0 mol 18 unq 0 iso 0 dist 6.45965 3.65324 7.63261 5.32149 6.47139 7.23594 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.7961 9.79432 6.38662 6.35333 5.16403 9.15042 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.00045 5.39861 7.50417 10.6426 4.4651 7.80757 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.00045 5.39861 7.50417 10.8142 9.31889 5.5849 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.00045 10.6037 6.28063 10.6426 4.4651 5.02591 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.60916 6.39254 8.48295 13.2479 10.2967 7.47827 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 9.44798 10.2245 8.48295 10.65 10.2967 7.47827 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.03407 11.0794 9.79055 8.3558 7.17015 5.89394 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.39759 11.0794 9.28919 8.3558 4.52119 5.89394 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 6.82522 9.72663 8.54807 8.07365 5.33325 6.05043 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 9.89353 10.7094 8.54807 12.4296 5.33325 6.05043 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 8.3907 9.39204 4.38961 8.47907 4.42285 5.09114 numMergedOcc 0
12 mol 122 unq 1 iso 0 dist 9.14875 7.34635 4.38961 10.5967 4.42285 5.09114 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.76781 8.05784 8.40514 9.45075 5.97308 8.03567 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.51189 5.36105 8.40514 10.8152 5.97308 8.03567 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.6317 10.8101 6.99474 13.7903 10.6493 7.92766 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 9.6317 10.8101 6.99474 11.6937 4.30341 6.32652 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.62404 13.0987 6.79839 13.6631 8.20031 7.96424 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 6.62404 13.0987 6.79839 10.7773 4.56064 5.40366 numMergedOcc 0
19 mol 220 unq 2 iso 0 dist 6.62404 13.0987 6.79839 11.8036 8.0303 8.93637 numMergedOcc 0
20 mol 220 unq 3 iso 0 dist 9.37847 15.6162 6.79839 16.6539 8.20031 7.96424 numMergedOcc 0
21 mol 220 unq 4 iso 0 dist 9.37847 15.6162 6.79839 12.2932 4.56064 5.40366 numMergedOcc 0
22 mol 220 unq 5 iso 0 dist 9.37847 15.6162 6.79839 11.1368 8.0303 8.93637 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.69335 12.2667 7.49227 18.2033 8.65229 9.93154 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 9.69335 12.2667 7.49227 20.8646 13.0161 9.18218 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 9.69335 12.2667 7.49227 18.0068 11.8065 6.18486 numMergedOcc 0
26 mol 227 unq 3 iso 0 dist 5.36841 12.1436 7.49227 11.3699 8.65229 9.93154 numMergedOcc 0
27 mol 227 unq 4 iso 0 dist 5.36841 12.1436 7.49227 16.5808 13.0161 9.18218 numMergedOcc 0
28 mol 227 unq 5 iso 0 dist 5.36841 12.1436 7.49227 15.5504 11.8065 6.18486 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 8.99187 12.9233 9.22345 11.5946 8.04474 5.69465 numMergedOcc 0
