0 mol 17 unq 0 iso 0 dist 6.53817 9.81769 5.14154 9.16861 12.6863 17.064 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 9.81769 6.53817 5.14154 9.16861 17.064 12.6863 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 7.72437 10.6667 5.76588 numMergedOcc 0
3 mol 64 unq 0 iso 1 dist 7.02352 9.10915 9.21892 7.72437 5.76588 10.6667 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.24121 8.52371 10.149 5.29487 11.1718 5.16281 numMergedOcc 0
5 mol 69 unq 0 iso 1 dist 8.52371 8.24121 10.149 5.29487 5.16281 11.1718 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 8.24121 6.8198 12.0119 5.29487 11.1718 6.26716 numMergedOcc 0
7 mol 69 unq 1 iso 1 dist 6.8198 8.24121 12.0119 5.29487 6.26716 11.1718 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 8.52371 6.8198 9.16015 5.29487 5.16281 6.26716 numMergedOcc 0
9 mol 69 unq 1 iso 1 dist 6.8198 8.52371 9.16015 5.29487 6.26716 5.16281 numMergedOcc 0
10 mol 71 unq 0 iso 0 dist 8.21553 8.22762 7.16971 6.59302 9.06307 7.31251 numMergedOcc 0
11 mol 71 unq 0 iso 1 dist 8.22762 8.21553 7.16971 6.59302 7.31251 9.06307 numMergedOcc 0
12 mol 71 unq 1 iso 0 dist 8.21553 8.22762 7.16971 9.93626 11.3111 5.11959 numMergedOcc 0
13 mol 71 unq 1 iso 1 dist 8.22762 8.21553 7.16971 9.93626 5.11959 11.3111 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 7.48277 9.0361 9.15076 6.793 4.32286 5.498 numMergedOcc 0
15 mol 102 unq 0 iso 1 dist 9.0361 7.48277 9.15076 6.793 5.498 4.32286 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 8.19156 9.54589 11.5982 6.71591 5.37729 8.16165 numMergedOcc 0
17 mol 114 unq 0 iso 1 dist 9.54589 8.19156 11.5982 6.71591 8.16165 5.37729 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 9.41832 5.44596 6.43459 5.17739 5.58533 4.6872 numMergedOcc 0
19 mol 140 unq 0 iso 1 dist 5.44596 9.41832 6.43459 5.17739 4.6872 5.58533 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 9.41832 9.69069 8.90548 5.17739 5.58533 5.5723 numMergedOcc 0
21 mol 140 unq 1 iso 1 dist 9.69069 9.41832 8.90548 5.17739 5.5723 5.58533 numMergedOcc 0
22 mol 140 unq 1 iso 0 dist 5.44596 9.69069 9.87462 5.17739 4.6872 5.5723 numMergedOcc 0
23 mol 140 unq 1 iso 1 dist 9.69069 5.44596 9.87462 5.17739 5.5723 4.6872 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 6.73365 9.45659 5.35493 7.77669 10.3111 10.6973 numMergedOcc 0
25 mol 175 unq 0 iso 1 dist 9.45659 6.73365 5.35493 7.77669 10.6973 10.3111 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 6.73365 9.44856 9.63234 7.77669 10.3111 6.27043 numMergedOcc 0
27 mol 175 unq 1 iso 1 dist 9.44856 6.73365 9.63234 7.77669 6.27043 10.3111 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 9.45659 9.44856 6.80157 7.77669 10.6973 6.27043 numMergedOcc 0
29 mol 175 unq 1 iso 1 dist 9.44856 9.45659 6.80157 7.77669 6.27043 10.6973 numMergedOcc 0
30 mol 219 unq 0 iso 0 dist 8.09769 7.24832 7.02195 9.38761 4.74167 4.9853 numMergedOcc 0
31 mol 219 unq 0 iso 1 dist 7.24832 8.09769 7.02195 9.38761 4.9853 4.74167 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 7.30244 7.29796 6.89336 9.13234 12.4477 12.3083 numMergedOcc 0
33 mol 220 unq 0 iso 1 dist 7.29796 7.30244 6.89336 9.13234 12.3083 12.4477 numMergedOcc 0
