0 mol 7 unq 0 iso 0 dist 6.36911 13.2247 9.36807 10.2446 7.45262 5.44992 10.5461 10.515 7.10621 5.72491 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 5.44992 7.45262 10.2446 7.10621 10.515 10.5461 5.72491 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.36911 13.2247 9.36807 10.2446 7.45262 5.44992 8.41585 6.06176 12.2333 7.88043 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.36807 13.2247 6.36911 5.44992 7.45262 10.2446 12.2333 6.06176 8.41585 7.88043 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 6.36911 13.2247 9.36807 12.3097 6.96586 4.74523 8.41585 6.06176 12.2333 8.80762 numMergedOcc 0
5 mol 7 unq 2 iso 1 dist 9.36807 13.2247 6.36911 4.74523 6.96586 12.3097 12.2333 6.06176 8.41585 8.80762 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 8.41862 5.74188 8.16785 6.70071 7.40724 4.50891 5.46498 6.73355 8.71745 6.56335 numMergedOcc 0
7 mol 16 unq 0 iso 1 dist 8.16785 5.74188 8.41862 4.50891 7.40724 6.70071 8.71745 6.73355 5.46498 6.56335 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 8.41862 5.74188 8.16785 6.70071 7.40724 4.50891 9.80614 4.77289 10.2909 7.2668 numMergedOcc 0
9 mol 16 unq 1 iso 1 dist 8.16785 5.74188 8.41862 4.50891 7.40724 6.70071 10.2909 4.77289 9.80614 7.2668 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.39889 11.6667 9.63176 9.3046 5.85818 4.91132 14.5183 7.36192 10.3704 7.99857 numMergedOcc 0
11 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 4.91132 5.85818 9.3046 10.3704 7.36192 14.5183 7.99857 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 7.39889 11.6667 9.63176 9.3046 5.85818 4.91132 16.7981 10.6679 8.73993 8.56342 numMergedOcc 0
13 mol 119 unq 1 iso 1 dist 9.63176 11.6667 7.39889 4.91132 5.85818 9.3046 8.73993 10.6679 16.7981 8.56342 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 7.39889 11.3169 7.44174 9.3046 5.85818 7.61939 14.5183 7.36192 9.87172 7.99857 numMergedOcc 0
15 mol 119 unq 2 iso 1 dist 7.44174 11.3169 7.39889 7.61939 5.85818 9.3046 9.87172 7.36192 14.5183 7.99857 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 7.39889 11.3169 7.44174 9.3046 5.85818 7.61939 16.7981 10.6679 12.6489 8.56342 numMergedOcc 0
17 mol 119 unq 3 iso 1 dist 7.44174 11.3169 7.39889 7.61939 5.85818 9.3046 12.6489 10.6679 16.7981 8.56342 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 9.63176 12.4603 7.44174 4.91132 5.85818 7.61939 10.3704 7.36192 9.87172 7.99857 numMergedOcc 0
19 mol 119 unq 2 iso 1 dist 7.44174 12.4603 9.63176 7.61939 5.85818 4.91132 9.87172 7.36192 10.3704 7.99857 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 9.63176 12.4603 7.44174 4.91132 5.85818 7.61939 8.73993 10.6679 12.6489 8.56342 numMergedOcc 0
21 mol 119 unq 3 iso 1 dist 7.44174 12.4603 9.63176 7.61939 5.85818 4.91132 12.6489 10.6679 8.73993 8.56342 numMergedOcc 0
22 mol 119 unq 4 iso 0 dist 6.19042 9.22558 8.43904 7.61939 9.87025 10.326 9.87172 6.35763 10.1813 7.99857 numMergedOcc 0
23 mol 119 unq 4 iso 1 dist 8.43904 9.22558 6.19042 10.326 9.87025 7.61939 10.1813 6.35763 9.87172 7.99857 numMergedOcc 0
24 mol 119 unq 5 iso 0 dist 6.19042 9.22558 8.43904 7.61939 9.87025 10.326 12.6489 10.0197 9.72413 8.56342 numMergedOcc 0
25 mol 119 unq 5 iso 1 dist 8.43904 9.22558 6.19042 10.326 9.87025 7.61939 9.72413 10.0197 12.6489 8.56342 numMergedOcc 0
26 mol 130 unq 0 iso 0 dist 6.79146 7.01619 7.66168 7.55374 6.42785 11.576 13.7544 8.84655 13.572 8.33077 numMergedOcc 0
27 mol 130 unq 0 iso 1 dist 7.66168 7.01619 6.79146 11.576 6.42785 7.55374 13.572 8.84655 13.7544 8.33077 numMergedOcc 0
28 mol 130 unq 1 iso 0 dist 6.79146 7.01619 7.66168 9.44878 6.82089 4.28797 14.5247 10.3933 10.3889 9.28592 numMergedOcc 0
29 mol 130 unq 1 iso 1 dist 7.66168 7.01619 6.79146 4.28797 6.82089 9.44878 10.3889 10.3933 14.5247 9.28592 numMergedOcc 0
30 mol 130 unq 2 iso 0 dist 6.79146 6.83397 6.89257 7.55374 6.42785 5.97111 13.7544 8.84655 8.70949 8.33077 numMergedOcc 0
31 mol 130 unq 2 iso 1 dist 6.89257 6.83397 6.79146 5.97111 6.42785 7.55374 8.70949 8.84655 13.7544 8.33077 numMergedOcc 0
32 mol 130 unq 3 iso 0 dist 6.79146 6.83397 6.89257 9.44878 6.82089 6.97875 14.5247 10.3933 15.2264 9.28592 numMergedOcc 0
33 mol 130 unq 3 iso 1 dist 6.89257 6.83397 6.79146 6.97875 6.82089 9.44878 15.2264 10.3933 14.5247 9.28592 numMergedOcc 0
34 mol 130 unq 2 iso 0 dist 7.66168 7.50049 6.89257 11.576 6.42785 5.97111 13.572 8.84655 8.70949 8.33077 numMergedOcc 0
35 mol 130 unq 2 iso 1 dist 6.89257 7.50049 7.66168 5.97111 6.42785 11.576 8.70949 8.84655 13.572 8.33077 numMergedOcc 0
36 mol 130 unq 3 iso 0 dist 7.66168 7.50049 6.89257 4.28797 6.82089 6.97875 10.3889 10.3933 15.2264 9.28592 numMergedOcc 0
37 mol 130 unq 3 iso 1 dist 6.89257 7.50049 7.66168 6.97875 6.82089 4.28797 15.2264 10.3933 10.3889 9.28592 numMergedOcc 0
38 mol 130 unq 4 iso 0 dist 9.12581 7.50049 8.74308 4.28797 5.38314 6.97875 10.3889 9.16988 15.2264 9.28592 numMergedOcc 0
39 mol 130 unq 4 iso 1 dist 8.74308 7.50049 9.12581 6.97875 5.38314 4.28797 15.2264 9.16988 10.3889 9.28592 numMergedOcc 0
40 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 6.41287 8.1582 11.488 10.6877 6.01455 12.7524 7.63338 numMergedOcc 0
41 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 11.488 8.1582 6.41287 12.7524 6.01455 10.6877 7.63338 numMergedOcc 0
42 mol 143 unq 1 iso 0 dist 7.31468 5.72828 7.7056 7.11704 7.88655 9.53139 10.6877 6.01455 12.7524 7.25673 numMergedOcc 0
43 mol 143 unq 1 iso 1 dist 7.7056 5.72828 7.31468 9.53139 7.88655 7.11704 12.7524 6.01455 10.6877 7.25673 numMergedOcc 0
44 mol 184 unq 0 iso 0 dist 9.52936 5.43299 9.15417 8.41716 6.21206 5.72305 15.173 6.47974 13.8822 8.77887 numMergedOcc 0
45 mol 184 unq 0 iso 1 dist 9.15417 5.43299 9.52936 5.72305 6.21206 8.41716 13.8822 6.47974 15.173 8.77887 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 7.46831 10.3105 8.60247 5.63388 5.10114 6.214 8.85478 6.67959 11.9355 6.38157 numMergedOcc 0
47 mol 214 unq 0 iso 1 dist 8.60247 10.3105 7.46831 6.214 5.10114 5.63388 11.9355 6.67959 8.85478 6.38157 numMergedOcc 0
48 mol 218 unq 0 iso 0 dist 7.17547 7.83217 7.13323 10.3246 9.67381 9.8301 10.9501 7.47048 12.8943 8.06216 numMergedOcc 0
49 mol 218 unq 0 iso 1 dist 7.13323 7.83217 7.17547 9.8301 9.67381 10.3246 12.8943 7.47048 10.9501 8.06216 numMergedOcc 0
50 mol 218 unq 1 iso 0 dist 7.17547 7.83217 7.13323 5.7776 6.61099 9.97783 10.3145 8.36122 14.6103 6.29367 numMergedOcc 0
51 mol 218 unq 1 iso 1 dist 7.13323 7.83217 7.17547 9.97783 6.61099 5.7776 14.6103 8.36122 10.3145 6.29367 numMergedOcc 0
52 mol 218 unq 2 iso 0 dist 7.17547 7.83217 7.13323 5.7776 6.61099 9.97783 10.9501 7.47048 12.8943 5.76954 numMergedOcc 0
53 mol 218 unq 2 iso 1 dist 7.13323 7.83217 7.17547 9.97783 6.61099 5.7776 12.8943 7.47048 10.9501 5.76954 numMergedOcc 0
54 mol 218 unq 3 iso 0 dist 7.17547 7.83217 7.13323 5.7776 6.61099 9.97783 14.7187 12.7963 18.1262 9.20961 numMergedOcc 0
55 mol 218 unq 3 iso 1 dist 7.13323 7.83217 7.17547 9.97783 6.61099 5.7776 18.1262 12.7963 14.7187 9.20961 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 8.17891 5.22356 6.95902 10.5813 7.1372 7.22396 7.22101 6.43754 8.65997 8.03442 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 7.22396 7.1372 10.5813 8.65997 6.43754 7.22101 8.03442 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 5.38637 5.42006 6.55759 11.1167 8.6597 7.83352 10.0756 10.4664 7.31233 5.64181 numMergedOcc 0
59 mol 238 unq 0 iso 1 dist 6.55759 5.42006 5.38637 7.83352 8.6597 11.1167 7.31233 10.4664 10.0756 5.64181 numMergedOcc 0
60 mol 238 unq 1 iso 0 dist 5.38637 5.42006 6.55759 11.1167 8.6597 7.83352 14.6071 13.3539 13.1583 7.61393 numMergedOcc 0
61 mol 238 unq 1 iso 1 dist 6.55759 5.42006 5.38637 7.83352 8.6597 11.1167 13.1583 13.3539 14.6071 7.61393 numMergedOcc 0
62 mol 238 unq 2 iso 0 dist 8.96531 12.9854 7.02475 7.69482 7.47235 7.83352 12.4767 11.2717 7.31233 5.64181 numMergedOcc 0
63 mol 238 unq 2 iso 1 dist 7.02475 12.9854 8.96531 7.83352 7.47235 7.69482 7.31233 11.2717 12.4767 5.64181 numMergedOcc 0
64 mol 238 unq 3 iso 0 dist 8.96531 12.9854 7.02475 7.69482 7.47235 7.83352 13.6867 14.7509 13.1583 7.61393 numMergedOcc 0
65 mol 238 unq 3 iso 1 dist 7.02475 12.9854 8.96531 7.83352 7.47235 7.69482 13.1583 14.7509 13.6867 7.61393 numMergedOcc 0
66 mol 238 unq 4 iso 0 dist 9.68513 10.1648 9.29858 5.87253 9.47845 10.7551 10.0419 13.9614 12.2442 5.52379 numMergedOcc 0
67 mol 238 unq 4 iso 1 dist 9.29858 10.1648 9.68513 10.7551 9.47845 5.87253 12.2442 13.9614 10.0419 5.52379 numMergedOcc 0
68 mol 238 unq 5 iso 0 dist 9.90142 5.40359 5.9216 10.7508 6.92409 5.87253 13.6591 12.3042 10.0419 5.52379 numMergedOcc 0
69 mol 238 unq 5 iso 1 dist 5.9216 5.40359 9.90142 5.87253 6.92409 10.7508 10.0419 12.3042 13.6591 5.52379 numMergedOcc 0
70 mol 238 unq 6 iso 0 dist 7.49471 5.34096 7.19008 13.0113 6.89694 11.0349 11.0896 5.54325 11.5794 5.52379 numMergedOcc 0
71 mol 238 unq 6 iso 1 dist 7.19008 5.34096 7.49471 11.0349 6.89694 13.0113 11.5794 5.54325 11.0896 5.52379 numMergedOcc 0
72 mol 238 unq 7 iso 0 dist 7.49471 5.34096 7.19008 10.216 6.44735 7.83352 6.22714 5.17471 7.31233 5.64181 numMergedOcc 0
73 mol 238 unq 7 iso 1 dist 7.19008 5.34096 7.49471 7.83352 6.44735 10.216 7.31233 5.17471 6.22714 5.64181 numMergedOcc 0
74 mol 238 unq 8 iso 0 dist 7.49471 5.34096 7.19008 10.216 6.44735 7.83352 12.6642 10.7999 13.1583 7.61393 numMergedOcc 0
75 mol 238 unq 8 iso 1 dist 7.19008 5.34096 7.49471 7.83352 6.44735 10.216 13.1583 10.7999 12.6642 7.61393 numMergedOcc 0
76 mol 259 unq 0 iso 0 dist 7.48005 12.5353 8.37865 5.60748 6.39918 7.31951 7.46176 5.79468 11.858 8.55558 numMergedOcc 0
77 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 7.31951 6.39918 5.60748 11.858 5.79468 7.46176 8.55558 numMergedOcc 0
78 mol 259 unq 1 iso 0 dist 7.48005 12.5353 8.37865 5.60748 6.39918 7.31951 12.0576 5.31048 5.30224 8.59697 numMergedOcc 0
79 mol 259 unq 1 iso 1 dist 8.37865 12.5353 7.48005 7.31951 6.39918 5.60748 5.30224 5.31048 12.0576 8.59697 numMergedOcc 0
