0 mol 17 unq 0 iso 0 dist 8.58468 9.26114 7.34681 17.5157 11.0023 9.5937 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.25196 6.39129 8.16246 8.88159 5.58256 9.48823 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 8.88159 6.39129 9.48823 6.25196 5.58256 8.16246 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 9.43192 9.5944 7.15248 15.7406 11.9277 7.51967 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 9.43192 9.5944 7.15248 12.131 9.42543 6.04303 numMergedOcc 0
5 mol 67 unq 2 iso 0 dist 9.43192 6.26086 8.43162 12.131 9.42543 6.12267 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.88177 5.87263 8.078 10.3824 11.6637 6.56481 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 5.58346 8.38134 6.53824 7.09179 4.48374 6.61973 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 7.09179 8.38134 6.61973 5.58346 4.48374 6.53824 numMergedOcc 0
9 mol 116 unq 2 iso 0 dist 6.24768 5.88698 6.53824 9.31875 4.48374 6.61973 numMergedOcc 0
10 mol 116 unq 3 iso 0 dist 9.31875 5.88698 6.61973 6.24768 4.48374 6.53824 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.16949 5.14081 7.60956 8.65294 5.17212 9.9171 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 8.65294 5.14081 9.9171 9.16949 5.17212 7.60956 numMergedOcc 0
13 mol 174 unq 0 iso 0 dist 8.36618 9.60153 8.16228 11.6613 5.33032 8.57467 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.90753 7.11843 9.40718 13.9262 12.0946 8.92801 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 6.23903 7.14992 8.97652 10.2207 5.77399 8.29364 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 8.22495 10.0544 8.29364 8.39603 5.77399 8.97652 numMergedOcc 0
17 mol 183 unq 2 iso 0 dist 8.39603 10.0544 8.97652 8.22495 5.77399 8.29364 numMergedOcc 0
18 mol 187 unq 0 iso 0 dist 9.383 6.06679 5.58167 9.5198 11.6883 8.0501 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 9.46859 6.34597 9.47321 14.1017 10.4321 9.95686 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 8.27545 4.2039 6.2016 10.7431 6.63296 8.3453 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 8.57691 7.3667 8.4208 10.9371 5.50813 6.28935 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 8.82741 7.50159 4.64178 12.9664 4.56434 8.78924 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 8.82741 14.8655 9.16988 12.9664 4.56434 7.70472 numMergedOcc 0
24 mol 243 unq 2 iso 0 dist 4.88105 4.7112 4.64178 8.51186 4.56434 8.78924 numMergedOcc 0
25 mol 243 unq 3 iso 0 dist 4.88105 9.56957 9.16988 8.51186 4.56434 7.70472 numMergedOcc 0
26 mol 243 unq 4 iso 0 dist 9.44057 8.85604 4.64178 10.929 4.56434 8.78924 numMergedOcc 0
27 mol 243 unq 5 iso 0 dist 9.44057 6.36228 9.16988 10.929 4.56434 7.70472 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 5.86702 5.31174 7.25618 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 5.86702 4.69752 7.25618 7.87577 5.31174 8.10903 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 8.65743 5.36882 9.62494 10.3532 5.40028 9.0836 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 8.19366 7.19125 4.75349 15.6916 8.81755 8.94206 numMergedOcc 0
