0 mol 48 unq 0 iso 0 dist 6.04551 6.8073 6.62574 7.49794 13.0811 13.357 10.7407 11.8515 8.12997 16.2577 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.04551 6.8073 6.62574 7.49794 13.0811 13.357 10.8995 11.4609 6.13153 16.7052 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 6.04551 6.8073 6.62574 7.49794 13.0811 13.357 10.5685 11.7814 5.7836 14.7552 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 6.04551 6.8073 6.62574 7.49794 13.0811 13.357 5.44298 10.5277 7.32996 8.0812 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 6.04551 6.8073 6.62574 7.49794 13.0811 13.357 4.92775 7.87476 5.89173 10.7595 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 6.04551 5.60663 9.48836 7.49794 13.0811 6.34854 11.8742 17.3996 8.56365 6.36817 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 6.04551 5.60663 9.48836 7.49794 13.0811 6.34854 5.44298 10.5277 7.47783 8.0812 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 6.04551 5.60663 9.48836 7.49794 13.0811 6.34854 9.10301 15.1421 8.74151 4.17933 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 6.04551 5.60663 9.48836 7.49794 13.0811 6.34854 7.24268 13.1766 8.69662 5.54893 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 8.36915 6.42242 13.1229 5.43913 5.44336 10.8889 10.3657 18.3474 7.84895 15.6593 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 8.36915 6.42242 13.1229 5.43913 5.44336 10.8889 10.4457 18.271 5.8541 15.5128 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 8.36915 6.42242 13.1229 5.43913 5.44336 10.8889 10.1874 16.0732 5.82264 12.867 numMergedOcc 0
12 mol 48 unq 12 iso 0 dist 8.36915 6.42242 13.1229 5.43913 5.44336 10.8889 5.39197 13.1828 7.20729 8.65524 numMergedOcc 0
13 mol 48 unq 13 iso 0 dist 8.36915 6.42242 13.1229 5.43913 5.44336 10.8889 4.89976 13.0903 5.72703 10.0937 numMergedOcc 0
14 mol 48 unq 14 iso 0 dist 8.36915 6.42242 13.1229 8.26877 10.4965 13.697 10.3657 18.3474 7.84895 16.3718 numMergedOcc 0
15 mol 48 unq 15 iso 0 dist 8.36915 6.42242 13.1229 8.26877 10.4965 13.697 10.4457 18.271 5.8541 16.7978 numMergedOcc 0
16 mol 48 unq 16 iso 0 dist 8.36915 6.42242 13.1229 8.26877 10.4965 13.697 10.1874 16.0732 5.82264 14.8527 numMergedOcc 0
17 mol 48 unq 17 iso 0 dist 8.36915 6.42242 13.1229 8.26877 10.4965 13.697 5.39197 13.1828 7.20729 8.22812 numMergedOcc 0
18 mol 48 unq 18 iso 0 dist 8.36915 6.42242 13.1229 8.26877 10.4965 13.697 4.89976 13.0903 5.72703 11.1156 numMergedOcc 0
19 mol 48 unq 19 iso 0 dist 6.01454 6.42242 6.98858 5.43913 9.12054 10.8889 10.3657 12.0208 7.84895 15.6593 numMergedOcc 0
20 mol 48 unq 20 iso 0 dist 6.01454 6.42242 6.98858 5.43913 9.12054 10.8889 10.4457 11.6706 5.8541 15.5128 numMergedOcc 0
21 mol 48 unq 21 iso 0 dist 6.01454 6.42242 6.98858 5.43913 9.12054 10.8889 10.1874 11.9164 5.82264 12.867 numMergedOcc 0
22 mol 48 unq 22 iso 0 dist 6.01454 6.42242 6.98858 5.43913 9.12054 10.8889 5.39197 10.7828 7.20729 8.65524 numMergedOcc 0
23 mol 48 unq 23 iso 0 dist 6.01454 6.42242 6.98858 5.43913 9.12054 10.8889 4.89976 8.36323 5.72703 10.0937 numMergedOcc 0
24 mol 48 unq 24 iso 0 dist 6.01454 6.42242 6.98858 8.26877 13.688 13.697 10.3657 12.0208 7.84895 16.3718 numMergedOcc 0
25 mol 48 unq 25 iso 0 dist 6.01454 6.42242 6.98858 8.26877 13.688 13.697 10.4457 11.6706 5.8541 16.7978 numMergedOcc 0
26 mol 48 unq 26 iso 0 dist 6.01454 6.42242 6.98858 8.26877 13.688 13.697 10.1874 11.9164 5.82264 14.8527 numMergedOcc 0
27 mol 48 unq 27 iso 0 dist 6.01454 6.42242 6.98858 8.26877 13.688 13.697 5.39197 10.7828 7.20729 8.22812 numMergedOcc 0
28 mol 48 unq 28 iso 0 dist 6.01454 6.42242 6.98858 8.26877 13.688 13.697 4.89976 8.36323 5.72703 11.1156 numMergedOcc 0
29 mol 48 unq 29 iso 0 dist 6.31161 6.8073 12.2137 7.49794 5.91316 13.357 10.7407 17.0261 8.12997 16.2577 numMergedOcc 0
30 mol 48 unq 30 iso 0 dist 6.31161 6.8073 12.2137 7.49794 5.91316 13.357 10.8995 17.0854 6.13153 16.7052 numMergedOcc 0
31 mol 48 unq 31 iso 0 dist 6.31161 6.8073 12.2137 7.49794 5.91316 13.357 10.5685 14.7713 5.7836 14.7552 numMergedOcc 0
32 mol 48 unq 32 iso 0 dist 6.31161 6.8073 12.2137 7.49794 5.91316 13.357 5.44298 10.3111 7.32996 8.0812 numMergedOcc 0
33 mol 48 unq 33 iso 0 dist 6.31161 6.8073 12.2137 7.49794 5.91316 13.357 4.92775 11.1419 5.89173 10.7595 numMergedOcc 0
34 mol 48 unq 34 iso 0 dist 6.31161 5.60663 5.2902 7.49794 5.91316 6.34854 11.8742 10.9951 8.56365 6.36817 numMergedOcc 0
35 mol 48 unq 35 iso 0 dist 6.31161 5.60663 5.2902 7.49794 5.91316 6.34854 5.44298 10.3111 7.47783 8.0812 numMergedOcc 0
36 mol 48 unq 36 iso 0 dist 6.31161 5.60663 5.2902 7.49794 5.91316 6.34854 9.10301 9.82031 8.74151 4.17933 numMergedOcc 0
37 mol 48 unq 37 iso 0 dist 6.31161 5.60663 5.2902 7.49794 5.91316 6.34854 7.24268 9.90517 8.69662 5.54893 numMergedOcc 0
38 mol 79 unq 0 iso 0 dist 7.41952 6.64915 11.3722 6.65972 8.14479 9.87964 8.65653 15.1302 5.79139 10.5441 numMergedOcc 0
39 mol 79 unq 1 iso 0 dist 7.41952 6.64915 11.3722 4.2253 9.07516 4.31939 8.65653 15.1302 5.79139 6.20144 numMergedOcc 0
40 mol 91 unq 0 iso 0 dist 5.78962 6.93893 9.0185 8.91998 5.4863 12.8723 12.7678 14.6309 9.97813 14.8326 numMergedOcc 0
41 mol 92 unq 0 iso 0 dist 7.12199 5.74593 7.27534 4.91714 4.69684 3.98877 3.63696 10.6664 8.4219 8.10623 numMergedOcc 0
42 mol 92 unq 1 iso 0 dist 7.90837 5.74593 9.58876 4.91714 9.94373 3.98877 3.63696 10.1337 8.4219 8.10623 numMergedOcc 0
43 mol 162 unq 0 iso 0 dist 8.98459 9.31025 5.76291 9.88912 4.06355 6.17752 7.86779 10.034 5.67088 10.7246 numMergedOcc 0
44 mol 162 unq 1 iso 0 dist 8.98459 9.31025 5.76291 9.46218 11.8004 15.8538 7.86779 10.034 5.67088 16.8281 numMergedOcc 0
45 mol 184 unq 0 iso 0 dist 9.45847 4.88303 13.3059 8.5544 15.8504 8.00739 7.551 10.5052 9.62748 15.8922 numMergedOcc 0
46 mol 184 unq 1 iso 0 dist 9.45847 4.88303 13.3059 8.5544 15.8504 8.00739 4.75805 8.98606 5.12964 10.7976 numMergedOcc 0
47 mol 184 unq 2 iso 0 dist 7.895 4.88303 5.18787 8.5544 8.94646 8.00739 7.551 11.4395 9.62748 15.8922 numMergedOcc 0
48 mol 184 unq 3 iso 0 dist 7.895 4.88303 5.18787 8.5544 8.94646 8.00739 4.75805 10.0245 5.12964 10.7976 numMergedOcc 0
49 mol 198 unq 0 iso 0 dist 4.58291 8.28295 5.47473 7.94413 6.52619 4.73496 7.8747 9.48314 8.78623 10.6266 numMergedOcc 0
50 mol 244 unq 0 iso 0 dist 6.51428 9.97458 16.0237 9.3491 12.2668 11.7712 4.80974 8.75742 9.30179 13.1336 numMergedOcc 0
51 mol 244 unq 1 iso 0 dist 6.51428 9.97458 16.0237 9.3491 12.2668 11.7712 13.59 18.3375 6.10489 14.895 numMergedOcc 0
52 mol 244 unq 2 iso 0 dist 6.51428 9.97458 16.0237 9.3491 12.2668 11.7712 12.146 17.8452 4.4204 15.907 numMergedOcc 0
53 mol 253 unq 0 iso 0 dist 9.58767 9.50983 7.48646 9.31626 7.64377 5.68255 16.4827 16.4244 9.82605 10.2265 numMergedOcc 0
54 mol 253 unq 1 iso 0 dist 9.58767 9.50983 7.48646 9.31626 7.64377 5.68255 13.3075 15.6665 9.73723 8.66299 numMergedOcc 0
55 mol 253 unq 2 iso 0 dist 9.58767 9.50983 7.48646 9.77366 4.87368 5.57952 16.4827 16.4244 9.82605 12.3129 numMergedOcc 0
56 mol 253 unq 3 iso 0 dist 9.58767 9.50983 7.48646 9.77366 4.87368 5.57952 13.3075 15.6665 9.73723 11.5048 numMergedOcc 0
57 mol 294 unq 0 iso 0 dist 8.0661 7.14502 7.87119 9.49562 5.07231 8.15681 12.8415 15.3602 9.01437 12.639 numMergedOcc 0
