0 mol 48 unq 0 iso 0 dist 6.03404 5.7836 6.71583 6.17529 10.7691 5.54472 9.78584 14.4376 8.62369 3.86264 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 6.03404 5.7836 6.71583 9.78584 14.4376 8.62369 6.17529 10.7691 5.54472 3.86264 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.03404 5.7836 6.71583 6.17529 10.7691 5.54472 11.505 12.3189 6.5241 8.66712 numMergedOcc 0
3 mol 48 unq 1 iso 1 dist 6.03404 5.7836 6.71583 11.505 12.3189 6.5241 6.17529 10.7691 5.54472 8.66712 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.03404 5.7836 6.71583 9.78584 14.4376 8.62369 11.505 12.3189 6.5241 9.07711 numMergedOcc 0
5 mol 48 unq 1 iso 1 dist 6.03404 5.7836 6.71583 11.505 12.3189 6.5241 9.78584 14.4376 8.62369 9.07711 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 6.07052 5.82264 6.77378 6.30002 10.7539 5.37439 9.72383 14.3033 8.3714 3.69391 numMergedOcc 0
7 mol 48 unq 2 iso 1 dist 6.07052 5.82264 6.77378 9.72383 14.3033 8.3714 6.30002 10.7539 5.37439 3.69391 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 6.07052 5.82264 6.77378 6.30002 10.7539 5.37439 11.5388 12.2099 6.36817 8.61401 numMergedOcc 0
9 mol 48 unq 3 iso 1 dist 6.07052 5.82264 6.77378 11.5388 12.2099 6.36817 6.30002 10.7539 5.37439 8.61401 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 6.07052 5.82264 6.77378 9.72383 14.3033 8.3714 11.5388 12.2099 6.36817 9.16142 numMergedOcc 0
11 mol 48 unq 3 iso 1 dist 6.07052 5.82264 6.77378 11.5388 12.2099 6.36817 9.72383 14.3033 8.3714 9.16142 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 6.07052 7.20729 3.3785 10.8889 11.3818 8.65524 13.697 11.456 8.22812 5.62671 numMergedOcc 0
13 mol 48 unq 4 iso 1 dist 6.07052 7.20729 3.3785 13.697 11.456 8.22812 10.8889 11.3818 8.65524 5.62671 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 9.77084 7.63923 10.6375 5.41884 10.8282 6.20144 6.29733 13.1717 4.808 7.13643 numMergedOcc 0
15 mol 79 unq 0 iso 1 dist 9.77084 7.63923 10.6375 6.29733 13.1717 4.808 5.41884 10.8282 6.20144 7.13643 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 8.02443 8.84225 6.49084 6.07693 8.18375 4.15789 10.8556 10.6844 4.808 5.30569 numMergedOcc 0
17 mol 79 unq 1 iso 1 dist 8.02443 8.84225 6.49084 10.8556 10.6844 4.808 6.07693 8.18375 4.15789 5.30569 numMergedOcc 0
18 mol 79 unq 2 iso 0 dist 9.09458 6.72546 6.49084 5.25584 8.18375 4.15789 5.79629 10.6844 4.808 5.30569 numMergedOcc 0
19 mol 79 unq 2 iso 1 dist 9.09458 6.72546 6.49084 5.79629 10.6844 4.808 5.25584 8.18375 4.15789 5.30569 numMergedOcc 0
20 mol 79 unq 3 iso 0 dist 6.5551 7.63923 7.19532 5.41884 4.74254 6.20144 6.29733 9.73588 4.808 7.13643 numMergedOcc 0
21 mol 79 unq 3 iso 1 dist 6.5551 7.63923 7.19532 6.29733 9.73588 4.808 5.41884 4.74254 6.20144 7.13643 numMergedOcc 0
22 mol 83 unq 0 iso 0 dist 9.95355 8.99451 6.187 8.98065 12.577 7.50925 13.9971 12.5651 6.96722 6.91034 numMergedOcc 0
23 mol 83 unq 0 iso 1 dist 9.95355 8.99451 6.187 13.9971 12.5651 6.96722 8.98065 12.577 7.50925 6.91034 numMergedOcc 0
24 mol 83 unq 1 iso 0 dist 9.69913 8.99451 3.31218 8.98065 10.6413 7.50925 13.9971 9.88456 6.96722 6.91034 numMergedOcc 0
25 mol 83 unq 1 iso 1 dist 9.69913 8.99451 3.31218 13.9971 9.88456 6.96722 8.98065 10.6413 7.50925 6.91034 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 5.05893 8.04853 3.65186 5.22259 4.29937 6.67137 7.66499 5.37869 7.04244 2.58673 numMergedOcc 0
27 mol 85 unq 0 iso 1 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 5.22259 4.29937 6.67137 2.58673 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 5.71866 8.04853 7.00044 5.22259 3.65628 6.67137 7.66499 4.05415 7.04244 2.58673 numMergedOcc 0
29 mol 85 unq 1 iso 1 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 5.22259 3.65628 6.67137 2.58673 numMergedOcc 0
30 mol 93 unq 0 iso 0 dist 9.19977 5.56839 13.1331 5.01255 14.057 5.20429 9.11323 15.797 8.71366 9.47916 numMergedOcc 0
31 mol 93 unq 0 iso 1 dist 9.19977 5.56839 13.1331 9.11323 15.797 8.71366 5.01255 14.057 5.20429 9.47916 numMergedOcc 0
32 mol 93 unq 1 iso 0 dist 7.28831 7.83506 13.1331 8.98901 14.057 5.20429 8.52329 15.797 8.71366 9.47916 numMergedOcc 0
33 mol 93 unq 1 iso 1 dist 7.28831 7.83506 13.1331 8.52329 15.797 8.71366 8.98901 14.057 5.20429 9.47916 numMergedOcc 0
34 mol 113 unq 0 iso 0 dist 9.30645 7.40338 9.59189 6.29259 8.67025 5.31126 7.08122 11.1678 7.16619 2.75715 numMergedOcc 0
35 mol 113 unq 0 iso 1 dist 9.30645 7.40338 9.59189 7.08122 11.1678 7.16619 6.29259 8.67025 5.31126 2.75715 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 9.45907 8.72743 3.60793 14.2269 8.17928 7.25595 9.76301 13.2028 9.94825 12.8007 numMergedOcc 0
37 mol 186 unq 0 iso 1 dist 9.45907 8.72743 3.60793 9.76301 13.2028 9.94825 14.2269 8.17928 7.25595 12.8007 numMergedOcc 0
38 mol 186 unq 1 iso 0 dist 8.92115 9.31569 11.6544 9.73374 11.9623 7.25595 7.47658 15.5433 9.94825 12.8007 numMergedOcc 0
39 mol 186 unq 1 iso 1 dist 8.92115 9.31569 11.6544 7.47658 15.5433 9.94825 9.73374 11.9623 7.25595 12.8007 numMergedOcc 0
40 mol 193 unq 0 iso 0 dist 8.15661 9.9042 9.3899 11.1328 15.206 8.30069 11.6691 16.2846 8.83551 4.75086 numMergedOcc 0
41 mol 193 unq 0 iso 1 dist 8.15661 9.9042 9.3899 11.6691 16.2846 8.83551 11.1328 15.206 8.30069 4.75086 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 4.19371 8.43182 9.23342 3.7326 4.45769 5.10542 7.29209 5.89939 4.68722 3.78714 numMergedOcc 0
43 mol 194 unq 0 iso 1 dist 4.19371 8.43182 9.23342 7.29209 5.89939 4.68722 3.7326 4.45769 5.10542 3.78714 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 9.71015 8.43182 11.7699 3.7326 8.99961 5.10542 7.29209 8.18853 4.68722 3.78714 numMergedOcc 0
45 mol 194 unq 1 iso 1 dist 9.71015 8.43182 11.7699 7.29209 8.18853 4.68722 3.7326 8.99961 5.10542 3.78714 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 5.31416 8.41013 8.88633 6.28944 9.59928 7.96338 7.23583 11.1063 7.42759 2.86233 numMergedOcc 0
47 mol 214 unq 0 iso 1 dist 5.31416 8.41013 8.88633 7.23583 11.1063 7.42759 6.28944 9.59928 7.96338 2.86233 numMergedOcc 0
48 mol 214 unq 1 iso 0 dist 5.44533 8.41013 3.64285 6.28944 7.70062 7.96338 7.23583 7.66702 7.42759 2.86233 numMergedOcc 0
49 mol 214 unq 1 iso 1 dist 5.44533 8.41013 3.64285 7.23583 7.66702 7.42759 6.28944 7.70062 7.96338 2.86233 numMergedOcc 0
