0 mol 5 unq 0 iso 0 dist 6.84403 6.46777 7.64769 3.82801 8.31759 4.73885 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 6.84403 3.82801 8.31759 6.46777 7.64769 4.73885 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 5.18743 6.46777 8.68577 3.82801 8.13672 4.73885 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 5.18743 3.82801 8.13672 6.46777 8.68577 4.73885 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 7.12713 4.64633 3.77542 13.8401 9.97314 9.4824 numMergedOcc 0
5 mol 46 unq 0 iso 1 dist 7.12713 13.8401 9.97314 4.64633 3.77542 9.4824 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 5.61831 5.5308 7.66068 10.5881 9.5043 6.98219 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 5.61831 10.5881 9.5043 5.5308 7.66068 6.98219 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 5.61831 5.5308 7.66068 9.74852 8.34132 8.74837 numMergedOcc 0
9 mol 76 unq 1 iso 1 dist 5.61831 9.74852 8.34132 5.5308 7.66068 8.74837 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 5.61831 10.5881 9.5043 9.74852 8.34132 4.82479 numMergedOcc 0
11 mol 76 unq 1 iso 1 dist 5.61831 9.74852 8.34132 10.5881 9.5043 4.82479 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 9.75749 8.85486 7.50925 5.2891 6.96722 6.91034 numMergedOcc 0
13 mol 83 unq 0 iso 1 dist 9.75749 5.2891 6.96722 8.85486 7.50925 6.91034 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.61514 10.8634 6.67137 15.0522 9.78707 15.509 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 7.61514 15.0522 9.78707 10.8634 6.67137 15.509 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 8.21116 12.6759 7.91193 13.6965 7.07839 3.24037 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 8.21116 13.6965 7.07839 12.6759 7.91193 3.24037 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 8.21116 12.6759 7.91193 10.513 9.09711 5.44737 numMergedOcc 0
19 mol 85 unq 2 iso 1 dist 8.21116 10.513 9.09711 12.6759 7.91193 5.44737 numMergedOcc 0
20 mol 85 unq 3 iso 0 dist 8.21116 12.6759 7.91193 10.8634 7.04244 11.3346 numMergedOcc 0
21 mol 85 unq 3 iso 1 dist 8.21116 10.8634 7.04244 12.6759 7.91193 11.3346 numMergedOcc 0
22 mol 85 unq 4 iso 0 dist 8.21116 12.6759 7.91193 15.0522 9.63449 14.2704 numMergedOcc 0
23 mol 85 unq 4 iso 1 dist 8.21116 15.0522 9.63449 12.6759 7.91193 14.2704 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 8.21116 13.6965 7.07839 10.513 9.09711 7.6242 numMergedOcc 0
25 mol 85 unq 2 iso 1 dist 8.21116 10.513 9.09711 13.6965 7.07839 7.6242 numMergedOcc 0
26 mol 85 unq 3 iso 0 dist 8.21116 13.6965 7.07839 10.8634 7.04244 10.1082 numMergedOcc 0
27 mol 85 unq 3 iso 1 dist 8.21116 10.8634 7.04244 13.6965 7.07839 10.1082 numMergedOcc 0
28 mol 85 unq 4 iso 0 dist 8.21116 13.6965 7.07839 15.0522 9.63449 12.8332 numMergedOcc 0
29 mol 85 unq 4 iso 1 dist 8.21116 15.0522 9.63449 13.6965 7.07839 12.8332 numMergedOcc 0
30 mol 85 unq 3 iso 0 dist 8.21116 10.513 9.09711 10.8634 7.04244 10.1757 numMergedOcc 0
31 mol 85 unq 3 iso 1 dist 8.21116 10.8634 7.04244 10.513 9.09711 10.1757 numMergedOcc 0
32 mol 85 unq 4 iso 0 dist 8.21116 10.513 9.09711 15.0522 9.63449 17.7038 numMergedOcc 0
33 mol 85 unq 4 iso 1 dist 8.21116 15.0522 9.63449 10.513 9.09711 17.7038 numMergedOcc 0
34 mol 85 unq 4 iso 0 dist 8.21116 10.8634 7.04244 15.0522 9.63449 15.509 numMergedOcc 0
35 mol 85 unq 4 iso 1 dist 8.21116 15.0522 9.63449 10.8634 7.04244 15.509 numMergedOcc 0
36 mol 107 unq 0 iso 0 dist 4.99934 10.9097 8.88124 4.34186 8.19484 13.5807 numMergedOcc 0
37 mol 107 unq 0 iso 1 dist 4.99934 4.34186 8.19484 10.9097 8.88124 13.5807 numMergedOcc 0
38 mol 113 unq 0 iso 0 dist 9.00481 9.83939 5.31126 9.2752 7.16619 2.75715 numMergedOcc 0
39 mol 113 unq 0 iso 1 dist 9.00481 9.2752 7.16619 9.83939 5.31126 2.75715 numMergedOcc 0
40 mol 113 unq 1 iso 0 dist 6.38269 10.3017 5.31126 10.3632 4.49669 5.7147 numMergedOcc 0
41 mol 113 unq 1 iso 1 dist 6.38269 10.3632 4.49669 10.3017 5.31126 5.7147 numMergedOcc 0
42 mol 113 unq 2 iso 0 dist 6.38269 10.3017 5.31126 9.86085 6.00221 8.09465 numMergedOcc 0
43 mol 113 unq 2 iso 1 dist 6.38269 9.86085 6.00221 10.3017 5.31126 8.09465 numMergedOcc 0
44 mol 113 unq 2 iso 0 dist 6.38269 10.3632 4.49669 9.86085 6.00221 3.74304 numMergedOcc 0
45 mol 113 unq 2 iso 1 dist 6.38269 9.86085 6.00221 10.3632 4.49669 3.74304 numMergedOcc 0
46 mol 113 unq 3 iso 0 dist 7.11196 10.3017 7.16619 10.3632 5.88896 5.7147 numMergedOcc 0
47 mol 113 unq 3 iso 1 dist 7.11196 10.3632 5.88896 10.3017 7.16619 5.7147 numMergedOcc 0
48 mol 120 unq 0 iso 0 dist 8.31527 5.79975 7.84207 12.8646 8.56947 8.68088 numMergedOcc 0
49 mol 120 unq 0 iso 1 dist 8.31527 12.8646 8.56947 5.79975 7.84207 8.68088 numMergedOcc 0
50 mol 120 unq 1 iso 0 dist 7.64841 5.37018 9.31385 5.79975 6.98791 5.7181 numMergedOcc 0
51 mol 120 unq 1 iso 1 dist 7.64841 5.79975 6.98791 5.37018 9.31385 5.7181 numMergedOcc 0
52 mol 123 unq 0 iso 0 dist 7.49032 5.04742 8.78115 11.4019 8.03692 8.77423 numMergedOcc 0
53 mol 123 unq 0 iso 1 dist 7.49032 11.4019 8.03692 5.04742 8.78115 8.77423 numMergedOcc 0
54 mol 123 unq 1 iso 0 dist 7.04627 5.02162 8.78115 8.90549 8.03692 8.77423 numMergedOcc 0
55 mol 123 unq 1 iso 1 dist 7.04627 8.90549 8.03692 5.02162 8.78115 8.77423 numMergedOcc 0
56 mol 169 unq 0 iso 0 dist 6.18165 6.5732 5.10589 4.14139 4.63336 5.23644 numMergedOcc 0
57 mol 169 unq 0 iso 1 dist 6.18165 4.14139 4.63336 6.5732 5.10589 5.23644 numMergedOcc 0
58 mol 169 unq 1 iso 0 dist 6.18165 6.5732 5.10589 7.73206 6.10715 7.52063 numMergedOcc 0
59 mol 169 unq 1 iso 1 dist 6.18165 7.73206 6.10715 6.5732 5.10589 7.52063 numMergedOcc 0
60 mol 169 unq 1 iso 0 dist 6.18165 4.14139 4.63336 7.73206 6.10715 3.74306 numMergedOcc 0
61 mol 169 unq 1 iso 1 dist 6.18165 7.73206 6.10715 4.14139 4.63336 3.74306 numMergedOcc 0
62 mol 176 unq 0 iso 0 dist 6.32254 4.03856 8.65645 5.25264 6.85902 7.03525 numMergedOcc 0
63 mol 176 unq 0 iso 1 dist 6.32254 5.25264 6.85902 4.03856 8.65645 7.03525 numMergedOcc 0
64 mol 176 unq 1 iso 0 dist 8.89556 6.94233 8.65645 3.97245 6.85902 7.03525 numMergedOcc 0
65 mol 176 unq 1 iso 1 dist 8.89556 3.97245 6.85902 6.94233 8.65645 7.03525 numMergedOcc 0
66 mol 186 unq 0 iso 0 dist 8.19926 4.32488 7.25595 12.1543 9.94825 12.8007 numMergedOcc 0
67 mol 186 unq 0 iso 1 dist 8.19926 12.1543 9.94825 4.32488 7.25595 12.8007 numMergedOcc 0
68 mol 193 unq 0 iso 0 dist 9.28442 6.06113 8.30069 3.45561 8.83551 4.75086 numMergedOcc 0
69 mol 193 unq 0 iso 1 dist 9.28442 3.45561 8.83551 6.06113 8.30069 4.75086 numMergedOcc 0
70 mol 194 unq 0 iso 0 dist 6.6747 11.2635 4.68722 10.5989 5.18325 5.61057 numMergedOcc 0
71 mol 194 unq 0 iso 1 dist 6.6747 10.5989 5.18325 11.2635 4.68722 5.61057 numMergedOcc 0
72 mol 194 unq 1 iso 0 dist 6.28412 5.18799 4.68722 4.45047 5.18325 5.61057 numMergedOcc 0
73 mol 194 unq 1 iso 1 dist 6.28412 4.45047 5.18325 5.18799 4.68722 5.61057 numMergedOcc 0
74 mol 266 unq 0 iso 0 dist 7.36685 7.98379 7.8598 4.58167 8.25286 11.938 numMergedOcc 0
75 mol 266 unq 0 iso 1 dist 7.36685 4.58167 8.25286 7.98379 7.8598 11.938 numMergedOcc 0
76 mol 266 unq 1 iso 0 dist 9.20906 10.0526 7.80711 16.8584 9.9965 11.938 numMergedOcc 0
77 mol 266 unq 1 iso 1 dist 9.20906 16.8584 9.9965 10.0526 7.80711 11.938 numMergedOcc 0
78 mol 266 unq 2 iso 0 dist 9.03099 7.98379 7.80711 4.58167 9.9965 11.938 numMergedOcc 0
79 mol 266 unq 2 iso 1 dist 9.03099 4.58167 9.9965 7.98379 7.80711 11.938 numMergedOcc 0
80 mol 277 unq 0 iso 0 dist 7.34927 9.69757 7.98956 10.2113 5.86185 3.41319 numMergedOcc 0
81 mol 277 unq 0 iso 1 dist 7.34927 10.2113 5.86185 9.69757 7.98956 3.41319 numMergedOcc 0
82 mol 277 unq 1 iso 0 dist 7.34927 9.69757 7.98956 8.92993 6.79748 13.9697 numMergedOcc 0
83 mol 277 unq 1 iso 1 dist 7.34927 8.92993 6.79748 9.69757 7.98956 13.9697 numMergedOcc 0
84 mol 277 unq 1 iso 0 dist 7.34927 10.2113 5.86185 8.92993 6.79748 12.1514 numMergedOcc 0
85 mol 277 unq 1 iso 1 dist 7.34927 8.92993 6.79748 10.2113 5.86185 12.1514 numMergedOcc 0
86 mol 277 unq 2 iso 0 dist 7.54315 7.55695 7.98956 6.26644 5.86185 3.41319 numMergedOcc 0
87 mol 277 unq 2 iso 1 dist 7.54315 6.26644 5.86185 7.55695 7.98956 3.41319 numMergedOcc 0
88 mol 277 unq 3 iso 0 dist 7.54315 7.55695 7.98956 10.4453 6.79748 13.9697 numMergedOcc 0
89 mol 277 unq 3 iso 1 dist 7.54315 10.4453 6.79748 7.55695 7.98956 13.9697 numMergedOcc 0
90 mol 277 unq 3 iso 0 dist 7.54315 6.26644 5.86185 10.4453 6.79748 12.1514 numMergedOcc 0
91 mol 277 unq 3 iso 1 dist 7.54315 10.4453 6.79748 6.26644 5.86185 12.1514 numMergedOcc 0
92 mol 281 unq 0 iso 0 dist 8.78416 16.2332 7.90368 10.564 6.69267 12.7734 numMergedOcc 0
93 mol 281 unq 0 iso 1 dist 8.78416 10.564 6.69267 16.2332 7.90368 12.7734 numMergedOcc 0
94 mol 281 unq 1 iso 0 dist 9.22428 9.75261 5.33372 10.564 6.56886 10.2487 numMergedOcc 0
95 mol 281 unq 1 iso 1 dist 9.22428 10.564 6.56886 9.75261 5.33372 10.2487 numMergedOcc 0
96 mol 281 unq 2 iso 0 dist 7.82358 12.9503 7.90368 9.45924 6.69267 12.7734 numMergedOcc 0
97 mol 281 unq 2 iso 1 dist 7.82358 9.45924 6.69267 12.9503 7.90368 12.7734 numMergedOcc 0
98 mol 281 unq 3 iso 0 dist 7.95687 3.73592 5.33372 10.8606 6.56886 10.2487 numMergedOcc 0
99 mol 281 unq 3 iso 1 dist 7.95687 10.8606 6.56886 3.73592 5.33372 10.2487 numMergedOcc 0
