0 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 6.91314 9.51568 6.23015 11.3543 6.67334 10.1154 8.85174 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 8.21493 7.07399 6.33828 5.49251 10.1828 6.23015 10.6338 15.7594 10.1154 8.85174 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.75144 9.01567 13.2265 8.91183 16.8819 6.19899 11.0194 16.6402 4.50066 5.68215 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.75144 7.29868 13.719 8.91183 16.8819 6.61696 11.0194 16.6402 5.11617 5.68215 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.75144 7.29868 13.719 5.69214 11.8884 5.80953 6.86014 5.39241 8.52463 7.95042 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.58673 8.80614 8.88332 9.87158 15.7229 9.01564 6.62496 10.2241 9.95364 9.22598 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.58673 8.80614 8.88332 9.87158 15.7229 9.01564 6.35756 7.05413 5.49591 8.96727 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.58673 8.80614 8.88332 5.86526 12.8612 7.11065 6.35756 7.05413 5.49591 8.01308 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 6.77912 9.27838 4.67641 5.69391 5.4605 7.58875 9.96708 7.11552 11.6378 9.55118 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 6.58204 7.01812 10.0891 4.03277 10.259 6.59691 9.60661 10.9608 5.80144 8.91882 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 6.58204 7.01812 10.0891 4.03277 10.259 6.59691 10.1489 14.0755 5.42531 9.21662 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 7.75343 8.30845 10.0891 6.23008 10.259 6.59691 6.65086 10.9608 5.80144 8.91882 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 7.75343 8.30845 10.0891 6.23008 10.259 6.59691 13.2001 14.0755 5.42531 9.21662 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 5.87358 7.80523 6.89298 5.00433 9.74008 7.56755 13.1098 15.054 10.0688 9.89083 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 5.87358 7.80523 6.89298 5.00433 9.74008 7.56755 8.69985 9.46098 7.74599 8.52024 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.80862 6.73586 4.95807 4.39676 9.56225 8.67537 6.18601 9.35964 5.13589 8.95212 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 9.80862 6.73586 4.95807 4.39676 9.56225 8.67537 10.1813 9.64166 10.8661 6.99446 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 9.80862 6.73586 4.95807 4.39676 9.56225 8.67537 9.72413 12.6801 12.0175 7.64052 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 8.43904 6.73586 7.39626 4.39676 6.13374 8.67537 6.18601 10.3457 5.13589 8.95212 numMergedOcc 0
19 mol 119 unq 4 iso 0 dist 8.43904 6.73586 7.39626 4.39676 6.13374 8.67537 10.1813 6.35763 10.8661 6.99446 numMergedOcc 0
20 mol 119 unq 5 iso 0 dist 8.43904 6.73586 7.39626 4.39676 6.13374 8.67537 9.72413 10.0197 12.0175 7.64052 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 9.87281 8.69157 7.6506 12.6999 13.5963 9.24038 12.3052 6.3437 6.89781 8.97626 numMergedOcc 0
22 mol 155 unq 1 iso 0 dist 9.38946 7.92304 9.50478 4.91785 7.29911 9.16358 6.43582 12.8482 5.50031 8.97626 numMergedOcc 0
23 mol 155 unq 2 iso 0 dist 7.39644 6.53347 6.40403 7.10286 5.36254 9.24038 10.7829 8.27726 6.89781 8.97626 numMergedOcc 0
24 mol 155 unq 3 iso 0 dist 7.36102 7.92304 5.50045 4.91785 5.36254 9.16358 6.43582 8.27726 5.50031 8.97626 numMergedOcc 0
25 mol 155 unq 4 iso 0 dist 8.65888 8.69157 4.40321 12.6999 12.6321 9.24038 12.3052 11.1591 6.89781 8.97626 numMergedOcc 0
26 mol 155 unq 5 iso 0 dist 7.70572 6.53347 4.40321 7.10286 12.6321 9.24038 10.7829 11.1591 6.89781 8.97626 numMergedOcc 0
27 mol 155 unq 6 iso 0 dist 8.27111 8.69157 6.00473 12.6999 14.7426 9.24038 12.3052 9.99927 6.89781 8.97626 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.93764 5.9176 5.60306 10.6474 10.9785 8.12266 7.63312 4.80231 5.63555 6.64173 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 6.93764 5.9176 5.60306 5.12833 10.9567 9.43306 7.63312 4.80231 5.63555 9.55105 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 6.93764 6.41453 6.05477 5.93724 10.1634 5.99437 7.63312 4.80231 7.20191 9.01624 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 6.93764 6.41453 6.05477 5.93724 10.1634 5.99437 9.11469 11.4616 5.48529 5.05973 numMergedOcc 0
32 mol 181 unq 4 iso 0 dist 6.93764 6.41453 6.05477 5.12833 10.9567 8.4848 7.63312 4.80231 7.20191 9.55105 numMergedOcc 0
33 mol 181 unq 5 iso 0 dist 4.93785 9.39829 7.30555 5.71898 6.76746 5.99437 7.81386 6.7991 7.20191 9.01624 numMergedOcc 0
34 mol 181 unq 6 iso 0 dist 4.93785 9.39829 7.30555 5.71898 6.76746 5.99437 9.81747 8.35755 5.48529 5.05973 numMergedOcc 0
35 mol 181 unq 7 iso 0 dist 4.93785 9.39829 7.30555 5.83796 8.92098 8.4848 7.81386 6.7991 7.20191 9.55105 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 6.82208 7.67576 7.39748 6.84862 11.8745 8.43195 7.21333 12.2813 7.75656 5.56538 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 6.82208 7.67576 7.39748 9.53117 12.9858 8.23406 7.21333 12.2813 7.75656 7.48954 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 9.74344 15.7309 9.9183 10.5803 14.5897 4.9377 6.71524 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 6.16063 7.32499 7.17691 13.1872 9.11572 7.77911 10.3625 5.56749 10.0059 7.81215 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 6.16063 7.32499 7.17691 13.1872 9.11572 7.77911 11.0622 8.0608 5.08515 5.64285 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 12.393 12.703 7.77765 10.7806 5.31116 9.5468 9.30212 numMergedOcc 0
42 mol 274 unq 1 iso 0 dist 9.19234 9.45514 12.625 8.87855 6.66172 9.65868 10.7806 5.31116 9.5468 6.4611 numMergedOcc 0
43 mol 274 unq 2 iso 0 dist 9.19234 6.39866 4.60275 8.87855 6.66172 8.60027 10.7806 5.31116 6.70925 6.4611 numMergedOcc 0
