89146 4.32488 7.25595 12.1883 12.8007 numMergedOcc 0
58 mol 194 unq 0 iso 0 dist 6.6747 11.1132 9.38984 11.2635 4.68722 11.6641 10.5989 5.18325 7.3365 5.61057 numMergedOcc 0
59 mol 194 unq 0 iso 1 dist 6.6747 11.1132 9.38984 10.5989 5.18325 7.3365 11.2635 4.68722 11.6641 5.61057 numMergedOcc 0
60 mol 194 unq 1 iso 0 dist 6.6747 14.0553 9.91118 11.2635 4.68722 10.0534 10.5989 5.18325 6.3514 5.61057 numMergedOcc 0
61 mol 194 unq 1 iso 1 dist 6.6747 14.0553 9.91118 10.5989 5.18325 6.3514 11.2635 4.68722 10.0534 5.61057 numMergedOcc 0
62 mol 194 unq 2 iso 0 dist 6.28412 7.69242 9.38984 5.18799 4.68722 11.6641 4.45047 5.18325 7.3365 5.61057 numMergedOcc 0
63 mol 194 unq 2 iso 1 dist 6.28412 7.69242 9.38984 4.45047 5.18325 7.3365 5.18799 4.68722 11.6641 5.61057 numMergedOcc 0
64 mol 194 unq 3 iso 0 dist 6.28412 5.16091 9.91118 5.18799 4.68722 10.0534 4.45047 5.18325 6.3514 5.61057 numMergedOcc 0
65 mol 194 unq 3 iso 1 dist 6.28412 5.16091 9.91118 4.45047 5.18325 6.3514 5.18799 4.68722 10.0534 5.61057 numMergedOcc 0
66 mol 266 unq 0 iso 0 dist 9.20906 8.34545 9.29666 10.0526 7.80711 14.5358 16.8584 9.9965 18.7228 11.938 numMergedOcc 0
67 mol 266 unq 0 iso 1 dist 9.20906 8.34545 9.29666 16.8584 9.9965 18.7228 10.0526 7.80711 14.5358 11.938 numMergedOcc 0
68 mol 266 unq 1 iso 0 dist 9.03099 18.0944 9.29666 7.98379 7.80711 14.5358 4.58167 9.9965 18.7228 11.938 numMergedOcc 0
69 mol 266 unq 1 iso 1 dist 9.03099 18.0944 9.29666 4.58167 9.9965 18.7228 7.98379 7.80711 14.5358 11.938 numMergedOcc 0
70 mol 277 unq 0 iso 0 dist 7.34927 6.29035 9.54359 9.69757 7.98956 13.7583 10.2113 5.86185 13.6433 3.41319 numMergedOcc 0
71 mol 277 unq 0 iso 1 dist 7.34927 6.29035 9.54359 10.2113 5.86185 13.6433 9.69757 7.98956 13.7583 3.41319 numMergedOcc 0
72 mol 277 unq 1 iso 0 dist 7.34927 6.29035 9.54359 9.69757 7.98956 13.7583 8.92993 6.79748 10.469 13.9697 numMergedOcc 0
73 mol 277 unq 1 iso 1 dist 7.34927 6.29035 9.54359 8.92993 6.79748 10.469 9.69757 7.98956 13.7583 13.9697 numMergedOcc 0
74 mol 277 unq 1 iso 0 dist 7.34927 6.29035 9.54359 10.2113 5.86185 13.6433 8.92993 6.79748 10.469 12.1514 numMergedOcc 0
75 mol 277 unq 1 iso 1 dist 7.34927 6.29035 9.54359 8.92993 6.79748 10.469 10.2113 5.86185 13.6433 12.1514 numMergedOcc 0
76 mol 277 unq 2 iso 0 dist 7.34927 4.83355 5.69112 9.69757 7.98956 11.8607 10.2113 5.86185 10.9137 3.41319 numMergedOcc 0
77 mol 277 unq 2 iso 1 dist 7.34927 4.83355 5.69112 10.2113 5.86185 10.9137 9.69757 7.98956 11.8607 3.41319 numMergedOcc 0
78 mol 277 unq 3 iso 0 dist 7.34927 4.83355 5.69112 9.69757 7.98956 11.8607 8.92993 6.79748 5.09884 13.9697 numMergedOcc 0
79 mol 277 unq 3 iso 1 dist 7.34927 4.83355 5.69112 8.92993 6.79748 5.09884 9.69757 7.98956 11.8607 13.9697 numMergedOcc 0
80 mol 277 unq 3 iso 0 dist 7.34927 4.83355 5.69112 10.2113 5.86185 10.9137 8.92993 6.79748 5.09884 12.1514 numMergedOcc 0
81 mol 277 unq 3 iso 1 dist 7.34927 4.83355 5.69112 8.92993 6.79748 5.09884 10.2113 5.86185 10.9137 12.1514 numMergedOcc 0
82 mol 277 unq 4 iso 0 dist 7.54315 15.7541 9.54359 7.55695 7.98956 13.7583 6.26644 5.86185 13.6433 3.41319 numMergedOcc 0
83 mol 277 unq 4 iso 1 dist 7.54315 15.7541 9.54359 6.26644 5.86185 13.6433 7.55695 7.98956 13.7583 3.41319 numMergedOcc 0
84 mol 277 unq 5 iso 0 dist 7.54315 15.7541 9.54359 7.55695 7.98956 13.7583 10.4453 6.79748 10.469 13.9697 numMergedOcc 0
85 mol 277 unq 5 iso 1 dist 7.54315 15.7541 9.54359 10.4453 6.79748 10.469 7.55695 7.98956 13.7583 13.9697 numMergedOcc 0
86 mol 277 unq 5 iso 0 dist 7.54315 15.7541 9.54359 6.26644 5.86185 13.6433 10.4453 6.79748 10.469 12.1514 numMergedOcc 0
87 mol 277 unq 5 iso 1 dist 7.54315 15.7541 9.54359 10.4453 6.79748 10.469 6.26644 5.86185 13.6433 12.1514 numMergedOcc 0
88 mol 277 unq 6 iso 0 dist 7.54315 11.2857 5.69112 7.55695 7.98956 11.8607 6.26644 5.86185 10.9137 3.41319 numMergedOcc 0
89 mol 277 unq 6 iso 1 dist 7.54315 11.2857 5.69112 6.26644 5.86185 10.9137 7.55695 7.98956 11.8607 3.41319 numMergedOcc 0
90 mol 277 unq 7 iso 0 dist 7.54315 11.2857 5.69112 7.55695 7.98956 11.8607 10.4453 6.79748 5.09884 13.9697 numMergedOcc 0
91 mol 277 unq 7 iso 1 dist 7.54315 11.2857 5.69112 10.4453 6.79748 5.09884 7.55695 7.98956 11.8607 13.9697 numMergedOcc 0
92 mol 277 unq 7 iso 0 dist 7.54315 11.2857 5.69112 6.26644 5.86185 10.9137 10.4453 6.79748 5.09884 12.1514 numMergedOcc 0
93 mol 277 unq 7 iso 1 dist 7.54315 11.2857 5.69112 10.4453 6.79748 5.09884 6.26644 5.86185 10.9137 12.1514 numMergedOcc 0
94 mol 281 unq 0 iso 0 dist 8.78416 6.83107 5.50053 16.2332 7.90368 12.8596 10.564 6.69267 5.19196 12.7734 numMergedOcc 0
95 mol 281 unq 0 iso 1 dist 8.78416 6.83107 5.50053 10.564 6.69267 5.19196 16.2332 7.90368 12.8596 12.7734 numMergedOcc 0
96 mol 281 unq 1 iso 0 dist 9.22428 6.83107 7.33334 9.75261 5.33372 11.0049 10.564 6.56886 5.19196 10.2487 numMergedOcc 0
97 mol 281 unq 1 iso 1 dist 9.22428 6.83107 7.33334 10.564 6.56886 5.19196 9.75261 5.33372 11.0049 10.2487 numMergedOcc 0
98 mol 281 unq 2 iso 0 dist 7.82358 5.22248 5.50053 12.9503 7.90368 12.8596 9.45924 6.69267 5.19196 12.7734 numMergedOcc 0
99 mol 281 unq 2 iso 1 dist 7.82358 5.22248 5.50053 9.45924 6.69267 5.19196 12.9503 7.90368 12.8596 12.7734 numMergedOcc 0
100 mol 281 unq 3 iso 0 dist 7.95687 12.5417 7.33334 3.73592 5.33372 11.0049 10.8606 6.56886 5.19196 10.2487 numMergedOcc 0
101 mol 281 unq 3 iso 1 dist 7.95687 12.5417 7.33334 10.8606 6.56886 5.19196 3.73592 5.33372 11.0049 10.2487 numMergedOcc 0
