0 mol 48 unq 0 iso 0 dist 7.11491 8.23404 7.78689 11.6319 8.22812 9.26377 12.1255 5.62671 12.509 8.65524 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.11491 8.23404 7.78689 5.39812 4.22002 4.88527 12.1255 5.62671 12.509 8.96151 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 7.11491 8.23404 7.78689 8.55482 5.77855 4.76279 12.1255 5.62671 12.509 9.02535 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 7.11491 8.23404 7.78689 3.50984 6.5241 9.94951 6.28603 8.66712 13.5889 5.54472 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 7.11491 8.23404 7.78689 3.50984 6.5241 9.94951 8.80303 9.07711 14.6829 8.62369 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 5.82264 5.50677 7.7927 11.5388 6.36817 11.246 11.2213 6.29252 12.9788 8.14245 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 5.82264 5.50677 7.7927 11.5388 6.36817 11.246 14.3528 9.94041 16.6394 8.0812 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 5.82264 5.50677 7.7927 11.5388 6.36817 11.246 11.342 5.553 12.6487 4.17933 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 5.82264 5.50677 7.7927 11.5388 6.36817 11.246 13.6649 8.14415 15.2851 5.54893 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 5.82264 3.90503 6.17378 11.5388 6.36817 9.92075 11.2213 6.29252 12.289 8.14245 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 5.82264 3.90503 6.17378 11.5388 6.36817 9.92075 14.3528 9.94041 13.892 8.0812 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 5.82264 3.90503 6.17378 11.5388 6.36817 9.92075 11.342 5.553 11.151 4.17933 numMergedOcc 0
12 mol 48 unq 12 iso 0 dist 5.82264 3.90503 6.17378 11.5388 6.36817 9.92075 13.6649 8.14415 13.3372 5.54893 numMergedOcc 0
13 mol 48 unq 13 iso 0 dist 8.56365 11.8248 7.7927 6.34854 6.36817 11.246 12.8942 6.29252 12.9788 8.14245 numMergedOcc 0
14 mol 48 unq 14 iso 0 dist 8.56365 11.8248 7.7927 6.34854 6.36817 11.246 7.47783 9.94041 16.6394 8.0812 numMergedOcc 0
15 mol 48 unq 15 iso 0 dist 8.56365 11.8248 7.7927 6.34854 6.36817 11.246 8.74151 5.553 12.6487 4.17933 numMergedOcc 0
16 mol 48 unq 16 iso 0 dist 8.56365 11.8248 7.7927 6.34854 6.36817 11.246 8.69662 8.14415 15.2851 5.54893 numMergedOcc 0
17 mol 48 unq 17 iso 0 dist 8.56365 9.10288 6.17378 6.34854 6.36817 9.92075 12.8942 6.29252 12.289 8.14245 numMergedOcc 0
18 mol 48 unq 18 iso 0 dist 8.56365 9.10288 6.17378 6.34854 6.36817 9.92075 7.47783 9.94041 13.892 8.0812 numMergedOcc 0
19 mol 48 unq 19 iso 0 dist 8.56365 9.10288 6.17378 6.34854 6.36817 9.92075 8.74151 5.553 11.151 4.17933 numMergedOcc 0
20 mol 48 unq 20 iso 0 dist 8.56365 9.10288 6.17378 6.34854 6.36817 9.92075 8.69662 8.14415 13.3372 5.54893 numMergedOcc 0
21 mol 48 unq 21 iso 0 dist 7.1829 8.13327 7.70645 3.65036 6.36817 9.7018 5.73454 8.61401 13.068 5.37439 numMergedOcc 0
22 mol 48 unq 22 iso 0 dist 7.1829 8.13327 7.70645 3.65036 6.36817 9.7018 8.2012 9.16142 14.2441 8.3714 numMergedOcc 0
23 mol 79 unq 0 iso 0 dist 6.2576 4.03842 7.92114 4.37918 4.15789 4.69555 9.11841 5.30569 8.8955 4.808 numMergedOcc 0
24 mol 79 unq 1 iso 0 dist 6.2576 3.81317 8.18375 4.37918 4.15789 6.49084 9.11841 5.30569 10.6844 4.808 numMergedOcc 0
25 mol 79 unq 2 iso 0 dist 8.96069 10.6312 7.92114 9.08423 4.15789 4.69555 12.5055 5.30569 8.8955 4.808 numMergedOcc 0
26 mol 79 unq 3 iso 0 dist 8.96069 4.08868 8.18375 9.08423 4.15789 6.49084 12.5055 5.30569 10.6844 4.808 numMergedOcc 0
27 mol 79 unq 4 iso 0 dist 7.56495 9.78235 7.92114 6.29733 4.15789 4.69555 7.63923 5.30569 8.8955 4.808 numMergedOcc 0
28 mol 79 unq 5 iso 0 dist 7.56495 6.06691 8.18375 6.29733 4.15789 6.49084 7.63923 5.30569 10.6844 4.808 numMergedOcc 0
29 mol 79 unq 6 iso 0 dist 7.38548 6.0749 4.74254 5.79629 6.20144 7.19532 6.72546 7.13643 9.73588 4.808 numMergedOcc 0
30 mol 83 unq 0 iso 0 dist 8.99451 10.5584 5.35861 13.9971 6.96722 3.65203 14.5056 5.72008 8.61641 7.61085 numMergedOcc 0
31 mol 85 unq 0 iso 0 dist 9.13593 10.797 4.29937 13.6534 6.67137 3.65186 8.25144 2.58673 5.37869 7.04244 numMergedOcc 0
32 mol 85 unq 1 iso 0 dist 9.13593 10.797 4.29937 3.93938 9.78707 12.2971 8.25144 2.58673 5.37869 9.63449 numMergedOcc 0
33 mol 85 unq 2 iso 0 dist 9.13593 7.04693 3.65628 13.6534 6.67137 7.00044 8.25144 2.58673 4.05415 7.04244 numMergedOcc 0
34 mol 85 unq 3 iso 0 dist 9.13593 7.04693 3.65628 3.93938 9.78707 8.64367 8.25144 2.58673 4.05415 9.63449 numMergedOcc 0
35 mol 85 unq 4 iso 0 dist 9.13593 6.7475 9.77774 13.6534 6.67137 16.1804 8.25144 2.58673 9.97944 7.04244 numMergedOcc 0
36 mol 85 unq 5 iso 0 dist 9.13593 6.7475 9.77774 3.93938 9.78707 3.21259 8.25144 2.58673 9.97944 9.63449 numMergedOcc 0
37 mol 85 unq 6 iso 0 dist 8.25144 10.797 5.37869 13.6534 7.04244 3.65186 9.13593 2.58673 4.29937 6.67137 numMergedOcc 0
38 mol 85 unq 7 iso 0 dist 8.25144 10.797 5.37869 3.93938 9.63449 12.2971 9.13593 2.58673 4.29937 9.78707 numMergedOcc 0
39 mol 85 unq 8 iso 0 dist 8.25144 7.04693 4.05415 13.6534 7.04244 7.00044 9.13593 2.58673 3.65628 6.67137 numMergedOcc 0
40 mol 85 unq 9 iso 0 dist 8.25144 7.04693 4.05415 3.93938 9.63449 8.64367 9.13593 2.58673 3.65628 9.78707 numMergedOcc 0
41 mol 85 unq 10 iso 0 dist 8.25144 6.7475 9.97944 13.6534 7.04244 16.1804 9.13593 2.58673 9.77774 6.67137 numMergedOcc 0
42 mol 85 unq 11 iso 0 dist 8.25144 6.7475 9.97944 3.93938 9.63449 3.21259 9.13593 2.58673 9.77774 9.78707 numMergedOcc 0
43 mol 107 unq 0 iso 0 dist 7.89505 3.79393 9.09262 8.49625 8.19484 5.88785 10.5526 13.5807 7.91251 8.88124 numMergedOcc 0
44 mol 123 unq 0 iso 0 dist 7.30244 10.9073 4.14492 4.10526 8.03692 10.3919 9.42762 8.77423 10.3616 8.78115 numMergedOcc 0
45 mol 169 unq 0 iso 0 dist 7.85698 7.40692 7.65903 6.28646 5.10589 3.18152 10.573 5.23644 5.97653 4.63336 numMergedOcc 0
46 mol 169 unq 1 iso 0 dist 7.85698 7.40692 7.65903 6.28646 5.10589 3.18152 11.9922 7.52063 7.75523 6.10715 numMergedOcc 0
47 mol 169 unq 2 iso 0 dist 6.35799 9.68109 7.65903 7.83748 5.10589 3.18152 10.8214 5.23644 5.97653 4.63336 numMergedOcc 0
48 mol 169 unq 3 iso 0 dist 6.35799 9.68109 7.65903 7.83748 5.10589 3.18152 12.7569 7.52063 7.75523 6.10715 numMergedOcc 0
49 mol 186 unq 0 iso 0 dist 9.31569 10.6999 8.92135 9.73374 7.25595 14.4913 12.7028 6.13455 14.8336 4.87942 numMergedOcc 0
50 mol 186 unq 1 iso 0 dist 8.72743 6.18065 8.92135 14.2269 7.25595 14.4913 13.2736 6.13455 14.8336 4.87942 numMergedOcc 0
51 mol 214 unq 0 iso 0 dist 5.05626 3.94038 8.49349 6.28944 8.66082 4.84709 8.41013 10.5332 6.50654 7.96338 numMergedOcc 0
52 mol 214 unq 1 iso 0 dist 8.41013 3.94038 6.50654 6.28944 7.96338 4.84709 5.05626 10.5332 8.49349 8.66082 numMergedOcc 0
53 mol 285 unq 0 iso 0 dist 8.79261 6.3633 4.27826 8.78384 5.88958 3.14843 9.99125 4.87372 5.82074 7.78121 numMergedOcc 0
54 mol 285 unq 1 iso 0 dist 9.99125 6.3633 5.82074 8.78384 7.78121 3.14843 8.79261 4.87372 4.27826 5.88958 numMergedOcc 0
