0 mol 7 unq 0 iso 0 dist 6.36911 9.87885 7.92429 5.03847 9.97624 11.2901 13.2247 9.36807 6.1206 13.8829 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.36807 6.1206 7.92429 13.8829 9.97624 11.2901 13.2247 6.36911 9.87885 5.03847 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 7.12541 8.71468 10.4354 10.8779 16.0571 8.66539 10.7169 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 7.12541 8.71468 10.4354 5.47421 10.335 5.38524 7.09066 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 5.49591 9.11258 9.01564 4.81926 11.5023 9.22598 9.95364 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 5.11416 7.10439 6.14542 5.4148 4.65521 7.4369 6.56633 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 4.65521 7.4369 6.15714 6.56633 7.10439 6.14542 5.4148 8.70133 9.73086 5.11416 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 6.21982 6.72869 4.00608 4.85247 7.03226 7.46095 10.2879 8.19682 9.85905 6.45686 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.19682 9.85905 4.00608 6.45686 7.03226 7.46095 10.2879 6.21982 6.72869 4.85247 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.64585 6.39384 5.65471 6.40494 7.52142 10.2171 7.69052 12.2309 9.42082 10.4285 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 4.57832 8.73604 9.0176 5.62899 13.0121 9.66543 7.1797 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.79571 7.21868 5.67107 4.57832 8.73604 9.0176 5.49782 5.42582 7.93372 5.29786 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 5.42582 7.93372 5.67107 5.29786 8.73604 9.0176 10.7144 13.0121 9.66543 7.1797 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 5.42582 7.93372 5.67107 5.29786 8.73604 9.0176 5.49782 8.79571 7.21868 4.57832 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 8.94837 9.00918 5.58312 14.2198 6.93279 7.83568 14.069 11.0162 9.10524 6.98221 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 8.94837 7.99477 9.61537 14.2198 6.93279 12.0743 6.90348 13.0127 5.35237 16.2713 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 7.98142 9.01624 12.2513 5.63555 5.97685 10.5303 11.5866 16.7285 5.05973 13.8719 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 7.37327 9.01624 14.8923 5.63555 8.9289 10.5303 11.5866 18.3916 5.05973 13.8719 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 8.36822 5.64942 10.1087 8.49529 7.33225 13.3256 5.76246 12.1647 6.97962 11.7523 numMergedOcc 0
19 mol 192 unq 1 iso 0 dist 8.36822 7.43054 10.0566 8.49529 7.33225 13.7172 5.76246 12.1647 6.79229 11.7523 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 8.32583 9.47117 10.7064 13.3965 9.88956 6.50998 16.6675 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.17891 5.23634 4.09934 10.9607 7.57454 8.91971 5.22356 6.95902 6.91318 9.72615 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 6.95902 6.91318 4.09934 9.72615 7.57454 8.91971 5.22356 8.17891 5.23634 10.9607 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 10.0059 7.43663 7.77911 10.2693 11.8897 5.64285 5.08515 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 9.39181 5.64285 6.45373 5.08515 7.94068 7.77911 10.2693 10.475 7.81215 10.0059 numMergedOcc 0
25 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 12.6661 7.22019 12.6164 10.2693 10.475 7.81215 15.6225 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 6.82855 7.31773 8.97952 7.218 7.32211 5.1823 6.46722 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 6.98084 6.29377 7.34601 6.82855 7.31773 10.1845 7.218 7.32211 5.70635 6.46722 numMergedOcc 0
28 mol 235 unq 2 iso 0 dist 7.32211 5.1823 4.47008 6.46722 7.31773 8.97952 7.218 6.98084 8.19317 6.82855 numMergedOcc 0
29 mol 235 unq 3 iso 0 dist 7.32211 5.70635 7.34601 6.46722 7.31773 10.1845 7.218 6.98084 6.29377 6.82855 numMergedOcc 0
30 mol 257 unq 0 iso 0 dist 7.27505 7.81897 7.89807 6.74593 8.60481 10.3681 5.74182 10.9918 6.34915 8.99037 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 7.48005 7.66153 14.0829 8.81835 8.71497 14.6679 4.69778 10.9591 9.07743 8.41846 numMergedOcc 0
