0 mol 48 unq 0 iso 0 dist 7.4343 6.39142 5.35252 4.62799 9.79657 10.6637 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 9.47132 5.06686 7.44913 9.76738 9.56188 9.57875 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.50028 5.19187 7.45777 12.1332 6.85356 10.345 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.50028 5.19187 7.45777 14.2641 7.32265 14.1204 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 7.6104 13.468 7.2118 14.0631 7.9309 9.9201 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 4.58684 5.79354 6.22441 7.32447 7.35921 4.54351 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 6.90348 5.79354 5.91543 5.83034 9.78949 6.17843 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 5.57391 4.73115 8.68674 5.77364 4.82346 8.61334 numMergedOcc 0
8 mol 99 unq 1 iso 0 dist 5.57391 4.73115 8.68674 10.4509 8.07233 12.2155 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.98949 12.1136 6.08846 5.7687 6.45169 9.13134 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 8.98949 15.0398 9.19171 5.7687 6.45169 9.57821 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.13917 4.61198 8.8353 5.08182 5.92836 7.82218 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.67331 4.92832 9.88178 12.8386 8.15734 15.6097 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 9.67331 4.92832 9.88178 3.94348 6.00896 5.57607 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 9.83891 13.6481 7.86075 6.1644 7.62505 8.07672 numMergedOcc 0
15 mol 203 unq 0 iso 0 dist 9.52542 10.3525 6.84619 6.98545 5.46529 4.51654 numMergedOcc 0
16 mol 203 unq 1 iso 0 dist 9.80432 12.8357 6.84619 10.347 5.46529 4.51654 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.96503 4.79799 5.86839 7.51653 6.02053 6.38518 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 8.96503 4.79799 5.86839 10.6644 7.41663 7.86936 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 6.61789 5.87078 8.05949 6.0491 8.50367 11.5037 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 6.61789 5.87078 8.05949 11.257 8.94889 15.7959 numMergedOcc 0
21 mol 212 unq 0 iso 0 dist 8.31372 5.30451 7.6819 11.6841 9.1732 6.95437 numMergedOcc 0
22 mol 212 unq 1 iso 0 dist 8.31372 4.71691 6.36102 11.6841 9.1732 9.01479 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 9.92349 11.12 5.25149 5.4891 9.57625 8.17619 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 9.70779 11.12 8.6368 15.2237 9.984 7.36665 numMergedOcc 0
25 mol 220 unq 2 iso 0 dist 9.70779 11.12 8.6368 5.4891 8.08702 8.17619 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 6.55222 13.0572 8.86185 14.1404 7.80073 10.1043 numMergedOcc 0
27 mol 255 unq 0 iso 0 dist 8.01663 9.80877 7.57779 5.28877 7.16286 12.1115 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 9.32251 14.2481 9.86267 15.8365 9.78704 8.46595 numMergedOcc 0
