0 mol 2 unq 0 iso 0 dist 8.5893 14.0366 9.71702 4.00237 5.74846 13.5077 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.88525 11.3269 9.71702 6.42073 5.74846 13.5077 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 8.45034 9.20585 8.67928 10.7036 9.74724 17.0937 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 8.45034 9.20585 8.67928 10.0419 9.13347 15.9137 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.26289 4.34206 7.43769 3.94866 5.31095 5.85737 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 8.26289 6.01868 5.2315 3.94866 5.31095 3.61653 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.11934 5.87788 9.57333 4.82623 6.10199 3.68327 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 4.83495 9.04331 7.77766 7.62353 5.16779 3.57191 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.43487 14.8221 5.9758 3.74516 8.46167 13.5955 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 9.43487 14.8221 5.9758 7.32784 6.13175 11.746 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 9.43487 14.8221 5.9758 8.46561 4.34107 9.9322 numMergedOcc 0
11 mol 113 unq 3 iso 0 dist 9.97052 13.6711 5.9758 11.4966 8.46167 13.5955 numMergedOcc 0
12 mol 113 unq 4 iso 0 dist 9.97052 13.6711 5.9758 11.9142 6.13175 11.746 numMergedOcc 0
13 mol 113 unq 5 iso 0 dist 9.97052 13.6711 5.9758 9.75283 4.34107 9.9322 numMergedOcc 0
14 mol 113 unq 6 iso 0 dist 7.3324 9.69428 5.9758 13.8072 8.46167 13.5955 numMergedOcc 0
15 mol 113 unq 7 iso 0 dist 7.3324 9.69428 5.9758 8.67805 6.13175 11.746 numMergedOcc 0
16 mol 113 unq 8 iso 0 dist 7.3324 9.69428 5.9758 6.03962 4.34107 9.9322 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 6.8458 5.21101 5.32751 5.21212 5.45716 3.67473 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 9.64841 5.50994 8.03721 10.0491 8.88297 11.1423 numMergedOcc 0
19 mol 148 unq 1 iso 0 dist 9.64841 13.1585 9.87021 10.0491 8.88297 9.00149 numMergedOcc 0
20 mol 148 unq 2 iso 0 dist 9.64841 12.5438 7.34023 10.0491 8.88297 10.5863 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 9.5865 5.60348 8.13558 9.98843 8.82984 11.289 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 9.5865 13.166 9.96938 9.98843 8.82984 9.04793 numMergedOcc 0
23 mol 150 unq 2 iso 0 dist 9.5865 12.5712 7.35268 9.98843 8.82984 10.5688 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 8.33743 4.05539 5.77928 9.08651 8.47836 7.99695 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 7.01175 12.0055 9.60449 12.5701 8.53393 4.60397 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 7.01175 12.0055 9.60449 12.5076 7.24165 5.26919 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 7.50074 15.6957 9.60449 15.7607 8.53393 4.60397 numMergedOcc 0
28 mol 266 unq 3 iso 0 dist 7.50074 15.6957 9.60449 14.5235 7.24165 5.26919 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 7.81415 10.5903 7.36223 15.5185 9.74797 12.3984 numMergedOcc 0
30 mol 283 unq 1 iso 0 dist 7.81415 10.5903 7.36223 6.35533 9.90494 13.6429 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 8.25719 8.46139 8.22213 12.3674 9.66129 9.68489 numMergedOcc 0
