0 mol 26 unq 0 iso 0 dist 8.62527 8.99751 10.4631 9.35525 9.97152 17.0486 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62527 8.99751 10.4631 10.7581 9.03539 7.22361 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.62527 8.99751 10.4631 7.435 8.74037 13.7341 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.62527 9.44507 12.1978 9.35525 9.97152 18.2034 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 8.62527 9.44507 12.1978 10.7581 9.03539 11.4325 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 8.62527 9.44507 12.1978 7.435 8.74037 15.8363 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 8.34361 4.38047 5.01159 8.98505 8.41365 6.30987 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.87592 6.66022 5.16645 5.46352 8.77794 5.60389 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 8.51507 7.6005 7.11876 5.79458 9.88812 6.49383 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 8.22285 8.7583 7.11876 9.91115 9.88812 6.49383 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 8.53875 7.6793 12.6641 8.66026 8.12409 11.8697 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 9.51041 7.42278 7.35345 6.33235 9.21278 11.2844 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.99964 5.97968 7.23046 4.24915 7.88787 5.95304 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 6.93144 8.50382 7.23046 4.20499 7.88787 5.95304 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 7.04782 9.07527 14.9846 6.39513 7.88787 10.2746 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 9.39697 8.13947 6.45756 4.04021 9.75763 9.82588 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 4.86882 8.13947 5.65165 4.04021 6.52001 9.82588 numMergedOcc 0
17 mol 195 unq 2 iso 0 dist 4.86882 8.13947 5.65165 8.88132 9.70659 14.2604 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.21479 9.41148 13.3182 6.17401 8.94854 7.10413 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 8.21479 7.83422 8.15893 6.17401 8.94854 12.9353 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 8.11437 9.69704 5.01342 8.75798 6.52138 9.58354 numMergedOcc 0
