0 mol 4 unq 0 iso 0 dist 5.30385 9.77024 10.3461 11.0787 9.16617 18.9233 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 6.07294 9.18836 10.1421 8.85978 8.51663 11.6539 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 8.54555 7.0386 5.56801 10.2068 6.72639 9.34791 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 8.54555 7.0386 5.56801 5.38234 6.76508 8.22785 numMergedOcc 0
4 mol 65 unq 2 iso 0 dist 7.0386 8.54555 5.56801 5.05869 7.90294 11.5413 numMergedOcc 0
5 mol 65 unq 3 iso 0 dist 7.0386 8.54555 5.56801 10.2068 9.34791 6.72639 numMergedOcc 0
6 mol 65 unq 4 iso 0 dist 7.0386 8.54555 5.56801 5.38234 8.22785 6.76508 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 6.07108 7.41937 4.05717 6.39047 9.49144 12.5937 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 5.63802 9.42982 11.721 7.63289 9.49144 16.6314 numMergedOcc 0
9 mol 67 unq 2 iso 0 dist 5.63802 8.17929 4.05717 7.63289 9.49144 12.5937 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 6.15654 7.89887 6.36037 5.1767 6.95572 7.38677 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 7.89887 6.15654 6.36037 5.1767 7.38677 6.95572 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 7.00113 9.85979 4.38093 5.759 8.76789 9.08382 numMergedOcc 0
13 mol 125 unq 1 iso 0 dist 7.00113 9.85979 4.38093 6.06241 7.73435 9.3778 numMergedOcc 0
14 mol 125 unq 2 iso 0 dist 9.85979 7.00113 4.38093 5.759 9.08382 8.76789 numMergedOcc 0
15 mol 125 unq 3 iso 0 dist 9.85979 7.00113 4.38093 6.06241 9.3778 7.73435 numMergedOcc 0
16 mol 125 unq 4 iso 0 dist 9.85979 7.00113 4.38093 13.5623 7.47069 11.1764 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.32407 6.48695 5.41583 5.99695 9.36851 4.97175 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 6.48695 7.32407 5.41583 5.99695 4.97175 9.36851 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 6.86997 7.46919 4.32771 9.70656 9.91993 6.22055 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 6.86997 7.46919 4.32771 5.77745 9.99156 8.18085 numMergedOcc 0
21 mol 148 unq 2 iso 0 dist 6.86997 8.24581 5.84014 9.70656 9.91993 9.33629 numMergedOcc 0
22 mol 148 unq 3 iso 0 dist 6.86997 8.24581 5.84014 5.77745 9.99156 10.4289 numMergedOcc 0
23 mol 148 unq 4 iso 0 dist 7.46919 6.86997 4.32771 9.70656 6.22055 9.91993 numMergedOcc 0
24 mol 148 unq 5 iso 0 dist 7.46919 6.86997 4.32771 5.77745 8.18085 9.99156 numMergedOcc 0
25 mol 148 unq 6 iso 0 dist 7.46919 8.24581 4.26306 9.70656 6.22055 9.33629 numMergedOcc 0
26 mol 148 unq 7 iso 0 dist 7.46919 8.24581 4.26306 5.77745 8.18085 10.4289 numMergedOcc 0
27 mol 150 unq 0 iso 0 dist 6.79381 7.36989 4.39943 9.69704 9.96691 6.14675 numMergedOcc 0
28 mol 150 unq 1 iso 0 dist 6.79381 7.36989 4.39943 5.71213 9.8656 7.94889 numMergedOcc 0
29 mol 150 unq 2 iso 0 dist 6.79381 8.17805 5.93611 9.69704 9.96691 9.24244 numMergedOcc 0
30 mol 150 unq 3 iso 0 dist 6.79381 8.17805 5.93611 5.71213 9.8656 10.2188 numMergedOcc 0
31 mol 150 unq 4 iso 0 dist 7.36989 6.79381 4.39943 9.69704 6.14675 9.96691 numMergedOcc 0
32 mol 150 unq 5 iso 0 dist 7.36989 6.79381 4.39943 5.71213 7.94889 9.8656 numMergedOcc 0
33 mol 150 unq 6 iso 0 dist 7.36989 8.17805 4.30207 9.69704 6.14675 9.24244 numMergedOcc 0
34 mol 150 unq 7 iso 0 dist 7.36989 8.17805 4.30207 5.71213 7.94889 10.2188 numMergedOcc 0
35 mol 150 unq 8 iso 0 dist 8.17805 6.79381 5.93611 9.69704 9.24244 9.96691 numMergedOcc 0
36 mol 150 unq 9 iso 0 dist 8.17805 7.36989 4.30207 9.69704 9.24244 6.14675 numMergedOcc 0
37 mol 171 unq 0 iso 0 dist 6.4751 5.75085 3.98338 8.67611 6.64834 9.85653 numMergedOcc 0
38 mol 171 unq 1 iso 0 dist 6.4751 5.75085 3.98338 9.28655 5.93786 8.1344 numMergedOcc 0
39 mol 171 unq 2 iso 0 dist 6.4751 5.75085 3.98338 10.4021 8.24693 6.71356 numMergedOcc 0
40 mol 171 unq 3 iso 0 dist 6.4751 5.75085 3.98338 11.8046 7.36698 11.3469 numMergedOcc 0
41 mol 171 unq 4 iso 0 dist 5.75085 6.4751 3.98338 9.28655 8.1344 5.93786 numMergedOcc 0
42 mol 171 unq 5 iso 0 dist 5.75085 6.4751 3.98338 10.4021 6.71356 8.24693 numMergedOcc 0
43 mol 188 unq 0 iso 0 dist 6.20426 6.47305 6.28555 9.41911 8.10214 11.231 numMergedOcc 0
44 mol 194 unq 0 iso 0 dist 8.09776 5.4455 9.4131 10.977 6.72379 12.645 numMergedOcc 0
45 mol 194 unq 1 iso 0 dist 5.4455 8.09776 9.4131 13.445 8.65535 12.4952 numMergedOcc 0
46 mol 197 unq 0 iso 0 dist 9.87211 6.3997 5.33623 8.58314 7.50013 5.81233 numMergedOcc 0
47 mol 197 unq 1 iso 0 dist 6.3997 9.87211 5.33623 8.58314 5.81233 7.50013 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 9.25162 6.83927 5.77703 16.9877 9.05071 14.7246 numMergedOcc 0
49 mol 236 unq 0 iso 0 dist 7.13854 8.88405 6.06161 6.81625 7.1686 12.2375 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 5.94449 8.61452 9.31504 7.7504 9.09855 13.4294 numMergedOcc 0
51 mol 279 unq 1 iso 0 dist 5.94449 7.66302 13.3172 7.7504 9.09855 10.6879 numMergedOcc 0
52 mol 279 unq 2 iso 0 dist 7.66302 5.94449 13.3172 11.8697 7.23721 16.0419 numMergedOcc 0
53 mol 279 unq 3 iso 0 dist 7.66302 8.61452 11.1423 11.8697 7.23721 14.4048 numMergedOcc 0
