0 mol 20 unq 0 iso 0 dist 8.45034 12.221 8.81141 10.7036 9.74724 12.674 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.45034 12.221 8.81141 10.0419 9.13347 9.77882 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.76721 9.93763 7.43804 7.96851 9.52155 8.59444 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 9.76721 9.93763 7.43804 8.62174 9.16319 4.3825 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.11102 7.39536 7.3576 3.97946 6.28905 3.91174 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 8.48054 11.4735 7.3576 7.82134 6.28905 3.91174 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.27456 4.39271 6.00564 15.5854 9.43843 14.3481 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.27456 4.39271 6.00564 7.41484 7.67463 4.06365 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 5.11803 9.08676 9.29087 7.62353 6.69121 14.0343 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.43487 14.2684 8.97819 3.74516 8.46167 14.091 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.43487 14.2684 8.97819 7.32784 6.13175 14.6197 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 9.43487 14.2684 8.97819 8.46561 4.34107 12.8965 numMergedOcc 0
12 mol 113 unq 3 iso 0 dist 9.97052 11.5713 8.97819 11.4966 8.46167 14.091 numMergedOcc 0
13 mol 113 unq 4 iso 0 dist 9.97052 11.5713 8.97819 11.9142 6.13175 14.6197 numMergedOcc 0
14 mol 113 unq 5 iso 0 dist 9.97052 11.5713 8.97819 9.75283 4.34107 12.8965 numMergedOcc 0
15 mol 113 unq 6 iso 0 dist 7.3324 14.7564 8.97819 13.8072 8.46167 14.091 numMergedOcc 0
16 mol 113 unq 7 iso 0 dist 7.3324 14.7564 8.97819 8.67805 6.13175 14.6197 numMergedOcc 0
17 mol 113 unq 8 iso 0 dist 7.3324 14.7564 8.97819 6.03962 4.34107 12.8965 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 9.64841 11.4158 6.49708 10.0491 8.88297 3.94083 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 9.5865 11.4182 6.45018 9.98843 8.82984 3.99423 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 9.19804 4.89133 6.61386 6.10428 9.82522 9.47921 numMergedOcc 0
21 mol 154 unq 1 iso 0 dist 9.19804 4.89133 6.61386 3.93314 8.50773 3.48213 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 8.99034 5.5367 6.00293 10.0292 9.67872 5.21512 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 9.67328 9.70781 8.24405 9.74857 9.66947 7.1653 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 9.67328 9.70781 8.24405 5.83113 5.69652 6.72925 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 6.94771 8.04161 9.23268 6.66492 9.63062 13.313 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 8.74988 4.97784 7.81987 6.2863 8.89873 8.20635 numMergedOcc 0
