0 mol 24 unq 0 iso 0 dist 9.67696 11.9066 9.69752 13.8988 5.90981 8.62284 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.45854 5.06651 8.29345 11.975 5.54732 8.30176 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 7.29701 3.74136 7.62611 5.77804 6.957 7.85041 numMergedOcc 0
3 mol 120 unq 0 iso 0 dist 8.19198 5.25155 6.03352 10.8453 4.51697 8.43028 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 8.65287 4.91324 6.95405 11.327 11.562 6.82089 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 8.65287 4.91324 6.95405 9.02079 7.20197 5.38314 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.9967 14.2635 8.50562 18.8365 12.6448 9.39683 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 6.6094 5.78019 7.25644 7.9061 10.7872 5.1101 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 6.6094 5.78019 7.25644 4.48898 7.66774 7.01133 numMergedOcc 0
9 mol 147 unq 2 iso 0 dist 9.70579 7.70253 7.25644 12.5646 10.7872 5.1101 numMergedOcc 0
10 mol 147 unq 3 iso 0 dist 9.70579 7.70253 7.25644 13.2872 7.66774 7.01133 numMergedOcc 0
11 mol 147 unq 4 iso 0 dist 8.514 9.29701 7.25644 12.4034 10.7872 5.1101 numMergedOcc 0
12 mol 147 unq 5 iso 0 dist 8.514 9.29701 7.25644 9.03672 7.66774 7.01133 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 8.94488 8.77064 5.8628 14.1236 6.93752 7.35329 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.70622 11.1891 5.60528 7.06919 4.57622 7.01126 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 8.70622 5.28649 5.5995 7.06919 4.57622 6.58434 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.87853 4.41466 7.11785 10.4914 9.87435 7.345 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 5.87853 4.41466 7.11785 12.7342 14.6648 9.52987 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.77211 7.74227 7.02575 10.8278 5.34643 7.94153 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 7.06538 10.5008 8.43187 9.06161 5.97706 8.76185 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.00354 9.53753 8.20162 7.21089 6.16433 5.13453 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.61914 5.79235 5.0804 10.6914 5.2908 7.18771 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 9.61914 5.79235 5.0804 9.2456 5.91881 7.94894 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 8.68638 5.50333 7.21655 10.7464 10.6815 9.42738 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.7625 7.05559 7.85414 10.4665 6.56697 7.25677 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 8.91606 10.4329 7.21972 13.504 11.3687 9.80746 numMergedOcc 0
26 mol 278 unq 1 iso 0 dist 8.91606 10.4329 7.21972 15.8798 7.83538 9.48589 numMergedOcc 0
