0 mol 8 unq 0 iso 0 dist 8.99126 5.02333 8.94096 9.88063 13.7792 6.82379 12.2927 12.7056 8.77457 4.94497 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.99126 5.02333 8.94096 11.0287 10.6893 6.24978 12.2927 12.7056 8.77457 5.61772 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.99126 5.02333 8.94096 14.5532 13.8882 9.66439 12.2927 12.7056 8.77457 10.4848 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.99126 5.02333 8.94096 10.5239 12.8924 7.3915 12.2927 12.7056 8.77457 14.1378 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 6.33889 11.0722 9.82483 15.1483 13.5628 7.05346 9.62394 6.0397 8.076 8.50424 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.75144 6.00575 8.62284 6.86014 5.39241 6.60423 7.33768 5.90981 9.69752 4.32034 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.75144 6.00575 8.62284 6.86014 5.39241 6.60423 7.29868 13.719 9.36461 8.52463 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.75144 6.00575 8.62284 11.573 4.51549 7.83786 7.33768 5.90981 9.69752 9.6469 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 9.75144 6.00575 8.62284 11.573 4.51549 7.83786 7.29868 13.719 9.36461 14.6654 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 6.79146 9.44878 6.82089 14.5247 10.3933 9.28592 7.88805 6.08911 9.13191 8.01932 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 6.79146 9.44878 6.82089 14.5247 10.3933 9.28592 15.7868 11.562 6.95405 6.75397 numMergedOcc 0
11 mol 130 unq 2 iso 0 dist 7.66168 4.28797 6.82089 10.3889 10.3933 9.28592 7.90048 6.08911 9.13191 8.01932 numMergedOcc 0
12 mol 130 unq 3 iso 0 dist 7.66168 4.28797 6.82089 10.3889 10.3933 9.28592 9.99802 11.562 6.95405 6.75397 numMergedOcc 0
13 mol 130 unq 4 iso 0 dist 6.89257 6.97875 6.82089 15.2264 10.3933 9.28592 11.5527 6.08911 9.13191 8.01932 numMergedOcc 0
14 mol 130 unq 5 iso 0 dist 6.89257 6.97875 6.82089 15.2264 10.3933 9.28592 13.6341 11.562 6.95405 6.75397 numMergedOcc 0
15 mol 130 unq 6 iso 0 dist 9.12581 4.28797 5.38314 10.3889 9.16988 9.28592 7.90048 10.0581 9.13191 8.01932 numMergedOcc 0
16 mol 130 unq 7 iso 0 dist 9.12581 4.28797 5.38314 10.3889 9.16988 9.28592 9.99802 7.20197 6.95405 6.75397 numMergedOcc 0
17 mol 130 unq 8 iso 0 dist 8.74308 6.97875 5.38314 15.2264 9.16988 9.28592 11.5527 10.0581 9.13191 8.01932 numMergedOcc 0
18 mol 130 unq 9 iso 0 dist 8.74308 6.97875 5.38314 15.2264 9.16988 9.28592 13.6341 7.20197 6.95405 6.75397 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 8.33261 12.6979 7.01133 17.5352 10.1972 5.49226 10.3047 7.66774 7.25644 11.1681 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 8.33261 12.6979 7.01133 14.5625 8.54341 6.28351 10.3047 7.66774 7.25644 5.50251 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 9.31887 13.9336 7.01126 19.63 11.1651 7.35824 10.4182 4.30489 5.89564 11.8693 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 9.31887 13.9336 7.01126 19.63 11.1651 7.35824 13.5281 4.57622 5.60528 6.77832 numMergedOcc 0
23 mol 175 unq 2 iso 0 dist 9.31887 11.873 6.58434 19.63 11.1651 9.17364 13.5281 4.57622 5.5995 6.77832 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 7.20046 5.93488 7.345 5.98885 5.4601 6.51749 9.72611 9.87435 7.11785 5.6044 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 7.20046 5.93488 7.345 9.09537 6.14208 7.20392 9.72611 9.87435 7.11785 12.9468 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 7.13543 5.93488 9.52987 5.98885 10.0524 6.51749 9.72611 14.6648 7.11785 5.6044 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 7.13543 5.93488 9.52987 9.09537 5.95965 7.20392 9.72611 14.6648 7.11785 12.9468 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 9.19704 5.28092 5.42696 6.03031 8.66809 8.44861 9.53629 11.8917 9.17946 13.0658 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 9.19704 5.28092 5.42696 7.26832 6.23291 5.60393 9.53629 11.8917 9.17946 14.4523 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 7.18041 5.7776 6.86795 10.3145 6.05563 6.29367 9.71337 5.89482 8.3087 4.92618 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 7.18041 5.7776 6.86795 10.9501 9.68444 5.76954 9.71337 5.89482 8.3087 7.84019 numMergedOcc 0
32 mol 218 unq 2 iso 0 dist 7.18041 5.7776 6.86795 14.7187 11.4148 9.20961 9.71337 5.89482 8.3087 10.9043 numMergedOcc 0
33 mol 218 unq 3 iso 0 dist 7.17547 5.7776 6.61099 10.3145 8.36122 6.29367 9.71337 6.65167 8.3087 4.92618 numMergedOcc 0
34 mol 218 unq 4 iso 0 dist 7.17547 5.7776 6.61099 10.9501 7.47048 5.76954 9.71337 6.65167 8.3087 7.84019 numMergedOcc 0
35 mol 218 unq 5 iso 0 dist 7.17547 5.7776 6.61099 14.7187 12.7963 9.20961 9.71337 6.65167 8.3087 10.9043 numMergedOcc 0
36 mol 218 unq 6 iso 0 dist 7.13323 9.97783 6.61099 14.6103 8.36122 6.29367 13.4119 6.65167 8.3087 4.92618 numMergedOcc 0
37 mol 218 unq 7 iso 0 dist 7.13323 9.97783 6.61099 12.8943 7.47048 5.76954 13.4119 6.65167 8.3087 7.84019 numMergedOcc 0
38 mol 218 unq 8 iso 0 dist 7.13323 9.97783 6.61099 18.1262 12.7963 9.20961 13.4119 6.65167 8.3087 10.9043 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 7.39747 5.66732 7.18771 13.6473 10.0774 8.67805 9.01021 5.2908 5.0804 5.05321 numMergedOcc 0
40 mol 239 unq 1 iso 0 dist 8.1777 5.66732 7.94894 13.6473 9.8202 8.67805 9.01021 5.91881 5.0804 5.05321 numMergedOcc 0
41 mol 261 unq 0 iso 0 dist 7.47164 6.04016 9.24121 9.14619 7.49174 5.26434 10.7876 10.0785 8.61563 7.39176 numMergedOcc 0
42 mol 261 unq 1 iso 0 dist 7.47164 6.04016 9.24121 8.45658 5.22253 8.60026 10.7876 10.0785 8.61563 12.8544 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 6.16449 4.86504 7.55161 9.97651 4.72202 9.64269 12.0724 12.015 9.18635 10.2227 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 6.16449 4.86504 7.55161 10.1698 8.5751 6.88809 12.0724 12.015 9.18635 5.02308 numMergedOcc 0
45 mol 272 unq 2 iso 0 dist 6.16449 4.86504 7.55161 8.46116 8.52877 8.46061 12.0724 12.015 9.18635 6.32008 numMergedOcc 0
