0 mol 0 unq 0 iso 0 dist 9.89568 4.80868 6.8892 6.51408 9.53992 7.96742 10.296 5.85361 5.55156 11.962 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.89568 4.80868 6.8892 10.9016 11.5675 7.19397 10.296 5.85361 5.55156 6.83587 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 5.76006 4.86727 5.9021 10.9157 6.67154 8.17618 7.58748 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 5.25583 5.77108 6.6051 13.3953 10.763 8.98466 10.9157 6.67154 8.17618 6.89226 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 8.58468 9.26114 7.34681 16.6039 9.4204 9.26685 14.7534 13.5023 6.53817 11.7814 numMergedOcc 0
5 mol 17 unq 1 iso 0 dist 8.58468 9.26114 7.34681 16.6039 9.4204 9.26685 16.5933 15.703 9.81769 14.8418 numMergedOcc 0
6 mol 42 unq 0 iso 0 dist 9.50049 8.14608 5.52834 14.3866 5.21506 8.84148 12.1172 4.38082 8.52254 6.73507 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 7.99735 13.11 9.53081 14.2052 13.2937 8.36915 17.0309 12.299 5.36645 8.03277 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.99735 13.11 9.53081 7.77714 5.41488 6.01454 17.0309 12.299 5.36645 9.26483 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 9.7516 4.99432 9.53081 10.7326 13.2937 8.36915 10.3214 12.299 5.36645 8.03277 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 9.7516 4.99432 9.53081 6.46118 5.41488 6.01454 10.3214 12.299 5.36645 9.26483 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 5.65519 5.88036 6.08228 10.0975 5.9853 5.54343 5.33496 numMergedOcc 0
12 mol 64 unq 1 iso 0 dist 7.85826 7.27834 8.85416 5.65519 5.88036 9.86958 12.9323 6.43864 9.99634 10.8691 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.90753 7.11843 9.40718 9.02183 5.15002 6.47689 8.80581 5.32364 9.63295 5.16386 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.85507 5.58779 6.50756 13.1413 8.34243 7.57716 13.3756 5.55687 9.85951 9.86723 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.85507 5.58779 6.50756 9.3888 5.82963 8.98362 13.3756 5.55687 9.85951 6.80494 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 7.61854 8.73194 7.74348 13.7125 13.5224 7.6402 12.7689 13.0929 9.96011 5.32878 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 5.42605 6.5604 7.26758 12.8152 10.9643 9.174 8.18588 7.3737 6.40592 4.86437 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 10.6825 10.8957 6.08181 14.1869 13.3533 9.67877 5.09738 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 7.87577 4.69752 8.10903 10.6825 10.8957 6.08181 5.31858 5.90131 8.81059 13.8694 numMergedOcc 0
20 mol 258 unq 2 iso 0 dist 7.87577 4.69752 8.10903 10.6825 10.8957 6.08181 5.71851 9.68064 9.12006 14.0402 numMergedOcc 0
21 mol 258 unq 3 iso 0 dist 7.87577 4.69752 8.10903 8.8726 5.27718 7.70189 14.1869 13.3533 9.67877 10.4667 numMergedOcc 0
22 mol 258 unq 4 iso 0 dist 7.87577 4.69752 8.10903 8.8726 5.27718 7.70189 5.31858 5.90131 8.81059 9.22664 numMergedOcc 0
23 mol 258 unq 5 iso 0 dist 7.87577 4.69752 8.10903 8.8726 5.27718 7.70189 5.71851 9.68064 9.12006 13.0489 numMergedOcc 0
24 mol 258 unq 6 iso 0 dist 5.86702 4.69752 7.25618 10.6825 11.0025 6.08181 14.1869 15.0574 9.67877 5.09738 numMergedOcc 0
25 mol 258 unq 7 iso 0 dist 5.86702 4.69752 7.25618 10.6825 11.0025 6.08181 5.31858 4.51422 8.81059 13.8694 numMergedOcc 0
26 mol 258 unq 8 iso 0 dist 5.86702 4.69752 7.25618 10.6825 11.0025 6.08181 5.71851 4.99997 9.12006 14.0402 numMergedOcc 0
27 mol 258 unq 9 iso 0 dist 5.86702 4.69752 7.25618 8.8726 9.46467 7.70189 14.1869 15.0574 9.67877 10.4667 numMergedOcc 0
28 mol 258 unq 10 iso 0 dist 5.86702 4.69752 7.25618 8.8726 9.46467 7.70189 5.31858 4.51422 8.81059 9.22664 numMergedOcc 0
29 mol 258 unq 11 iso 0 dist 5.86702 4.69752 7.25618 8.8726 9.46467 7.70189 5.71851 4.99997 9.12006 13.0489 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 8.95153 7.77559 9.34051 11.9894 10.3702 6.12202 14.1444 7.24261 9.81087 7.96313 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 7.90993 11.8486 6.58925 11.5643 4.37855 6.7897 17.1776 9.49279 9.48968 5.71767 numMergedOcc 0
