0 mol 17 unq 0 iso 0 dist 6.53817 9.78918 5.67637 8.6745 8.25879 11.7645 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.53817 6.80314 4.03817 8.6745 8.25879 11.6437 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.81769 9.78918 9.78461 8.6745 10.9688 11.7645 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.81769 6.80314 5.12703 8.6745 10.9688 11.6437 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 8.85347 7.30397 8.28093 7.30688 7.08873 10.3978 numMergedOcc 0
5 mol 21 unq 1 iso 0 dist 8.85347 7.30397 8.28093 6.70786 11.1907 5.35749 numMergedOcc 0
6 mol 21 unq 2 iso 0 dist 8.85347 7.30397 8.28093 8.16395 9.73407 5.80193 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 5.36645 6.42242 8.82805 6.68961 7.14094 3.90503 numMergedOcc 0
8 mol 53 unq 0 iso 0 dist 8.94173 8.5021 9.59418 9.73556 5.62731 12.1729 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 7.9572 9.42982 4.3987 6.44825 9.25732 8.81493 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 7.9572 8.17929 9.9849 6.44825 9.25732 8.39222 numMergedOcc 0
11 mol 67 unq 2 iso 0 dist 7.9572 5.63802 10.0069 6.44825 9.25732 5.26394 numMergedOcc 0
12 mol 67 unq 3 iso 0 dist 8.64208 9.42982 9.67324 6.44825 13.625 8.81493 numMergedOcc 0
13 mol 67 unq 4 iso 0 dist 8.64208 8.17929 14.5039 6.44825 13.625 8.39222 numMergedOcc 0
14 mol 67 unq 5 iso 0 dist 8.64208 5.63802 13.6485 6.44825 13.625 5.26394 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 9.89021 8.3768 10.9261 7.69222 15.8457 15.1958 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.89021 8.3768 10.9261 5.82056 14.3818 13.8938 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 9.89021 8.3768 10.9261 9.09115 16.9684 16.4986 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 9.89021 8.13535 14.3261 7.69222 15.8457 13.5897 numMergedOcc 0
19 mol 73 unq 4 iso 0 dist 9.89021 8.13535 14.3261 5.82056 14.3818 12.3893 numMergedOcc 0
20 mol 73 unq 5 iso 0 dist 9.89021 8.13535 14.3261 9.09115 16.9684 14.6305 numMergedOcc 0
21 mol 140 unq 0 iso 0 dist 9.41832 6.58859 11.9251 8.4449 6.29124 7.33205 numMergedOcc 0
22 mol 140 unq 1 iso 0 dist 5.44596 6.58859 8.5945 8.4449 5.65439 7.33205 numMergedOcc 0
23 mol 140 unq 2 iso 0 dist 9.69069 6.58859 6.84624 8.4449 5.62569 7.33205 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 8.66709 9.83653 6.3363 5.55218 7.10286 10.0781 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 8.34161 7.23059 8.22911 4.89503 5.43727 4.09908 numMergedOcc 0
26 mol 158 unq 1 iso 0 dist 6.95381 7.23059 10.1352 4.89503 6.05886 4.09908 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 9.42819 6.80226 10.1865 6.51243 5.65603 4.8427 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 6.01711 6.4751 11.5561 9.67711 7.5383 11.4851 numMergedOcc 0
29 mol 171 unq 1 iso 0 dist 6.01711 5.75085 10.844 9.67711 7.5383 12.9811 numMergedOcc 0
30 mol 173 unq 0 iso 0 dist 8.84671 9.31172 13.2996 6.95244 7.73027 11.3761 numMergedOcc 0
31 mol 173 unq 1 iso 0 dist 8.84671 9.31172 13.2996 6.11224 8.97627 4.60149 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 6.54753 9.57659 10.199 8.66133 4.24707 14.3854 numMergedOcc 0
33 mol 273 unq 1 iso 0 dist 6.54753 9.57659 10.199 6.95569 12.634 10.292 numMergedOcc 0
34 mol 273 unq 2 iso 0 dist 6.54753 7.8424 5.81246 8.66133 4.24707 9.95392 numMergedOcc 0
35 mol 273 unq 3 iso 0 dist 6.54753 7.8424 5.81246 6.95569 12.634 12.1867 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 5.17586 9.24164 11.5885 7.03656 8.4236 3.80663 numMergedOcc 0
