0 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 8.99751 10.4631 10.797 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62527 9.7522 4.52042 9.44507 12.1978 10.9837 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.45133 5.5814 10.3527 8.51496 4.96793 8.32637 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 4.38047 5.01159 4.29856 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.99115 8.94945 14.2098 8.51942 6.10379 15.1493 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 6.23138 6.11938 6.21578 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 6.2165 8.99491 10.1207 6.23138 4.43442 6.21578 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 4.98783 8.4545 11.5195 5.62309 5.60494 8.70803 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 4.98783 8.4545 11.5195 7.11438 4.76916 9.52327 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 4.98783 7.01176 11.5567 5.62309 5.60494 8.87994 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 4.98783 7.01176 11.5567 7.11438 4.76916 11.641 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.28645 7.53905 6.95852 5.42828 5.54999 5.76986 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 9.28645 7.15985 9.99381 5.42828 5.54999 5.39346 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 6.66022 5.16645 5.22052 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 9.51041 8.58906 12.5716 7.42278 7.35345 7.68909 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 8.21479 7.70279 8.14537 9.41148 13.3182 6.2188 numMergedOcc 0
16 mol 232 unq 1 iso 0 dist 8.21479 7.70279 8.14537 7.83422 8.15893 12.3508 numMergedOcc 0
17 mol 232 unq 2 iso 0 dist 8.21479 9.29752 6.1648 9.41148 13.3182 12.5452 numMergedOcc 0
18 mol 232 unq 3 iso 0 dist 8.21479 9.29752 6.1648 7.83422 8.15893 8.80479 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 8.19381 7.65388 8.82711 5.79898 11.4169 5.17744 numMergedOcc 0
20 mol 244 unq 1 iso 0 dist 8.93421 7.65388 16.3489 5.79898 12.7764 5.17744 numMergedOcc 0
21 mol 244 unq 2 iso 0 dist 7.35657 7.65388 14.6599 5.79898 12.7037 5.17744 numMergedOcc 0
22 mol 244 unq 3 iso 0 dist 6.19605 7.65388 11.9885 5.79898 8.63792 5.17744 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 9.69704 5.01342 5.78064 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 8.63176 9.76914 5.63675 numMergedOcc 0
