0 mol 12 unq 0 iso 0 dist 9.52857 14.8356 6.96422 11.7488 9.90835 8.15488 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 9.17529 10.3178 8.80193 6.46361 7.60512 6.44368 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.1113 9.34692 8.19695 7.42527 6.41656 4.01494 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 5.99176 5.98761 9.62401 4.4386 6.29797 6.25564 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 6.98583 10.5886 9.62401 5.82028 6.29797 6.25564 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 8.23202 9.39741 6.61977 9.43025 5.96231 7.09057 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.3387 10.8026 8.10446 14.6811 8.4701 5.92399 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.76351 14.7309 9.63599 14.463 9.77084 4.1859 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 9.76351 14.7309 9.63599 13.9245 6.5551 8.68431 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 9.76351 11.7335 8.01743 14.463 9.77084 5.95598 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 9.76351 11.7335 8.01743 13.9245 6.5551 4.47084 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 6.09256 5.03194 5.03173 6.79366 7.77089 4.67929 numMergedOcc 0
12 mol 105 unq 1 iso 0 dist 8.40598 6.10266 5.03173 4.59356 7.77089 4.67929 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 8.73383 5.53962 6.98158 4.6853 9.59437 7.201 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.81111 15.0866 7.31037 17.0137 9.27009 6.17069 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 6.47434 5.03111 6.50043 4.70365 9.23136 5.93846 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.90567 4.98086 6.32777 4.6383 9.88897 5.82396 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.2933 14.0045 5.97685 15.7604 8.12266 4.48306 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.2933 14.0045 5.97685 9.35605 9.43306 10.2172 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.2933 14.0045 5.97685 5.66304 8.59681 10.9122 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.2933 17.8726 8.9289 15.7604 8.12266 4.88823 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 9.2933 17.8726 8.9289 9.35605 9.43306 14.2334 numMergedOcc 0
22 mol 181 unq 6 iso 0 dist 9.2933 17.8726 8.9289 5.66304 8.59681 16.1796 numMergedOcc 0
23 mol 181 unq 7 iso 0 dist 7.08557 10.2555 7.05653 6.36032 8.06308 5.82984 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 5.82124 10.1922 7.69296 4.54444 5.31416 6.2381 numMergedOcc 0
25 mol 214 unq 1 iso 0 dist 5.82124 10.1922 7.69296 7.05353 5.44533 9.8806 numMergedOcc 0
26 mol 214 unq 2 iso 0 dist 8.31236 11.0815 7.69296 5.33718 5.31416 6.2381 numMergedOcc 0
27 mol 214 unq 3 iso 0 dist 8.31236 11.0815 7.69296 5.12324 5.44533 9.8806 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 9.16554 8.67797 8.68913 5.53908 7.85836 8.0478 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 9.16554 8.67797 8.68913 8.8839 6.35532 10.9311 numMergedOcc 0
30 mol 273 unq 2 iso 0 dist 8.83491 13.2599 8.85779 12.7125 5.61969 4.42663 numMergedOcc 0
31 mol 273 unq 3 iso 0 dist 9.02711 10.9195 8.85779 10.8576 5.61969 4.42663 numMergedOcc 0
32 mol 273 unq 4 iso 0 dist 9.65597 17.2732 8.68913 11.7146 7.85836 8.0478 numMergedOcc 0
33 mol 273 unq 5 iso 0 dist 9.65597 17.2732 8.68913 7.90253 6.35532 10.9311 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 9.5144 13.074 5.7131 16.7232 8.6233 6.87619 numMergedOcc 0
