0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 7.4817 9.12196 7.73435 5.92202 14.3332 8.26708 10.5521 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.86116 6.60423 5.97304 6.58998 6.72502 9.38831 7.05502 10.5273 7.83786 11.0493 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.34347 5.69955 10.6756 13.2876 8.44506 16.849 9.78225 17.7357 8.6385 22.7653 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.48048 8.44903 7.31982 8.13395 10.5523 9.93832 7.05402 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 6.82174 7.33422 10.6458 4.26409 6.19965 7.1589 7.91778 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 7.91778 7.33422 10.6458 4.26409 7.95579 8.00777 6.82174 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.71338 6.47042 10.0814 8.56707 6.43433 12.0448 4.8896 11.5121 6.78038 10.1567 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 10.0814 6.47042 12.0448 5.0812 12.603 9.92283 14.5483 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 9.60462 9.92283 17.3924 11.0629 8.729 15.3575 5.0812 13.9874 6.43433 14.765 numMergedOcc 0
9 mol 112 unq 3 iso 0 dist 9.60462 7.23962 3.98564 11.0629 8.729 10.7583 7.03147 11.192 9.00067 10.8574 numMergedOcc 0
10 mol 112 unq 4 iso 0 dist 9.60462 7.23962 3.98564 11.0629 8.729 10.7583 11.4954 10.9806 9.89499 10.8526 numMergedOcc 0
11 mol 112 unq 5 iso 0 dist 9.60462 7.23962 3.98564 11.0629 8.729 10.7583 7.05226 7.45389 7.30204 5.48848 numMergedOcc 0
12 mol 112 unq 6 iso 0 dist 7.45389 7.30204 3.98564 5.48848 8.729 10.7583 7.05226 9.60462 7.23962 11.0629 numMergedOcc 0
13 mol 112 unq 7 iso 0 dist 7.45389 7.30204 3.98564 5.48848 8.729 10.7583 5.56241 11.192 9.00067 10.8574 numMergedOcc 0
14 mol 112 unq 8 iso 0 dist 7.45389 7.30204 3.98564 5.48848 8.729 10.7583 6.77737 10.9806 9.89499 10.8526 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 3.78311 7.77116 8.03035 4.85907 10.3704 7.99857 4.99056 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 5.59336 8.35555 6.39031 7.65448 10.399 9.77552 7.2238 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 8.34702 6.2319 5.82636 5.71107 7.73169 4.9941 7.14831 13.584 9.31851 10.7975 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 8.34702 6.2319 5.82636 5.71107 7.73169 4.9941 6.31306 9.06726 9.97732 11.2067 numMergedOcc 0
19 mol 156 unq 2 iso 0 dist 8.34702 6.2319 5.82636 10.7023 5.38091 8.06913 7.14831 13.584 9.31851 13.6634 numMergedOcc 0
20 mol 156 unq 3 iso 0 dist 8.34702 6.2319 5.82636 10.7023 5.38091 8.06913 6.31306 9.06726 9.97732 9.00862 numMergedOcc 0
21 mol 156 unq 4 iso 0 dist 9.06726 9.97732 5.82636 11.2067 7.73169 4.9941 9.98789 13.584 9.31851 10.7975 numMergedOcc 0
22 mol 156 unq 5 iso 0 dist 9.06726 9.97732 5.82636 11.2067 7.73169 4.9941 6.31306 8.34702 6.2319 5.71107 numMergedOcc 0
23 mol 156 unq 6 iso 0 dist 9.06726 9.97732 5.82636 9.00862 5.38091 8.06913 9.98789 13.584 9.31851 13.6634 numMergedOcc 0
24 mol 156 unq 7 iso 0 dist 9.06726 9.97732 5.82636 9.00862 5.38091 8.06913 6.31306 8.34702 6.2319 10.7023 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 4.37002 6.85302 7.55358 8.04815 15.6447 9.56197 9.27818 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 4.37002 6.85302 7.55358 13.684 16.9992 7.24795 13.0197 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 9.09754 8.64409 9.97575 4.37002 6.85302 7.55358 7.18269 14.1487 7.60202 9.72941 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 9.09754 8.64409 9.97575 4.64235 9.98215 7.60991 8.04815 15.6447 9.56197 9.55926 numMergedOcc 0
29 mol 186 unq 4 iso 0 dist 9.09754 8.64409 9.97575 4.64235 9.98215 7.60991 13.684 16.9992 7.24795 12.9082 numMergedOcc 0
30 mol 186 unq 5 iso 0 dist 9.09754 8.64409 9.97575 4.64235 9.98215 7.60991 7.18269 14.1487 7.60202 5.39885 numMergedOcc 0
31 mol 186 unq 6 iso 0 dist 9.09754 6.85302 4.37002 9.97575 8.64409 7.55358 5.74635 10.7914 7.20574 12.7155 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 6.03524 8.48341 12.5422 10.5806 12.6531 9.2581 12.9631 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 6.03524 8.48341 12.5422 6.9154 11.8674 9.62632 11.8285 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 10.5813 8.03442 9.56257 5.22356 8.65997 5.4694 7.22396 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 7.22396 8.03442 9.56257 5.22356 7.22101 8.38865 10.5813 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 7.19638 7.50201 7.63376 5.25252 6.86945 8.55481 6.0987 10.5136 6.53679 6.28227 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 6.60405 6.70815 7.42673 6.6525 9.53063 6.47194 7.26417 6.42289 7.99477 5.27959 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 6.42289 7.99477 7.42673 5.27959 9.53063 6.47194 7.26417 6.60405 6.70815 6.6525 numMergedOcc 0
39 mol 258 unq 2 iso 0 dist 6.42289 7.86627 6.44209 5.27959 9.53063 10.472 5.30627 10.1675 7.93574 8.25921 numMergedOcc 0
40 mol 272 unq 0 iso 0 dist 9.97651 9.64269 4.86504 10.26 9.19033 12.7305 6.6954 10.1698 6.88809 15.1321 numMergedOcc 0
41 mol 272 unq 1 iso 0 dist 9.97651 9.64269 4.86504 10.26 9.19033 12.7305 8.12676 8.46116 8.46061 13.5034 numMergedOcc 0
42 mol 272 unq 2 iso 0 dist 8.46116 8.46061 4.86504 13.5034 9.19033 12.7305 8.12676 9.97651 9.64269 10.26 numMergedOcc 0
43 mol 272 unq 3 iso 0 dist 8.46116 8.46061 4.86504 13.5034 9.19033 12.7305 7.34222 10.1698 6.88809 15.1321 numMergedOcc 0
