0 mol 113 unq 0 iso 0 dist 8.50734 7.92498 14.4003 6.61697 10.3017 7.1034 numMergedOcc 0
1 mol 141 unq 0 iso 0 dist 6.47392 8.47476 10.5086 5.96324 7.37196 12.4943 numMergedOcc 0
2 mol 141 unq 1 iso 0 dist 6.47392 8.47476 10.5086 9.22913 9.51547 6 numMergedOcc 0
3 mol 141 unq 2 iso 0 dist 6.47392 6.74947 8.78038 5.96324 7.37196 5.51254 numMergedOcc 0
4 mol 141 unq 3 iso 0 dist 6.47392 6.74947 8.78038 9.22913 9.51547 14.501 numMergedOcc 0
5 mol 142 unq 0 iso 0 dist 9.02319 7.99533 12.6682 8.40522 10.5548 9.848 numMergedOcc 0
6 mol 169 unq 0 iso 0 dist 7.642 8.11268 11.2473 6.85177 6.5732 7.16323 numMergedOcc 0
7 mol 169 unq 1 iso 0 dist 7.642 8.11268 11.2473 8.88729 4.14139 11.9514 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 5.97162 9.51189 6.59916 9.6283 11.5773 14.4211 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 6.38821 8.90607 4.55153 7.54599 5.99674 5.27237 numMergedOcc 0
10 mol 206 unq 1 iso 0 dist 5.98212 8.90607 6.70754 7.54599 7.16342 5.27237 numMergedOcc 0
11 mol 206 unq 2 iso 0 dist 7.16312 8.90607 5.97851 7.54599 9.09161 5.27237 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 9.6288 5.36841 7.13157 6.10062 4.03069 3.95362 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 8.81381 9.70007 5.8014 9.33393 9.53374 4.51296 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 7.5129 7.90537 11.113 5.33881 4.38276 9.04755 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 9.1299 8.35178 8.5724 8.27196 7.52677 9.94473 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 9.1299 8.35178 8.5724 8.27196 7.52677 9.94473 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 9.1299 8.35178 8.5724 8.27196 7.52677 9.94473 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 6.18484 9.05047 6.40429 8.49016 3.88947 3.78898 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 6.18484 7.24072 4.34283 8.49016 3.88947 4.41063 numMergedOcc 0
20 mol 292 unq 2 iso 0 dist 6.59906 7.60019 12.2904 8.06614 10.8521 5.33412 numMergedOcc 0
21 mol 292 unq 3 iso 0 dist 7.1839 7.60019 4.49811 8.06614 4.34603 5.33412 numMergedOcc 0
