0 mol 58 unq 0 iso 0 dist 8.80614 13.9007 7.6481 6.47744 9.11258 13.9773 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 8.80614 6.47744 9.11258 13.9007 7.6481 13.9773 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 9.49144 13.2018 9.0008 5.59327 9.77887 9.07653 numMergedOcc 0
3 mol 67 unq 0 iso 1 dist 9.49144 5.59327 9.77887 13.2018 9.0008 9.07653 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.95572 9.32974 6.72712 6.99832 5.39745 5.06359 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 6.95572 6.99832 5.39745 9.32974 6.72712 5.06359 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.84011 5.31367 8.809 8.88748 5.79343 7.68699 numMergedOcc 0
7 mol 114 unq 0 iso 1 dist 6.84011 8.88748 5.79343 5.31367 8.809 7.68699 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 7.69991 6.69989 8.55616 10.1448 8.73604 9.57049 numMergedOcc 0
9 mol 134 unq 0 iso 1 dist 7.69991 10.1448 8.73604 6.69989 8.55616 9.57049 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.23142 5.3585 8.55616 5.41704 8.73604 9.57049 numMergedOcc 0
11 mol 134 unq 1 iso 1 dist 6.23142 5.41704 8.73604 5.3585 8.55616 9.57049 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 9.94764 6.74887 8.55616 6.17103 8.73604 9.57049 numMergedOcc 0
13 mol 134 unq 2 iso 1 dist 9.94764 6.17103 8.73604 6.74887 8.55616 9.57049 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 9.14926 14.0712 8.84087 11.9684 6.32615 5.75826 numMergedOcc 0
15 mol 134 unq 3 iso 1 dist 9.14926 11.9684 6.32615 14.0712 8.84087 5.75826 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 9.14926 14.0712 8.84087 9.05089 7.73791 6.53113 numMergedOcc 0
17 mol 134 unq 4 iso 1 dist 9.14926 9.05089 7.73791 14.0712 8.84087 6.53113 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 9.14926 14.0712 8.84087 5.37476 6.75145 9.10698 numMergedOcc 0
19 mol 134 unq 5 iso 1 dist 9.14926 5.37476 6.75145 14.0712 8.84087 9.10698 numMergedOcc 0
20 mol 134 unq 6 iso 0 dist 9.14926 14.0712 8.84087 10.3289 8.1856 7.12323 numMergedOcc 0
21 mol 134 unq 6 iso 1 dist 9.14926 10.3289 8.1856 14.0712 8.84087 7.12323 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 9.14926 11.9684 6.32615 9.05089 7.73791 4.86065 numMergedOcc 0
23 mol 134 unq 4 iso 1 dist 9.14926 9.05089 7.73791 11.9684 6.32615 4.86065 numMergedOcc 0
24 mol 134 unq 5 iso 0 dist 9.14926 11.9684 6.32615 5.37476 6.75145 8.71104 numMergedOcc 0
25 mol 134 unq 5 iso 1 dist 9.14926 5.37476 6.75145 11.9684 6.32615 8.71104 numMergedOcc 0
26 mol 134 unq 6 iso 0 dist 9.14926 11.9684 6.32615 10.3289 8.1856 9.82847 numMergedOcc 0
27 mol 134 unq 6 iso 1 dist 9.14926 10.3289 8.1856 11.9684 6.32615 9.82847 numMergedOcc 0
28 mol 134 unq 5 iso 0 dist 9.14926 9.05089 7.73791 5.37476 6.75145 5.63949 numMergedOcc 0
29 mol 134 unq 5 iso 1 dist 9.14926 5.37476 6.75145 9.05089 7.73791 5.63949 numMergedOcc 0
30 mol 134 unq 6 iso 0 dist 9.14926 9.05089 7.73791 10.3289 8.1856 8.00678 numMergedOcc 0
31 mol 134 unq 6 iso 1 dist 9.14926 10.3289 8.1856 9.05089 7.73791 8.00678 numMergedOcc 0
32 mol 134 unq 6 iso 0 dist 9.14926 5.37476 6.75145 10.3289 8.1856 5.2179 numMergedOcc 0
33 mol 134 unq 6 iso 1 dist 9.14926 10.3289 8.1856 5.37476 6.75145 5.2179 numMergedOcc 0
34 mol 141 unq 0 iso 0 dist 8.10291 10.5489 4.25566 6.71391 6.63171 7.41037 numMergedOcc 0
35 mol 141 unq 0 iso 1 dist 8.10291 6.71391 6.63171 10.5489 4.25566 7.41037 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 8.10291 10.5489 4.25566 6.6258 7.67273 6.97263 numMergedOcc 0
37 mol 141 unq 1 iso 1 dist 8.10291 6.6258 7.67273 10.5489 4.25566 6.97263 numMergedOcc 0
38 mol 141 unq 1 iso 0 dist 8.10291 6.71391 6.63171 6.6258 7.67273 6.23867 numMergedOcc 0
39 mol 141 unq 1 iso 1 dist 8.10291 6.6258 7.67273 6.71391 6.63171 6.23867 numMergedOcc 0
40 mol 143 unq 0 iso 0 dist 7.78652 10.0989 6.97487 6.01455 6.46089 6.54147 numMergedOcc 0
41 mol 143 unq 0 iso 1 dist 7.78652 6.01455 6.46089 10.0989 6.97487 6.54147 numMergedOcc 0
42 mol 155 unq 0 iso 0 dist 8.69157 5.48883 9.0529 8.78665 7.55196 7.63368 numMergedOcc 0
43 mol 155 unq 0 iso 1 dist 8.69157 8.78665 7.55196 5.48883 9.0529 7.63368 numMergedOcc 0
44 mol 155 unq 1 iso 0 dist 6.53347 9.36596 9.0529 5.40375 7.55196 7.63368 numMergedOcc 0
45 mol 155 unq 1 iso 1 dist 6.53347 5.40375 7.55196 9.36596 9.0529 7.63368 numMergedOcc 0
46 mol 159 unq 0 iso 0 dist 8.4858 4.57561 5.9032 6.49376 8.52082 7.97065 numMergedOcc 0
47 mol 159 unq 0 iso 1 dist 8.4858 6.49376 8.52082 4.57561 5.9032 7.97065 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 6.2479 6.25083 9.06217 4.77278 7.13252 5.3528 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 6.2479 4.77278 7.13252 6.25083 9.06217 5.3528 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 6.22122 10.5753 9.06217 5.88819 7.13252 5.3528 numMergedOcc 0
51 mol 181 unq 1 iso 1 dist 6.22122 5.88819 7.13252 10.5753 9.06217 5.3528 numMergedOcc 0
52 mol 181 unq 2 iso 0 dist 7.99195 5.86342 9.06217 9.14057 7.13252 5.3528 numMergedOcc 0
53 mol 181 unq 2 iso 1 dist 7.99195 9.14057 7.13252 5.86342 9.06217 5.3528 numMergedOcc 0
54 mol 181 unq 3 iso 0 dist 5.9176 9.60512 5.97685 13.3389 8.9289 6.46849 numMergedOcc 0
55 mol 181 unq 3 iso 1 dist 5.9176 13.3389 8.9289 9.60512 5.97685 6.46849 numMergedOcc 0
56 mol 234 unq 0 iso 0 dist 7.32499 5.9221 7.43663 13.2297 7.94068 9.35875 numMergedOcc 0
57 mol 234 unq 0 iso 1 dist 7.32499 13.2297 7.94068 5.9221 7.43663 9.35875 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 7.57812 5.11565 8.90076 13.0842 6.87131 12.6844 numMergedOcc 0
59 mol 238 unq 0 iso 1 dist 7.57812 13.0842 6.87131 5.11565 8.90076 12.6844 numMergedOcc 0
60 mol 238 unq 1 iso 0 dist 7.57812 5.11565 8.90076 13.171 8.09718 10.9258 numMergedOcc 0
61 mol 238 unq 1 iso 1 dist 7.57812 13.171 8.09718 5.11565 8.90076 10.9258 numMergedOcc 0
62 mol 238 unq 1 iso 0 dist 7.57812 13.0842 6.87131 13.171 8.09718 5.38691 numMergedOcc 0
63 mol 238 unq 1 iso 1 dist 7.57812 13.171 8.09718 13.0842 6.87131 5.38691 numMergedOcc 0
64 mol 238 unq 2 iso 0 dist 9.24557 11.0401 8.90076 8.85181 6.87131 12.6844 numMergedOcc 0
65 mol 238 unq 2 iso 1 dist 9.24557 8.85181 6.87131 11.0401 8.90076 12.6844 numMergedOcc 0
66 mol 238 unq 3 iso 0 dist 9.24557 11.0401 8.90076 11.9142 8.09718 10.9258 numMergedOcc 0
67 mol 238 unq 3 iso 1 dist 9.24557 11.9142 8.09718 11.0401 8.90076 10.9258 numMergedOcc 0
68 mol 238 unq 3 iso 0 dist 9.24557 8.85181 6.87131 11.9142 8.09718 5.38691 numMergedOcc 0
69 mol 238 unq 3 iso 1 dist 9.24557 11.9142 8.09718 8.85181 6.87131 5.38691 numMergedOcc 0
70 mol 238 unq 4 iso 0 dist 8.69104 5.11565 6.62002 13.0842 9.69818 12.6844 numMergedOcc 0
71 mol 238 unq 4 iso 1 dist 8.69104 13.0842 9.69818 5.11565 6.62002 12.6844 numMergedOcc 0
72 mol 238 unq 5 iso 0 dist 8.69104 5.11565 6.62002 13.171 6.73446 10.9258 numMergedOcc 0
73 mol 238 unq 5 iso 1 dist 8.69104 13.171 6.73446 5.11565 6.62002 10.9258 numMergedOcc 0
74 mol 238 unq 5 iso 0 dist 8.69104 13.0842 9.69818 13.171 6.73446 5.38691 numMergedOcc 0
75 mol 238 unq 5 iso 1 dist 8.69104 13.171 6.73446 13.0842 9.69818 5.38691 numMergedOcc 0
76 mol 243 unq 0 iso 0 dist 7.49645 5.70464 7.12785 7.83758 6.66959 8.07376 numMergedOcc 0
77 mol 243 unq 0 iso 1 dist 7.49645 7.83758 6.66959 5.70464 7.12785 8.07376 numMergedOcc 0
78 mol 243 unq 1 iso 0 dist 9.9222 10.3961 7.12785 7.8399 6.66959 8.07376 numMergedOcc 0
79 mol 243 unq 1 iso 1 dist 9.9222 7.8399 6.66959 10.3961 7.12785 8.07376 numMergedOcc 0
80 mol 264 unq 0 iso 0 dist 5.93616 5.12409 5.91213 9.67998 7.34094 6.20393 numMergedOcc 0
81 mol 264 unq 0 iso 1 dist 5.93616 9.67998 7.34094 5.12409 5.91213 6.20393 numMergedOcc 0
