0 mol 24 unq 0 iso 0 dist 9.7649 17.7515 8.23075 13.0614 4.21283 4.93188 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.5268 14.2153 8.23075 9.71157 4.21283 4.93188 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.27814 13.4816 9.01812 8.64047 4.06365 8.00777 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 8.51084 4.41283 9.06601 8.28541 12.2445 7.71107 numMergedOcc 0
4 mol 111 unq 1 iso 0 dist 5.53271 4.41283 5.98809 8.28541 3.75797 7.71107 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 8.06631 11.5024 8.57739 12.0421 5.46636 8.80896 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 5.86693 4.93029 7.46621 11.1973 10.7652 6.69515 numMergedOcc 0
7 mol 178 unq 0 iso 0 dist 6.3472 4.51874 4.72821 8.56251 8.56547 4.92088 numMergedOcc 0
8 mol 194 unq 0 iso 0 dist 4.55528 9.45062 9.52922 10.264 7.82899 6.26839 numMergedOcc 0
9 mol 194 unq 1 iso 0 dist 6.88386 10.6236 9.52922 9.52702 7.82899 6.26839 numMergedOcc 0
10 mol 218 unq 0 iso 0 dist 6.46335 5.09263 7.84952 10.4624 9.46108 8.06216 numMergedOcc 0
11 mol 218 unq 1 iso 0 dist 6.46335 5.09263 7.84952 7.84953 11.2216 5.76954 numMergedOcc 0
12 mol 218 unq 2 iso 0 dist 6.46335 5.09263 7.84952 4.57726 5.46009 6.29511 numMergedOcc 0
13 mol 253 unq 0 iso 0 dist 8.58013 10.9466 9.1927 12.9824 5.26612 9.66465 numMergedOcc 0
14 mol 274 unq 0 iso 0 dist 9.89615 15.8358 8.12739 17.5443 8.96388 7.52109 numMergedOcc 0
15 mol 274 unq 1 iso 0 dist 9.89615 15.8358 8.12739 20.0493 12.596 7.44083 numMergedOcc 0
16 mol 274 unq 2 iso 0 dist 5.77565 4.68199 8.12739 10.3446 8.96388 7.52109 numMergedOcc 0
17 mol 274 unq 3 iso 0 dist 5.77565 4.68199 8.12739 11.6424 12.596 7.44083 numMergedOcc 0
18 mol 274 unq 4 iso 0 dist 6.32853 4.68199 6.09853 10.3446 6.75363 7.52109 numMergedOcc 0
19 mol 274 unq 5 iso 0 dist 6.32853 4.68199 6.09853 11.6424 8.42538 7.44083 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 7.58948 9.41638 8.88595 4.37724 4.65086 7.91611 numMergedOcc 0
