0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 10.2446 7.88043 7.45262 10.5461 12.2041 10.515 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 7.31201 10.789 5.44992 5.72491 9.55056 12.2333 12.2041 12.2708 7.88043 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 7.31201 10.789 4.74523 9.67579 7.57354 12.2333 12.2041 12.2708 8.80762 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.36807 10.515 5.44992 5.72491 7.45262 12.2333 12.2041 6.06176 7.88043 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 9.36807 10.515 4.74523 9.67579 6.96586 12.2333 12.2041 6.06176 8.80762 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.57077 6.33889 11.4878 11.0722 8.83269 9.82483 15.1483 9.76038 13.5628 7.05346 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 5.46498 8.41862 6.73355 6.70071 6.56335 7.40724 9.80614 5.5251 4.77289 7.2668 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 8.71745 8.16785 6.73355 4.50891 6.56335 7.40724 10.2909 5.5251 4.77289 7.2668 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 6.00575 6.60423 8.62284 11.573 7.05502 4.51549 7.83786 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 6.11741 6.99777 10.8292 7.3094 10.9734 9.9928 7.88312 7.69052 11.7126 5.72642 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 4.91132 8.56342 5.85818 10.3704 4.85907 7.36192 7.99857 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 7.61939 7.99857 9.87025 12.6489 4.85907 10.0197 8.56342 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 7.61939 7.99857 5.85818 12.6489 4.85907 10.6679 8.56342 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 6.18601 8.43904 10.3457 10.326 14.6439 9.87025 10.1813 10.9871 6.35763 7.99857 numMergedOcc 0
14 mol 119 unq 4 iso 0 dist 6.18601 8.43904 10.3457 10.326 14.6439 9.87025 9.72413 9.93257 10.0197 8.56342 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 6.97875 10.3572 6.82089 15.2264 15.7504 10.3933 9.28592 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 8.70949 8.74308 6.76754 6.97875 10.3572 5.38314 15.2264 15.7504 9.16988 9.28592 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 13.9336 12.6297 7.01126 19.63 19.6867 11.1651 7.35824 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 9.0018 9.31887 11.0415 11.873 15.2721 6.58434 19.63 19.6867 11.1651 9.17364 numMergedOcc 0
19 mol 175 unq 2 iso 0 dist 7.652 9.31887 5.0384 13.9336 10.1905 7.01126 19.63 15.5713 11.1651 7.35824 numMergedOcc 0
20 mol 175 unq 3 iso 0 dist 7.652 9.31887 5.0384 11.873 11.1503 6.58434 19.63 15.5713 11.1651 9.17364 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 5.93488 6.51749 7.345 9.09537 10.1912 6.14208 7.20392 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 5.98885 7.13543 10.0524 5.93488 6.51749 9.52987 9.09537 10.1912 5.95965 7.20392 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 9.09537 7.20046 6.14208 5.93488 7.20392 7.345 5.98885 10.1912 5.4601 6.51749 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 9.09537 7.13543 5.95965 5.93488 7.20392 9.52987 5.98885 10.1912 10.0524 6.51749 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 6.03031 9.19704 8.66809 5.28092 8.44861 5.42696 7.26832 7.38516 6.23291 5.60393 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 5.28092 5.60393 5.42696 6.03031 7.38516 8.66809 8.44861 numMergedOcc 0
27 mol 205 unq 2 iso 0 dist 7.80463 9.19704 13.231 5.28092 11.3521 5.42696 6.03031 8.18714 8.66809 8.44861 numMergedOcc 0
28 mol 205 unq 3 iso 0 dist 7.80463 9.19704 13.231 5.28092 11.3521 5.42696 7.26832 13.8543 6.23291 5.60393 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 7.09863 8.17891 9.13836 10.5813 12.2278 7.1372 7.22101 4.39704 6.43754 8.03442 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.57393 5.38637 6.20606 11.1167 13.7544 8.6597 10.0756 14.0328 10.4664 5.64181 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 6.57393 5.38637 6.20606 11.1167 13.7544 8.6597 14.6071 15.8898 13.3539 7.61393 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 5.72887 9.29858 13.069 10.7551 11.2809 9.47845 12.2442 10.027 13.9614 5.52379 numMergedOcc 0
33 mol 238 unq 3 iso 0 dist 6.22714 7.49471 5.17471 13.0113 11.9624 6.89694 11.0896 10.1813 5.54325 5.52379 numMergedOcc 0
34 mol 238 unq 4 iso 0 dist 6.22714 7.49471 5.17471 10.216 5.64181 6.44735 12.6642 6.85126 10.7999 7.61393 numMergedOcc 0
35 mol 238 unq 5 iso 0 dist 7.31233 6.55759 10.4664 7.83352 5.64181 8.6597 13.1583 6.85126 13.3539 7.61393 numMergedOcc 0
36 mol 238 unq 6 iso 0 dist 7.31233 7.02475 11.2717 7.83352 5.64181 7.47235 13.1583 6.85126 14.7509 7.61393 numMergedOcc 0
37 mol 238 unq 7 iso 0 dist 7.31233 7.67322 12.6986 11.0349 11.9624 7.61203 11.5794 10.1813 11.6239 5.52379 numMergedOcc 0
38 mol 238 unq 8 iso 0 dist 7.31233 7.19008 5.17471 11.0349 11.9624 6.89694 11.5794 10.1813 5.54325 5.52379 numMergedOcc 0
39 mol 238 unq 9 iso 0 dist 7.31233 7.19008 5.17471 7.83352 5.64181 6.44735 13.1583 6.85126 10.7999 7.61393 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 7.00034 7.39747 6.26168 5.66732 10.2163 7.18771 13.6473 14.7505 10.0774 8.67805 numMergedOcc 0
41 mol 239 unq 1 iso 0 dist 7.00034 8.1777 5.39146 5.66732 10.2163 7.94894 13.6473 14.7505 9.8202 8.67805 numMergedOcc 0
42 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 5.99459 6.17052 8.53148 7.21521 5.55137 5.51827 9.77666 numMergedOcc 0
43 mol 248 unq 1 iso 0 dist 7.21521 6.07192 5.51827 5.99459 9.77666 8.53148 7.69895 5.55137 6.48757 6.17052 numMergedOcc 0
44 mol 248 unq 2 iso 0 dist 8.2965 6.07192 9.29921 5.99459 13.0539 8.53148 7.69895 10.8081 6.48757 6.17052 numMergedOcc 0
45 mol 248 unq 3 iso 0 dist 8.2965 6.07192 9.29921 5.99459 13.0539 8.53148 7.21521 5.86196 5.51827 9.77666 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 8.1148 7.66365 4.23801 5.89666 8.47784 5.2361 14.2744 13.2361 9.12442 8.66469 numMergedOcc 0
47 mol 252 unq 1 iso 0 dist 8.33025 7.66365 9.37715 9.32326 10.7615 6.57207 8.1148 6.0987 4.23801 6.11473 numMergedOcc 0
48 mol 252 unq 2 iso 0 dist 8.33025 7.66365 9.37715 5.89666 12.0482 5.2361 8.1148 6.0987 4.23801 8.47784 numMergedOcc 0
49 mol 252 unq 3 iso 0 dist 8.33025 7.66365 9.37715 5.89666 12.0482 5.2361 14.2744 18.3074 9.12442 8.66469 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 5.60748 10.5803 6.39918 7.46176 6.96053 5.79468 8.55558 numMergedOcc 0
51 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 5.60748 10.5803 6.39918 12.0576 15.8535 5.31048 8.59697 numMergedOcc 0
52 mol 259 unq 2 iso 0 dist 7.84554 7.48005 11.8736 5.60748 12.4037 6.39918 7.46176 7.64658 5.79468 8.55558 numMergedOcc 0
53 mol 259 unq 3 iso 0 dist 7.84554 7.48005 11.8736 5.60748 12.4037 6.39918 12.0576 16.9228 5.31048 8.59697 numMergedOcc 0
54 mol 259 unq 4 iso 0 dist 7.46176 7.48005 5.79468 5.60748 8.55558 6.39918 12.0576 9.98105 5.31048 8.59697 numMergedOcc 0
55 mol 259 unq 5 iso 0 dist 5.30224 8.37865 5.31048 7.31951 8.59697 6.39918 11.858 9.98105 5.79468 8.55558 numMergedOcc 0
56 mol 259 unq 6 iso 0 dist 9.18903 7.48005 12.6649 5.60748 14.4498 6.39918 7.46176 10.5239 5.79468 8.55558 numMergedOcc 0
57 mol 259 unq 7 iso 0 dist 9.18903 7.48005 12.6649 5.60748 14.4498 6.39918 12.0576 17.9439 5.31048 8.59697 numMergedOcc 0
58 mol 261 unq 0 iso 0 dist 9.14619 7.47164 7.49174 6.04016 5.26434 9.24121 8.45658 7.00201 5.22253 8.60026 numMergedOcc 0
59 mol 261 unq 1 iso 0 dist 8.45658 7.47164 5.22253 6.04016 8.60026 9.24121 9.14619 7.00201 7.49174 5.26434 numMergedOcc 0
60 mol 272 unq 0 iso 0 dist 9.97651 6.16449 4.72202 4.86504 9.64269 7.55161 10.1698 6.6954 8.5751 6.88809 numMergedOcc 0
61 mol 272 unq 1 iso 0 dist 9.97651 6.16449 4.72202 4.86504 9.64269 7.55161 8.46116 8.12676 8.52877 8.46061 numMergedOcc 0
62 mol 272 unq 2 iso 0 dist 8.46116 6.16449 8.52877 4.86504 8.46061 7.55161 9.97651 8.12676 4.72202 9.64269 numMergedOcc 0
63 mol 272 unq 3 iso 0 dist 8.46116 6.16449 8.52877 4.86504 8.46061 7.55161 10.1698 7.34222 8.5751 6.88809 numMergedOcc 0
