0 mol 26 unq 0 iso 0 dist 8.06656 4.25444 8.42581 5.43726 7.90721 5.11733 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.06929 13.5746 7.61055 7.56492 6.73167 10.267 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.06929 13.5746 7.61055 9.32305 7.40948 6.77624 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.58514 10.7796 7.61055 13.5965 6.73167 10.267 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 8.58514 10.7796 7.61055 5.90891 7.40948 6.77624 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.85244 9.01955 8.69209 5.65381 9.86664 5.55865 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.46327 4.55399 7.85041 8.99253 7.8435 12.1673 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.46327 4.55399 7.85041 3.78587 5.99269 7.30779 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 7.46327 4.55399 7.85041 10.5386 5.71763 9.18194 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 9.60646 12.0852 5.1101 10.7996 9.43989 11.4653 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 9.60646 14.0758 7.01133 10.7996 9.43989 7.68412 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 8.56251 6.03496 5.98771 4.00111 8.25282 5.88866 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 6.78113 9.50216 8.89822 3.85894 7.88014 6.81586 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.67802 10.3571 7.94153 11.7817 7.04815 5.93479 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.67802 10.3571 7.94153 5.74741 6.07389 5.86306 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 9.18314 10.5919 7.94153 13.8203 7.04815 5.93479 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 9.18314 10.5919 7.94153 12.4955 6.07389 5.86306 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 9.96728 12.5054 9.79691 9.71052 6.34234 10.5776 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 9.96728 12.5054 9.79691 10.1093 7.87972 4.18074 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 7.82138 8.80846 6.57207 6.96456 9.39658 9.43777 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.31175 5.06556 8.23056 7.20921 5.8304 6.25207 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 8.31175 5.06556 8.23056 13.1821 7.37478 10.8722 numMergedOcc 0
