0 mol 7 unq 0 iso 0 dist 6.36911 10.2446 7.45262 10.5461 10.515 5.72491 8.41585 6.06176 7.88043 12.2041 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 6.36911 10.2446 7.45262 8.41585 6.06176 7.88043 10.5461 10.515 5.72491 12.2041 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.31201 5.44992 9.55056 7.10621 10.789 5.72491 12.2333 12.2708 7.88043 12.2041 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 7.31201 5.44992 9.55056 12.2333 12.2708 7.88043 7.10621 10.789 5.72491 12.2041 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 9.36807 5.44992 7.45262 7.10621 10.515 5.72491 12.2333 6.06176 7.88043 12.2041 numMergedOcc 0
5 mol 7 unq 2 iso 1 dist 9.36807 5.44992 7.45262 12.2333 6.06176 7.88043 7.10621 10.515 5.72491 12.2041 numMergedOcc 0
6 mol 8 unq 0 iso 0 dist 8.99126 5.02333 8.94096 9.88063 13.7792 6.82379 11.0287 10.6893 6.24978 6.94408 numMergedOcc 0
7 mol 8 unq 0 iso 1 dist 8.99126 5.02333 8.94096 11.0287 10.6893 6.24978 9.88063 13.7792 6.82379 6.94408 numMergedOcc 0
8 mol 8 unq 1 iso 0 dist 8.99126 5.02333 8.94096 9.88063 13.7792 6.82379 14.5532 13.8882 9.66439 11.2508 numMergedOcc 0
9 mol 8 unq 1 iso 1 dist 8.99126 5.02333 8.94096 14.5532 13.8882 9.66439 9.88063 13.7792 6.82379 11.2508 numMergedOcc 0
10 mol 8 unq 2 iso 0 dist 8.99126 5.02333 8.94096 9.88063 13.7792 6.82379 10.5239 12.8924 7.3915 12.4076 numMergedOcc 0
11 mol 8 unq 2 iso 1 dist 8.99126 5.02333 8.94096 10.5239 12.8924 7.3915 9.88063 13.7792 6.82379 12.4076 numMergedOcc 0
12 mol 8 unq 1 iso 0 dist 8.99126 5.02333 8.94096 11.0287 10.6893 6.24978 14.5532 13.8882 9.66439 5.3787 numMergedOcc 0
13 mol 8 unq 1 iso 1 dist 8.99126 5.02333 8.94096 14.5532 13.8882 9.66439 11.0287 10.6893 6.24978 5.3787 numMergedOcc 0
14 mol 8 unq 2 iso 0 dist 8.99126 5.02333 8.94096 11.0287 10.6893 6.24978 10.5239 12.8924 7.3915 9.22548 numMergedOcc 0
15 mol 8 unq 2 iso 1 dist 8.99126 5.02333 8.94096 10.5239 12.8924 7.3915 11.0287 10.6893 6.24978 9.22548 numMergedOcc 0
16 mol 8 unq 2 iso 0 dist 8.99126 5.02333 8.94096 14.5532 13.8882 9.66439 10.5239 12.8924 7.3915 7.96511 numMergedOcc 0
17 mol 8 unq 2 iso 1 dist 8.99126 5.02333 8.94096 10.5239 12.8924 7.3915 14.5532 13.8882 9.66439 7.96511 numMergedOcc 0
18 mol 16 unq 0 iso 0 dist 8.41862 6.70071 7.40724 5.46498 6.73355 6.56335 9.80614 4.77289 7.2668 5.5251 numMergedOcc 0
19 mol 16 unq 0 iso 1 dist 8.41862 6.70071 7.40724 9.80614 4.77289 7.2668 5.46498 6.73355 6.56335 5.5251 numMergedOcc 0
20 mol 16 unq 1 iso 0 dist 8.16785 4.50891 7.40724 8.71745 6.73355 6.56335 10.2909 4.77289 7.2668 5.5251 numMergedOcc 0
21 mol 16 unq 1 iso 1 dist 8.16785 4.50891 7.40724 10.2909 4.77289 7.2668 8.71745 6.73355 6.56335 5.5251 numMergedOcc 0
22 mol 24 unq 0 iso 0 dist 9.75144 6.00575 8.62284 6.86014 5.39241 6.60423 11.573 4.51549 7.83786 7.05502 numMergedOcc 0
23 mol 24 unq 0 iso 1 dist 9.75144 6.00575 8.62284 11.573 4.51549 7.83786 6.86014 5.39241 6.60423 7.05502 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 7.39889 9.3046 5.85818 14.5183 7.36192 7.99857 16.7981 10.6679 8.56342 4.85907 numMergedOcc 0
25 mol 119 unq 0 iso 1 dist 7.39889 9.3046 5.85818 16.7981 10.6679 8.56342 14.5183 7.36192 7.99857 4.85907 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 9.63176 4.91132 5.85818 10.3704 7.36192 7.99857 8.73993 10.6679 8.56342 4.85907 numMergedOcc 0
27 mol 119 unq 1 iso 1 dist 9.63176 4.91132 5.85818 8.73993 10.6679 8.56342 10.3704 7.36192 7.99857 4.85907 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 6.19042 7.61939 9.87025 9.87172 6.35763 7.99857 12.6489 10.0197 8.56342 4.85907 numMergedOcc 0
29 mol 119 unq 2 iso 1 dist 6.19042 7.61939 9.87025 12.6489 10.0197 8.56342 9.87172 6.35763 7.99857 4.85907 numMergedOcc 0
30 mol 119 unq 3 iso 0 dist 7.44174 7.61939 5.85818 9.87172 7.36192 7.99857 12.6489 10.6679 8.56342 4.85907 numMergedOcc 0
31 mol 119 unq 3 iso 1 dist 7.44174 7.61939 5.85818 12.6489 10.6679 8.56342 9.87172 7.36192 7.99857 4.85907 numMergedOcc 0
32 mol 119 unq 4 iso 0 dist 8.43904 10.326 9.87025 10.1813 6.35763 7.99857 9.72413 10.0197 8.56342 4.85907 numMergedOcc 0
33 mol 119 unq 4 iso 1 dist 8.43904 10.326 9.87025 9.72413 10.0197 8.56342 10.1813 6.35763 7.99857 4.85907 numMergedOcc 0
34 mol 147 unq 0 iso 0 dist 8.33261 12.6979 7.01133 17.5352 10.1972 5.49226 14.5625 8.54341 6.28351 7.15222 numMergedOcc 0
35 mol 147 unq 0 iso 1 dist 8.33261 12.6979 7.01133 14.5625 8.54341 6.28351 17.5352 10.1972 5.49226 7.15222 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 7.20046 5.93488 7.345 5.98885 5.4601 6.51749 9.09537 6.14208 7.20392 10.1912 numMergedOcc 0
37 mol 181 unq 0 iso 1 dist 7.20046 5.93488 7.345 9.09537 6.14208 7.20392 5.98885 5.4601 6.51749 10.1912 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 7.13543 5.93488 9.52987 5.98885 10.0524 6.51749 9.09537 5.95965 7.20392 10.1912 numMergedOcc 0
39 mol 181 unq 1 iso 1 dist 7.13543 5.93488 9.52987 9.09537 5.95965 7.20392 5.98885 10.0524 6.51749 10.1912 numMergedOcc 0
40 mol 198 unq 0 iso 0 dist 7.90031 6.74772 8.15936 12.0399 5.72073 9.18635 13.7844 12.2117 8.10985 11.6493 numMergedOcc 0
41 mol 198 unq 0 iso 1 dist 7.90031 6.74772 8.15936 13.7844 12.2117 8.10985 12.0399 5.72073 9.18635 11.6493 numMergedOcc 0
42 mol 198 unq 1 iso 0 dist 7.21533 6.74772 8.16598 12.0399 9.94078 9.18635 13.7844 10.8191 8.10985 11.6493 numMergedOcc 0
43 mol 198 unq 1 iso 1 dist 7.21533 6.74772 8.16598 13.7844 10.8191 8.10985 12.0399 9.94078 9.18635 11.6493 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 9.19704 5.28092 5.42696 6.03031 8.66809 8.44861 7.26832 6.23291 5.60393 7.38516 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 9.19704 5.28092 5.42696 7.26832 6.23291 5.60393 6.03031 8.66809 8.44861 7.38516 numMergedOcc 0
46 mol 218 unq 0 iso 0 dist 7.18041 5.7776 6.86795 10.3145 6.05563 6.29367 10.9501 9.68444 5.76954 4.72474 numMergedOcc 0
47 mol 218 unq 0 iso 1 dist 7.18041 5.7776 6.86795 10.9501 9.68444 5.76954 10.3145 6.05563 6.29367 4.72474 numMergedOcc 0
48 mol 218 unq 1 iso 0 dist 7.18041 5.7776 6.86795 10.3145 6.05563 6.29367 14.7187 11.4148 9.20961 6.17651 numMergedOcc 0
49 mol 218 unq 1 iso 1 dist 7.18041 5.7776 6.86795 14.7187 11.4148 9.20961 10.3145 6.05563 6.29367 6.17651 numMergedOcc 0
50 mol 218 unq 1 iso 0 dist 7.18041 5.7776 6.86795 10.9501 9.68444 5.76954 14.7187 11.4148 9.20961 5.61978 numMergedOcc 0
51 mol 218 unq 1 iso 1 dist 7.18041 5.7776 6.86795 14.7187 11.4148 9.20961 10.9501 9.68444 5.76954 5.61978 numMergedOcc 0
52 mol 218 unq 2 iso 0 dist 7.17547 5.7776 6.61099 10.3145 8.36122 6.29367 10.9501 7.47048 5.76954 4.72474 numMergedOcc 0
53 mol 218 unq 2 iso 1 dist 7.17547 5.7776 6.61099 10.9501 7.47048 5.76954 10.3145 8.36122 6.29367 4.72474 numMergedOcc 0
54 mol 218 unq 3 iso 0 dist 7.17547 5.7776 6.61099 10.3145 8.36122 6.29367 14.7187 12.7963 9.20961 6.17651 numMergedOcc 0
55 mol 218 unq 3 iso 1 dist 7.17547 5.7776 6.61099 14.7187 12.7963 9.20961 10.3145 8.36122 6.29367 6.17651 numMergedOcc 0
56 mol 218 unq 3 iso 0 dist 7.17547 5.7776 6.61099 10.9501 7.47048 5.76954 14.7187 12.7963 9.20961 5.61978 numMergedOcc 0
57 mol 218 unq 3 iso 1 dist 7.17547 5.7776 6.61099 14.7187 12.7963 9.20961 10.9501 7.47048 5.76954 5.61978 numMergedOcc 0
58 mol 218 unq 4 iso 0 dist 7.13323 9.97783 6.61099 14.6103 8.36122 6.29367 12.8943 7.47048 5.76954 4.72474 numMergedOcc 0
59 mol 218 unq 4 iso 1 dist 7.13323 9.97783 6.61099 12.8943 7.47048 5.76954 14.6103 8.36122 6.29367 4.72474 numMergedOcc 0
60 mol 218 unq 5 iso 0 dist 7.13323 9.97783 6.61099 14.6103 8.36122 6.29367 18.1262 12.7963 9.20961 6.17651 numMergedOcc 0
61 mol 218 unq 5 iso 1 dist 7.13323 9.97783 6.61099 18.1262 12.7963 9.20961 14.6103 8.36122 6.29367 6.17651 numMergedOcc 0
62 mol 218 unq 5 iso 0 dist 7.13323 9.97783 6.61099 12.8943 7.47048 5.76954 18.1262 12.7963 9.20961 5.61978 numMergedOcc 0
63 mol 218 unq 5 iso 1 dist 7.13323 9.97783 6.61099 18.1262 12.7963 9.20961 12.8943 7.47048 5.76954 5.61978 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 5.38637 11.1167 8.6597 10.0756 10.4664 5.64181 14.6071 13.3539 7.61393 6.85126 numMergedOcc 0
65 mol 238 unq 0 iso 1 dist 5.38637 11.1167 8.6597 14.6071 13.3539 7.61393 10.0756 10.4664 5.64181 6.85126 numMergedOcc 0
66 mol 238 unq 1 iso 0 dist 6.55759 7.83352 8.6597 7.31233 10.4664 5.64181 13.1583 13.3539 7.61393 6.85126 numMergedOcc 0
67 mol 238 unq 1 iso 1 dist 6.55759 7.83352 8.6597 13.1583 13.3539 7.61393 7.31233 10.4664 5.64181 6.85126 numMergedOcc 0
68 mol 238 unq 2 iso 0 dist 8.96531 7.69482 7.47235 12.4767 11.2717 5.64181 13.6867 14.7509 7.61393 6.85126 numMergedOcc 0
69 mol 238 unq 2 iso 1 dist 8.96531 7.69482 7.47235 13.6867 14.7509 7.61393 12.4767 11.2717 5.64181 6.85126 numMergedOcc 0
70 mol 238 unq 3 iso 0 dist 7.02475 7.83352 7.47235 7.31233 11.2717 5.64181 13.1583 14.7509 7.61393 6.85126 numMergedOcc 0
71 mol 238 unq 3 iso 1 dist 7.02475 7.83352 7.47235 13.1583 14.7509 7.61393 7.31233 11.2717 5.64181 6.85126 numMergedOcc 0
72 mol 238 unq 4 iso 0 dist 7.49471 10.216 6.44735 6.22714 5.17471 5.64181 12.6642 10.7999 7.61393 6.85126 numMergedOcc 0
73 mol 238 unq 4 iso 1 dist 7.49471 10.216 6.44735 12.6642 10.7999 7.61393 6.22714 5.17471 5.64181 6.85126 numMergedOcc 0
74 mol 238 unq 5 iso 0 dist 7.19008 7.83352 6.44735 7.31233 5.17471 5.64181 13.1583 10.7999 7.61393 6.85126 numMergedOcc 0
75 mol 238 unq 5 iso 1 dist 7.19008 7.83352 6.44735 13.1583 10.7999 7.61393 7.31233 5.17471 5.64181 6.85126 numMergedOcc 0
76 mol 248 unq 0 iso 0 dist 6.07192 5.99459 8.53148 7.69895 6.48757 6.17052 7.21521 5.51827 9.77666 5.55137 numMergedOcc 0
77 mol 248 unq 0 iso 1 dist 6.07192 5.99459 8.53148 7.21521 5.51827 9.77666 7.69895 6.48757 6.17052 5.55137 numMergedOcc 0
78 mol 252 unq 0 iso 0 dist 7.66365 5.89666 5.2361 8.1148 4.23801 8.47784 14.2744 9.12442 8.66469 13.2361 numMergedOcc 0
79 mol 252 unq 0 iso 1 dist 7.66365 5.89666 5.2361 14.2744 9.12442 8.66469 8.1148 4.23801 8.47784 13.2361 numMergedOcc 0
80 mol 259 unq 0 iso 0 dist 7.48005 5.60748 6.39918 7.46176 5.79468 8.55558 12.0576 5.31048 8.59697 9.98105 numMergedOcc 0
81 mol 259 unq 0 iso 1 dist 7.48005 5.60748 6.39918 12.0576 5.31048 8.59697 7.46176 5.79468 8.55558 9.98105 numMergedOcc 0
82 mol 259 unq 1 iso 0 dist 8.37865 7.31951 6.39918 11.858 5.79468 8.55558 5.30224 5.31048 8.59697 9.98105 numMergedOcc 0
83 mol 259 unq 1 iso 1 dist 8.37865 7.31951 6.39918 5.30224 5.31048 8.59697 11.858 5.79468 8.55558 9.98105 numMergedOcc 0
84 mol 261 unq 0 iso 0 dist 7.47164 6.04016 9.24121 9.14619 7.49174 5.26434 8.45658 5.22253 8.60026 7.00201 numMergedOcc 0
85 mol 261 unq 0 iso 1 dist 7.47164 6.04016 9.24121 8.45658 5.22253 8.60026 9.14619 7.49174 5.26434 7.00201 numMergedOcc 0
86 mol 272 unq 0 iso 0 dist 6.16449 4.86504 7.55161 9.97651 4.72202 9.64269 10.1698 8.5751 6.88809 6.6954 numMergedOcc 0
87 mol 272 unq 0 iso 1 dist 6.16449 4.86504 7.55161 10.1698 8.5751 6.88809 9.97651 4.72202 9.64269 6.6954 numMergedOcc 0
88 mol 272 unq 1 iso 0 dist 6.16449 4.86504 7.55161 9.97651 4.72202 9.64269 8.46116 8.52877 8.46061 8.12676 numMergedOcc 0
89 mol 272 unq 1 iso 1 dist 6.16449 4.86504 7.55161 8.46116 8.52877 8.46061 9.97651 4.72202 9.64269 8.12676 numMergedOcc 0
90 mol 272 unq 1 iso 0 dist 6.16449 4.86504 7.55161 10.1698 8.5751 6.88809 8.46116 8.52877 8.46061 7.34222 numMergedOcc 0
91 mol 272 unq 1 iso 1 dist 6.16449 4.86504 7.55161 8.46116 8.52877 8.46061 10.1698 8.5751 6.88809 7.34222 numMergedOcc 0
