0 mol 35 unq 0 iso 0 dist 9.94008 12.2337 6.16132 11.4011 9.81737 10.0288 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 7.30392 3.91116 6.35789 10.9933 7.61631 7.63029 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 8.44753 10.2117 9.00405 9.5091 7.09393 6.73658 numMergedOcc 0
3 mol 69 unq 1 iso 0 dist 8.44753 10.2117 9.00405 6.88345 3.87167 6.55166 numMergedOcc 0
4 mol 69 unq 2 iso 0 dist 8.44753 5.07575 5.06756 9.5091 7.09393 6.60542 numMergedOcc 0
5 mol 69 unq 3 iso 0 dist 8.44753 5.07575 5.06756 6.88345 3.87167 3.36421 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.70106 10.6064 7.52954 11.4822 7.81042 4.32749 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 7.76707 7.02849 8.56386 8.37794 9.86842 14.7054 numMergedOcc 0
8 mol 123 unq 1 iso 0 dist 7.63425 3.4208 8.56386 12.9585 9.86842 14.7054 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.89671 12.4418 7.67877 9.76471 7.96689 7.25115 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.89671 12.4418 7.67877 13.9686 4.83134 6.02631 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.98221 10.7102 5.83898 13.6469 9.08767 8.56706 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 7.6174 13.1272 7.54614 8.00807 7.20862 9.97507 numMergedOcc 0
13 mol 254 unq 0 iso 0 dist 9.26382 16.1098 8.76115 12.2374 7.53352 5.24816 numMergedOcc 0
14 mol 254 unq 1 iso 0 dist 9.26382 16.1098 8.76115 8.99253 7.80793 9.11887 numMergedOcc 0
15 mol 254 unq 2 iso 0 dist 9.73281 18.0832 8.76115 14.9316 7.53352 5.24816 numMergedOcc 0
16 mol 254 unq 3 iso 0 dist 9.73281 18.0832 8.76115 13.1153 7.80793 9.11887 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 9.49732 12.8939 8.06908 17.4311 8.91916 7.10624 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 9.49732 12.8939 8.06908 12.8835 4.55368 5.09929 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 5.71066 12.7549 9.5388 9.16059 9.68846 16.342 numMergedOcc 0
20 mol 276 unq 1 iso 0 dist 9.69468 10.5398 9.5388 8.22334 9.68846 16.342 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 9.82337 10.1296 8.43009 14.0912 8.3815 5.51524 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 9.82337 10.1296 8.43009 10.1502 7.13925 11.6321 numMergedOcc 0
23 mol 283 unq 2 iso 0 dist 6.3448 9.38191 8.43009 11.5049 8.3815 5.51524 numMergedOcc 0
24 mol 283 unq 3 iso 0 dist 6.3448 9.38191 8.43009 5.47552 7.13925 11.6321 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 4.66252 8.98504 8.58119 5.44878 4.49185 5.26936 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 4.66252 8.98504 8.58119 5.44878 4.49185 5.26936 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 4.66252 8.98504 8.58119 5.44878 4.49185 5.26936 numMergedOcc 0
28 mol 293 unq 0 iso 0 dist 8.27274 4.35498 6.83404 11.8152 8.42712 8.01733 numMergedOcc 0
