0 mol 24 unq 0 iso 0 dist 6.61696 7.85986 9.24731 9.63925 13.302 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.80953 7.85986 11.1587 9.63925 7.7447 8.25818 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.43693 5.53419 6.08836 3.57198 5.4713 3.77542 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.03404 5.7836 6.71583 6.17529 10.7691 5.54472 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.03404 5.7836 6.71583 9.78584 14.4376 8.62369 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 6.03404 5.7836 6.71583 11.505 12.3189 6.5241 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 6.03404 7.32996 3.34853 13.357 11.3096 8.0812 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 6.07052 5.82264 6.77378 6.30002 10.7539 5.37439 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 6.07052 5.82264 6.77378 9.72383 14.3033 8.3714 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 6.07052 5.82264 6.77378 11.5388 12.2099 6.36817 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 6.07052 7.20729 3.3785 10.8889 11.3818 8.65524 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 6.07052 7.20729 3.3785 13.697 11.456 8.22812 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.77084 7.56495 11.5615 6.29733 13.1717 4.15789 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 9.77084 7.63923 10.6375 5.41884 10.8282 6.20144 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 9.77084 7.63923 10.6375 6.29733 13.1717 4.808 numMergedOcc 0
15 mol 79 unq 3 iso 0 dist 8.02443 8.84225 6.49084 6.07693 8.18375 4.15789 numMergedOcc 0
16 mol 79 unq 4 iso 0 dist 8.02443 8.84225 6.49084 10.8556 10.6844 4.808 numMergedOcc 0
17 mol 79 unq 5 iso 0 dist 9.09458 7.38548 10.0358 5.79629 10.6844 6.20144 numMergedOcc 0
18 mol 79 unq 6 iso 0 dist 9.09458 6.72546 6.49084 5.25584 8.18375 4.15789 numMergedOcc 0
19 mol 79 unq 7 iso 0 dist 9.09458 6.72546 6.49084 5.79629 10.6844 4.808 numMergedOcc 0
20 mol 79 unq 8 iso 0 dist 6.5551 7.56495 10.2908 6.29733 9.73588 4.15789 numMergedOcc 0
21 mol 79 unq 9 iso 0 dist 6.5551 7.63923 7.19532 5.41884 4.74254 6.20144 numMergedOcc 0
22 mol 79 unq 10 iso 0 dist 6.5551 7.63923 7.19532 6.29733 9.73588 4.808 numMergedOcc 0
23 mol 83 unq 0 iso 0 dist 9.95355 8.99451 6.187 8.98065 12.577 7.50925 numMergedOcc 0
24 mol 83 unq 1 iso 0 dist 9.95355 8.99451 6.187 13.9971 12.5651 6.96722 numMergedOcc 0
25 mol 83 unq 2 iso 0 dist 9.69913 8.99451 3.31218 8.98065 10.6413 7.50925 numMergedOcc 0
26 mol 83 unq 3 iso 0 dist 9.69913 8.99451 3.31218 13.9971 9.88456 6.96722 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 5.05893 8.04853 3.65186 5.22259 4.29937 6.67137 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 5.71866 8.04853 7.00044 5.22259 3.65628 6.67137 numMergedOcc 0
30 mol 85 unq 3 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 numMergedOcc 0
31 mol 93 unq 0 iso 0 dist 9.19977 5.56839 13.1331 5.01255 14.057 5.20429 numMergedOcc 0
32 mol 93 unq 1 iso 0 dist 9.19977 5.56839 13.1331 9.11323 15.797 8.71366 numMergedOcc 0
33 mol 93 unq 2 iso 0 dist 7.28831 7.83506 13.1331 8.98901 14.057 5.20429 numMergedOcc 0
34 mol 93 unq 3 iso 0 dist 7.28831 7.83506 13.1331 8.52329 15.797 8.71366 numMergedOcc 0
35 mol 107 unq 0 iso 0 dist 5.33764 7.89505 3.40943 8.49625 6.49371 8.19484 numMergedOcc 0
36 mol 113 unq 0 iso 0 dist 9.30645 7.40338 9.59189 6.29259 8.67025 5.31126 numMergedOcc 0
37 mol 113 unq 1 iso 0 dist 9.30645 7.40338 9.59189 7.08122 11.1678 7.16619 numMergedOcc 0
38 mol 128 unq 0 iso 0 dist 9.59437 7.4442 8.54267 6.30769 13.1048 6.08651 numMergedOcc 0
39 mol 131 unq 0 iso 0 dist 7.75314 7.84546 6.95147 4.94367 8.49847 7.53342 numMergedOcc 0
40 mol 141 unq 0 iso 0 dist 7.42144 4.92382 5.83839 3.80087 9.5889 4.88514 numMergedOcc 0
41 mol 141 unq 1 iso 0 dist 6.27658 4.92382 3.7404 3.80087 8.03978 4.88514 numMergedOcc 0
42 mol 169 unq 0 iso 0 dist 6.0859 7.85698 12.6492 6.28646 10.343 5.10589 numMergedOcc 0
43 mol 169 unq 1 iso 0 dist 9.15283 5.41121 13.5169 3.83687 9.06172 6.96715 numMergedOcc 0
44 mol 169 unq 2 iso 0 dist 9.15283 6.35799 12.6492 7.83748 10.343 5.10589 numMergedOcc 0
45 mol 169 unq 3 iso 0 dist 6.05009 7.85698 13.7198 6.28646 10.9391 5.10589 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.45907 8.72743 3.60793 14.2269 8.17928 7.25595 numMergedOcc 0
47 mol 186 unq 1 iso 0 dist 9.45907 8.72743 3.60793 9.76301 13.2028 9.94825 numMergedOcc 0
48 mol 186 unq 2 iso 0 dist 8.92115 9.31569 11.6544 9.73374 11.9623 7.25595 numMergedOcc 0
49 mol 186 unq 3 iso 0 dist 8.92115 9.31569 11.6544 7.47658 15.5433 9.94825 numMergedOcc 0
50 mol 193 unq 0 iso 0 dist 8.15661 9.9042 9.3899 11.1328 15.206 8.30069 numMergedOcc 0
51 mol 193 unq 1 iso 0 dist 8.15661 9.9042 9.3899 11.6691 16.2846 8.83551 numMergedOcc 0
52 mol 194 unq 0 iso 0 dist 4.19371 8.43182 9.23342 3.7326 4.45769 5.10542 numMergedOcc 0
53 mol 194 unq 1 iso 0 dist 4.19371 8.43182 9.23342 7.29209 5.89939 4.68722 numMergedOcc 0
54 mol 194 unq 2 iso 0 dist 9.71015 8.43182 11.7699 3.7326 8.99961 5.10542 numMergedOcc 0
55 mol 194 unq 3 iso 0 dist 9.71015 8.43182 11.7699 7.29209 8.18853 4.68722 numMergedOcc 0
56 mol 214 unq 0 iso 0 dist 5.31416 5.05626 3.14057 6.28944 9.59928 8.66082 numMergedOcc 0
57 mol 214 unq 1 iso 0 dist 5.31416 8.41013 8.88633 6.28944 9.59928 7.96338 numMergedOcc 0
58 mol 214 unq 2 iso 0 dist 5.31416 8.41013 8.88633 7.23583 11.1063 7.42759 numMergedOcc 0
59 mol 214 unq 3 iso 0 dist 5.44533 5.05626 7.87816 6.28944 7.70062 8.66082 numMergedOcc 0
60 mol 214 unq 4 iso 0 dist 5.44533 8.41013 3.64285 6.28944 7.70062 7.96338 numMergedOcc 0
61 mol 214 unq 5 iso 0 dist 5.44533 8.41013 3.64285 7.23583 7.66702 7.42759 numMergedOcc 0
62 mol 260 unq 0 iso 0 dist 6.75725 6.49413 8.04546 7.28821 11.8771 8.62655 numMergedOcc 0
63 mol 260 unq 1 iso 0 dist 6.75725 6.12343 8.22506 3.60349 8.51564 7.04263 numMergedOcc 0
64 mol 260 unq 2 iso 0 dist 6.75725 4.52405 3.68866 3.60349 8.51564 6.48099 numMergedOcc 0
65 mol 260 unq 3 iso 0 dist 9.31888 6.49413 7.35802 7.28821 7.49606 8.62655 numMergedOcc 0
66 mol 260 unq 4 iso 0 dist 9.31888 6.12343 9.94995 3.60349 11.5762 7.04263 numMergedOcc 0
67 mol 260 unq 5 iso 0 dist 9.31888 4.52405 12.8784 3.60349 11.5762 6.48099 numMergedOcc 0
