0 mol 24 unq 0 iso 0 dist 9.97079 7.23245 8.83657 14.1937 8.85286 9.78196 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.97079 6.00701 6.74914 14.1937 8.85286 8.20543 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.42301 8.96917 6.64721 12.6126 7.31718 7.827 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 8.42301 8.96917 6.64721 5.36379 5.47447 8.35566 numMergedOcc 0
4 mol 41 unq 2 iso 0 dist 8.42301 15.25 9.36169 12.6126 7.31718 5.82619 numMergedOcc 0
5 mol 41 unq 3 iso 0 dist 8.42301 15.25 9.36169 5.36379 5.47447 12.3869 numMergedOcc 0
6 mol 41 unq 4 iso 0 dist 5.61445 8.98419 6.64721 3.76176 7.31718 7.827 numMergedOcc 0
7 mol 41 unq 5 iso 0 dist 5.61445 8.98419 6.64721 5.91763 5.47447 8.35566 numMergedOcc 0
8 mol 41 unq 6 iso 0 dist 5.61445 8.91018 9.36169 3.76176 7.31718 5.82619 numMergedOcc 0
9 mol 41 unq 7 iso 0 dist 5.61445 8.91018 9.36169 5.91763 5.47447 12.3869 numMergedOcc 0
10 mol 41 unq 8 iso 0 dist 8.76331 11.8231 6.64721 5.24152 7.31718 7.827 numMergedOcc 0
11 mol 41 unq 9 iso 0 dist 8.76331 11.8231 6.64721 11.1263 5.47447 8.35566 numMergedOcc 0
12 mol 41 unq 10 iso 0 dist 8.76331 8.11042 9.36169 5.24152 7.31718 5.82619 numMergedOcc 0
13 mol 41 unq 11 iso 0 dist 8.76331 8.11042 9.36169 11.1263 5.47447 12.3869 numMergedOcc 0
14 mol 63 unq 0 iso 0 dist 9.05521 4.44952 8.53833 7.73238 8.78414 11.1855 numMergedOcc 0
15 mol 63 unq 1 iso 0 dist 9.05521 12.4725 9.6401 7.73238 8.78414 6.63195 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 8.24351 11.6991 7.65917 14.9036 9.54696 3.87187 numMergedOcc 0
17 mol 79 unq 1 iso 0 dist 8.24351 11.6991 7.65917 10.8401 4.62636 7.45894 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 8.67784 13.9551 9.43355 6.18885 6.67678 13.6305 numMergedOcc 0
19 mol 93 unq 1 iso 0 dist 8.67784 13.9551 9.43355 3.60545 7.24956 14.1431 numMergedOcc 0
20 mol 93 unq 2 iso 0 dist 8.67784 13.9551 9.43355 12.1616 8.28591 3.99275 numMergedOcc 0
21 mol 93 unq 3 iso 0 dist 8.67784 13.9551 9.43355 9.31762 9.40687 6.46195 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 8.54553 11.1139 5.24228 12.1766 5.95801 6.46148 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 8.54553 11.1139 5.24228 14.3604 9.92715 14.5965 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 7.7347 6.01768 6.66615 6.15645 8.55386 3.9472 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 8.22452 9.0822 7.51385 3.54301 6.22311 6.00938 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 8.22452 9.0822 7.51385 3.54301 6.22311 6.00938 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.22452 9.0822 7.51385 3.54301 6.22311 6.00938 numMergedOcc 0
