0 mol 30 unq 0 iso 0 dist 8.28062 6.64571 10.8038 6.85599 14.3654 8.67216 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.90201 6.64571 5.6849 6.85599 11.8596 8.67216 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.42803 9.72104 7.24491 12.6483 13.2682 6.23509 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 8.66571 6.4927 5.82742 4.81856 7.58875 8.80645 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 8.66571 6.4927 5.82742 6.18636 9.52749 9.25711 numMergedOcc 0
5 mol 72 unq 2 iso 0 dist 8.66571 6.4927 5.82742 7.37013 6.91169 8.39955 numMergedOcc 0
6 mol 169 unq 0 iso 0 dist 8.28207 7.47708 11.1464 10.8926 12.9664 7.75523 numMergedOcc 0
7 mol 169 unq 1 iso 0 dist 8.37345 7.47708 11.6489 10.8926 10.1399 7.75523 numMergedOcc 0
8 mol 169 unq 2 iso 0 dist 8.80569 6.23277 13.1539 6.08425 10.1399 5.97653 numMergedOcc 0
9 mol 169 unq 3 iso 0 dist 8.80569 4.68818 11.6489 6.08425 10.1399 7.75523 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 8.3341 8.5078 12.5391 3.96674 7.30592 7.98132 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 9.04508 8.5078 13.4014 3.96674 10.3346 7.98132 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 7.83637 5.07766 12.192 5.95485 10.7064 8.74463 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 9.13983 9.01341 3.99887 4.44255 8.09509 9.81261 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 5.38333 6.21193 5.9468 7.85799 10.3645 8.06767 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 5.38333 6.21193 5.9468 12.9286 15.202 9.91087 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 5.38333 6.21193 5.9468 7.85799 10.3645 8.06767 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 5.38333 6.21193 5.9468 12.9286 15.202 9.91087 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 5.38333 6.21193 5.9468 7.85799 10.3645 8.06767 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 5.38333 6.21193 5.9468 12.9286 15.202 9.91087 numMergedOcc 0
