0 mol 8 unq 0 iso 0 dist 9.95165 15.9496 6.82379 14.678 6.24978 6.94408 13.7215 5.65816 7.03958 9.77703 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.95165 15.9496 6.82379 17.3707 9.66439 11.2508 13.7215 5.65816 7.03958 12.013 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.95165 15.9496 6.82379 12.915 7.3915 12.4076 13.7215 5.65816 7.03958 8.53529 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 9.95165 12.915 7.3915 15.9496 6.82379 12.4076 13.7215 5.65816 8.53529 7.03958 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 9.95165 12.915 7.3915 14.678 6.24978 9.22548 13.7215 5.65816 8.53529 9.77703 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 9.95165 12.915 7.3915 17.3707 9.66439 7.96511 13.7215 5.65816 8.53529 12.013 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.23617 14.4019 6.92532 11.8354 7.48847 10.8007 21.9482 13.9675 7.75618 15.4288 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 10.38 6.36455 5.03957 21.9482 13.9675 7.75618 12.3215 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.59114 14.3476 6.92532 5.67097 7.48847 10.8007 20.3266 13.9675 7.75618 15.4288 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 8.59114 14.3476 6.92532 12.7 6.36455 5.03957 20.3266 13.9675 7.75618 12.3215 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 8.63204 6.57145 6.92532 15.2051 7.48847 10.8007 12.8718 13.9675 7.75618 15.4288 numMergedOcc 0
11 mol 19 unq 5 iso 0 dist 8.63204 6.57145 6.92532 6.01189 6.36455 5.03957 12.8718 13.9675 7.75618 12.3215 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 8.8926 7.83786 7.05502 13.4332 11.9395 9.41441 16.0926 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 7.4674 12.7297 7.55695 12.6215 9.96399 7.29309 10.6158 4.82351 9.90939 10.5084 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 7.4674 12.7297 7.55695 14.5723 8.82176 5.00018 10.6158 4.82351 9.90939 11.6165 numMergedOcc 0
15 mol 60 unq 2 iso 0 dist 8.4928 10.0675 7.55695 5.09908 9.96399 7.29309 8.04272 4.82351 9.90939 10.5084 numMergedOcc 0
16 mol 60 unq 3 iso 0 dist 8.4928 10.0675 7.55695 14.3334 8.82176 5.00018 8.04272 4.82351 9.90939 11.6165 numMergedOcc 0
17 mol 65 unq 0 iso 0 dist 5.12044 5.05869 5.69971 6.13504 9.83239 9.20128 7.0386 6.00418 7.90294 13.1118 numMergedOcc 0
18 mol 65 unq 1 iso 0 dist 5.12044 5.05869 5.69971 5.38234 8.37515 10.2941 7.0386 6.00418 7.90294 8.22785 numMergedOcc 0
19 mol 65 unq 2 iso 0 dist 5.12044 5.38234 8.37515 5.05869 5.69971 10.2941 8.54555 7.18126 6.76508 11.5413 numMergedOcc 0
20 mol 65 unq 3 iso 0 dist 5.12044 5.38234 8.37515 5.05869 5.69971 10.2941 7.0386 6.00418 8.22785 7.90294 numMergedOcc 0
21 mol 65 unq 4 iso 0 dist 5.12044 5.38234 8.37515 6.13504 9.83239 8.06868 8.54555 7.18126 6.76508 13.2643 numMergedOcc 0
22 mol 65 unq 5 iso 0 dist 5.12044 5.38234 8.37515 6.13504 9.83239 8.06868 7.0386 6.00418 8.22785 13.1118 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 15.3582 8.12346 8.0179 5.4455 5.92931 8.65535 12.0009 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 10.977 8.83356 14.6506 5.4455 5.92931 8.65535 12.645 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 8.63008 13.445 6.26839 16.6746 8.2654 8.48054 5.4455 5.92931 8.65535 13.9101 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 8.63008 10.977 8.83356 13.445 6.26839 14.6506 14.7117 12.361 8.29382 16.3687 numMergedOcc 0
27 mol 194 unq 4 iso 0 dist 8.63008 10.977 8.83356 13.445 6.26839 14.6506 8.09776 7.50057 6.72379 12.4952 numMergedOcc 0
28 mol 194 unq 5 iso 0 dist 8.63008 10.977 8.83356 15.3582 8.12346 13.5632 14.7117 12.361 8.29382 18.4977 numMergedOcc 0
29 mol 194 unq 6 iso 0 dist 8.63008 10.977 8.83356 15.3582 8.12346 13.5632 8.09776 7.50057 6.72379 15.1649 numMergedOcc 0
30 mol 194 unq 7 iso 0 dist 8.63008 10.977 8.83356 16.6746 8.2654 11.6097 14.7117 12.361 8.29382 14.3769 numMergedOcc 0
31 mol 194 unq 8 iso 0 dist 8.63008 10.977 8.83356 16.6746 8.2654 11.6097 8.09776 7.50057 6.72379 13.2138 numMergedOcc 0
32 mol 195 unq 0 iso 0 dist 5.46768 7.00308 6.60567 5.34788 7.62942 10.7531 9.25935 6.0634 7.36683 9.26504 numMergedOcc 0
33 mol 195 unq 1 iso 0 dist 5.46768 7.00308 6.60567 5.34788 7.62942 10.7531 10.146 6.74112 6.95086 14.0524 numMergedOcc 0
34 mol 195 unq 2 iso 0 dist 5.46768 5.34788 7.62942 7.00308 6.60567 10.7531 9.25935 6.0634 9.26504 7.36683 numMergedOcc 0
35 mol 237 unq 0 iso 0 dist 9.93731 7.3235 6.50471 15.2252 9.4811 7.94444 12.9427 6.12402 9.60163 11.2218 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 8.04138 6.42903 7.67245 10.3943 9.12395 5.74345 9.73172 13.537 6.62841 11.3027 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 8.84798 7.7504 6.43341 13.8061 8.29305 6.67478 5.94449 5.89415 9.09855 13.6219 numMergedOcc 0
