0 mol 7 unq 0 iso 0 dist 6.36911 10.2446 7.45262 10.5461 10.515 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.36911 10.2446 7.45262 8.41585 6.06176 7.88043 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.36911 12.3097 6.96586 8.41585 6.06176 8.80762 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.31201 5.44992 9.55056 7.10621 10.789 5.72491 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.31201 5.44992 9.55056 12.2333 12.2708 7.88043 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 7.31201 4.74523 7.57354 12.2333 12.2708 8.80762 numMergedOcc 0
6 mol 7 unq 6 iso 0 dist 9.36807 5.44992 7.45262 7.10621 10.515 5.72491 numMergedOcc 0
7 mol 7 unq 7 iso 0 dist 9.36807 5.44992 7.45262 12.2333 6.06176 7.88043 numMergedOcc 0
8 mol 7 unq 8 iso 0 dist 9.36807 4.74523 6.96586 12.2333 6.06176 8.80762 numMergedOcc 0
9 mol 8 unq 0 iso 0 dist 8.99126 5.02333 8.94096 9.88063 13.7792 6.82379 numMergedOcc 0
10 mol 8 unq 1 iso 0 dist 8.99126 5.02333 8.94096 11.0287 10.6893 6.24978 numMergedOcc 0
11 mol 8 unq 2 iso 0 dist 8.99126 5.02333 8.94096 14.5532 13.8882 9.66439 numMergedOcc 0
12 mol 8 unq 3 iso 0 dist 8.99126 5.02333 8.94096 10.5239 12.8924 7.3915 numMergedOcc 0
13 mol 9 unq 0 iso 0 dist 8.47421 3.98483 8.04924 8.57077 5.60154 9.78006 numMergedOcc 0
14 mol 9 unq 1 iso 0 dist 6.33889 11.0722 9.82483 15.1483 13.5628 7.05346 numMergedOcc 0
15 mol 16 unq 0 iso 0 dist 8.41862 6.70071 7.40724 5.46498 6.73355 6.56335 numMergedOcc 0
16 mol 16 unq 1 iso 0 dist 8.41862 6.70071 7.40724 9.80614 4.77289 7.2668 numMergedOcc 0
17 mol 16 unq 2 iso 0 dist 8.16785 4.50891 7.40724 8.71745 6.73355 6.56335 numMergedOcc 0
18 mol 16 unq 3 iso 0 dist 8.16785 4.50891 7.40724 10.2909 4.77289 7.2668 numMergedOcc 0
19 mol 24 unq 0 iso 0 dist 9.75144 6.00575 8.62284 6.86014 5.39241 6.60423 numMergedOcc 0
20 mol 24 unq 1 iso 0 dist 9.75144 6.00575 8.62284 11.573 4.51549 7.83786 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 6.99777 7.3094 9.9928 7.88312 11.7126 5.72642 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 7.39889 9.3046 5.85818 14.5183 7.36192 7.99857 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 7.39889 9.3046 5.85818 16.7981 10.6679 8.56342 numMergedOcc 0
24 mol 119 unq 2 iso 0 dist 9.63176 4.91132 5.85818 10.3704 7.36192 7.99857 numMergedOcc 0
25 mol 119 unq 3 iso 0 dist 9.63176 4.91132 5.85818 8.73993 10.6679 8.56342 numMergedOcc 0
26 mol 119 unq 4 iso 0 dist 6.19042 7.61939 9.87025 9.87172 6.35763 7.99857 numMergedOcc 0
27 mol 119 unq 5 iso 0 dist 6.19042 7.61939 9.87025 12.6489 10.0197 8.56342 numMergedOcc 0
28 mol 119 unq 6 iso 0 dist 7.44174 7.61939 5.85818 9.87172 7.36192 7.99857 numMergedOcc 0
29 mol 119 unq 7 iso 0 dist 7.44174 7.61939 5.85818 12.6489 10.6679 8.56342 numMergedOcc 0
30 mol 119 unq 8 iso 0 dist 8.43904 10.326 9.87025 10.1813 6.35763 7.99857 numMergedOcc 0
31 mol 119 unq 9 iso 0 dist 8.43904 10.326 9.87025 9.72413 10.0197 8.56342 numMergedOcc 0
32 mol 130 unq 0 iso 0 dist 6.79146 7.55374 6.42785 13.7544 8.84655 8.33077 numMergedOcc 0
33 mol 130 unq 1 iso 0 dist 6.79146 9.44878 6.82089 14.5247 10.3933 9.28592 numMergedOcc 0
34 mol 130 unq 2 iso 0 dist 7.66168 11.576 6.42785 13.572 8.84655 8.33077 numMergedOcc 0
35 mol 130 unq 3 iso 0 dist 7.66168 4.28797 6.82089 10.3889 10.3933 9.28592 numMergedOcc 0
36 mol 130 unq 4 iso 0 dist 6.89257 5.97111 6.42785 8.70949 8.84655 8.33077 numMergedOcc 0
37 mol 130 unq 5 iso 0 dist 6.89257 6.97875 6.82089 15.2264 10.3933 9.28592 numMergedOcc 0
38 mol 130 unq 6 iso 0 dist 9.12581 4.28797 5.38314 10.3889 9.16988 9.28592 numMergedOcc 0
39 mol 130 unq 7 iso 0 dist 8.74308 6.97875 5.38314 15.2264 9.16988 9.28592 numMergedOcc 0
40 mol 143 unq 0 iso 0 dist 7.31468 6.41287 8.1582 10.6877 6.01455 7.63338 numMergedOcc 0
41 mol 143 unq 1 iso 0 dist 7.31468 7.11704 7.88655 10.6877 6.01455 7.25673 numMergedOcc 0
42 mol 143 unq 2 iso 0 dist 7.7056 11.488 8.1582 12.7524 6.01455 7.63338 numMergedOcc 0
43 mol 143 unq 3 iso 0 dist 7.7056 9.53139 7.88655 12.7524 6.01455 7.25673 numMergedOcc 0
44 mol 147 unq 0 iso 0 dist 8.33261 12.6979 7.01133 17.5352 10.1972 5.49226 numMergedOcc 0
45 mol 147 unq 1 iso 0 dist 8.33261 12.6979 7.01133 14.5625 8.54341 6.28351 numMergedOcc 0
46 mol 156 unq 0 iso 0 dist 6.88137 7.7635 7.04913 10.2717 5.07967 7.73169 numMergedOcc 0
47 mol 175 unq 0 iso 0 dist 9.31887 13.9336 7.01126 19.63 11.1651 7.35824 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 9.31887 11.873 6.58434 19.63 11.1651 9.17364 numMergedOcc 0
49 mol 181 unq 0 iso 0 dist 7.20046 5.93488 7.345 5.98885 5.4601 6.51749 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 7.20046 5.93488 7.345 9.09537 6.14208 7.20392 numMergedOcc 0
51 mol 181 unq 2 iso 0 dist 7.13543 5.93488 9.52987 5.98885 10.0524 6.51749 numMergedOcc 0
52 mol 181 unq 3 iso 0 dist 7.13543 5.93488 9.52987 9.09537 5.95965 7.20392 numMergedOcc 0
53 mol 184 unq 0 iso 0 dist 9.52936 8.41716 6.21206 15.173 6.47974 8.77887 numMergedOcc 0
54 mol 184 unq 1 iso 0 dist 9.15417 5.72305 6.21206 13.8822 6.47974 8.77887 numMergedOcc 0
55 mol 188 unq 0 iso 0 dist 6.90541 5.48276 7.48284 13.353 12.0548 8.57261 numMergedOcc 0
56 mol 192 unq 0 iso 0 dist 8.36822 7.0057 8.53433 5.59424 5.71262 7.24199 numMergedOcc 0
57 mol 198 unq 0 iso 0 dist 7.90031 6.74772 8.15936 12.0399 5.72073 9.18635 numMergedOcc 0
58 mol 198 unq 1 iso 0 dist 7.90031 6.74772 8.15936 13.7844 12.2117 8.10985 numMergedOcc 0
59 mol 198 unq 2 iso 0 dist 7.21533 6.74772 8.16598 12.0399 9.94078 9.18635 numMergedOcc 0
60 mol 198 unq 3 iso 0 dist 7.21533 6.74772 8.16598 13.7844 10.8191 8.10985 numMergedOcc 0
61 mol 205 unq 0 iso 0 dist 9.19704 5.28092 5.42696 6.03031 8.66809 8.44861 numMergedOcc 0
62 mol 205 unq 1 iso 0 dist 9.19704 5.28092 5.42696 7.26832 6.23291 5.60393 numMergedOcc 0
63 mol 214 unq 0 iso 0 dist 7.46831 5.63388 5.10114 8.85478 6.67959 6.38157 numMergedOcc 0
64 mol 214 unq 1 iso 0 dist 8.60247 6.214 5.10114 11.9355 6.67959 6.38157 numMergedOcc 0
65 mol 218 unq 0 iso 0 dist 7.18041 5.7776 6.86795 10.3145 6.05563 6.29367 numMergedOcc 0
66 mol 218 unq 1 iso 0 dist 7.18041 5.7776 6.86795 10.9501 9.68444 5.76954 numMergedOcc 0
67 mol 218 unq 2 iso 0 dist 7.18041 5.7776 6.86795 14.7187 11.4148 9.20961 numMergedOcc 0
68 mol 218 unq 3 iso 0 dist 7.18041 5.282 6.23898 11.7007 7.35842 8.0751 numMergedOcc 0
69 mol 218 unq 4 iso 0 dist 7.17547 10.3246 9.67381 10.9501 7.47048 8.06216 numMergedOcc 0
70 mol 218 unq 5 iso 0 dist 7.17547 5.7776 6.61099 10.3145 8.36122 6.29367 numMergedOcc 0
71 mol 218 unq 6 iso 0 dist 7.17547 5.7776 6.61099 10.9501 7.47048 5.76954 numMergedOcc 0
72 mol 218 unq 7 iso 0 dist 7.17547 5.7776 6.61099 14.7187 12.7963 9.20961 numMergedOcc 0
73 mol 218 unq 8 iso 0 dist 7.13323 9.8301 9.67381 12.8943 7.47048 8.06216 numMergedOcc 0
74 mol 218 unq 9 iso 0 dist 7.13323 9.97783 6.61099 14.6103 8.36122 6.29367 numMergedOcc 0
75 mol 218 unq 10 iso 0 dist 7.13323 9.97783 6.61099 12.8943 7.47048 5.76954 numMergedOcc 0
76 mol 218 unq 11 iso 0 dist 7.13323 9.97783 6.61099 18.1262 12.7963 9.20961 numMergedOcc 0
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78 mol 227 unq 1 iso 0 dist 6.95902 7.22396 7.1372 8.65997 6.43754 8.03442 numMergedOcc 0
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80 mol 238 unq 1 iso 0 dist 5.38637 11.1167 8.6597 14.6071 13.3539 7.61393 numMergedOcc 0
81 mol 238 unq 2 iso 0 dist 6.55759 7.83352 8.6597 7.31233 10.4664 5.64181 numMergedOcc 0
82 mol 238 unq 3 iso 0 dist 6.55759 7.83352 8.6597 13.1583 13.3539 7.61393 numMergedOcc 0
83 mol 238 unq 4 iso 0 dist 8.96531 7.69482 7.47235 12.4767 11.2717 5.64181 numMergedOcc 0
84 mol 238 unq 5 iso 0 dist 8.96531 7.69482 7.47235 13.6867 14.7509 7.61393 numMergedOcc 0
85 mol 238 unq 6 iso 0 dist 7.02475 7.83352 7.47235 7.31233 11.2717 5.64181 numMergedOcc 0
86 mol 238 unq 7 iso 0 dist 7.02475 7.83352 7.47235 13.1583 14.7509 7.61393 numMergedOcc 0
87 mol 238 unq 8 iso 0 dist 7.67322 11.0349 7.61203 11.5794 11.6239 5.52379 numMergedOcc 0
88 mol 238 unq 9 iso 0 dist 9.68513 5.87253 9.47845 10.0419 13.9614 5.52379 numMergedOcc 0
89 mol 238 unq 10 iso 0 dist 9.29858 10.7551 9.47845 12.2442 13.9614 5.52379 numMergedOcc 0
90 mol 238 unq 11 iso 0 dist 9.90142 10.7508 6.92409 13.6591 12.3042 5.52379 numMergedOcc 0
91 mol 238 unq 12 iso 0 dist 5.9216 5.87253 6.92409 10.0419 12.3042 5.52379 numMergedOcc 0
92 mol 238 unq 13 iso 0 dist 7.49471 13.0113 6.89694 11.0896 5.54325 5.52379 numMergedOcc 0
93 mol 238 unq 14 iso 0 dist 7.49471 10.216 6.44735 6.22714 5.17471 5.64181 numMergedOcc 0
94 mol 238 unq 15 iso 0 dist 7.49471 10.216 6.44735 12.6642 10.7999 7.61393 numMergedOcc 0
95 mol 238 unq 16 iso 0 dist 7.19008 11.0349 6.89694 11.5794 5.54325 5.52379 numMergedOcc 0
96 mol 238 unq 17 iso 0 dist 7.19008 7.83352 6.44735 7.31233 5.17471 5.64181 numMergedOcc 0
97 mol 238 unq 18 iso 0 dist 7.19008 7.83352 6.44735 13.1583 10.7999 7.61393 numMergedOcc 0
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99 mol 239 unq 1 iso 0 dist 8.1777 5.66732 7.94894 13.6473 9.8202 8.67805 numMergedOcc 0
100 mol 248 unq 0 iso 0 dist 6.07192 5.99459 8.53148 7.69895 6.48757 6.17052 numMergedOcc 0
101 mol 248 unq 1 iso 0 dist 6.07192 5.99459 8.53148 7.21521 5.51827 9.77666 numMergedOcc 0
102 mol 252 unq 0 iso 0 dist 7.66365 9.32326 6.57207 8.1148 4.23801 6.11473 numMergedOcc 0
103 mol 252 unq 1 iso 0 dist 7.66365 5.89666 5.2361 8.1148 4.23801 8.47784 numMergedOcc 0
104 mol 252 unq 2 iso 0 dist 7.66365 5.89666 5.2361 14.2744 9.12442 8.66469 numMergedOcc 0
105 mol 259 unq 0 iso 0 dist 7.48005 5.60748 6.39918 7.46176 5.79468 8.55558 numMergedOcc 0
106 mol 259 unq 1 iso 0 dist 7.48005 5.60748 6.39918 12.0576 5.31048 8.59697 numMergedOcc 0
107 mol 259 unq 2 iso 0 dist 8.37865 7.31951 6.39918 11.858 5.79468 8.55558 numMergedOcc 0
108 mol 259 unq 3 iso 0 dist 8.37865 7.31951 6.39918 5.30224 5.31048 8.59697 numMergedOcc 0
109 mol 261 unq 0 iso 0 dist 7.47164 6.04016 9.24121 9.14619 7.49174 5.26434 numMergedOcc 0
110 mol 261 unq 1 iso 0 dist 7.47164 6.04016 9.24121 8.45658 5.22253 8.60026 numMergedOcc 0
111 mol 272 unq 0 iso 0 dist 6.16449 4.86504 7.55161 9.97651 4.72202 9.64269 numMergedOcc 0
112 mol 272 unq 1 iso 0 dist 6.16449 4.86504 7.55161 10.1698 8.5751 6.88809 numMergedOcc 0
113 mol 272 unq 2 iso 0 dist 6.16449 4.86504 7.55161 8.46116 8.52877 8.46061 numMergedOcc 0
114 mol 294 unq 0 iso 0 dist 9.03492 5.25615 8.32473 8.15665 6.17102 9.13907 numMergedOcc 0
