0 mol 93 unq 0 iso 0 dist 5.77804 3.74136 7.85041 10.4641 8.58164 9.81831 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 5.77804 3.74136 7.85041 11.1217 9.67788 9.12858 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 5.77804 3.74136 7.85041 9.10877 5.33106 9.4523 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 9.02541 9.30538 9.41723 7.42431 7.59143 7.71107 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.70951 5.89251 5.85818 10.3424 7.36192 7.99857 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 9.70951 5.89251 5.85818 10.8195 10.6679 8.56342 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.02079 4.91324 5.38314 13.0881 9.16988 9.28592 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 7.9061 5.78019 5.1101 10.823 5.08802 5.49226 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 7.9061 5.78019 5.1101 9.23551 8.59354 6.28351 numMergedOcc 0
9 mol 147 unq 2 iso 0 dist 4.48898 5.78019 7.01133 10.823 10.1972 5.49226 numMergedOcc 0
10 mol 147 unq 3 iso 0 dist 4.48898 5.78019 7.01133 9.23551 8.54341 6.28351 numMergedOcc 0
11 mol 147 unq 4 iso 0 dist 6.36426 4.52246 5.1101 9.02521 5.08802 5.49226 numMergedOcc 0
12 mol 147 unq 5 iso 0 dist 6.36426 4.52246 5.1101 10.4004 8.59354 6.28351 numMergedOcc 0
13 mol 147 unq 6 iso 0 dist 7.06711 4.52246 7.01133 9.02521 10.1972 5.49226 numMergedOcc 0
14 mol 147 unq 7 iso 0 dist 7.06711 4.52246 7.01133 10.4004 8.54341 6.28351 numMergedOcc 0
15 mol 147 unq 8 iso 0 dist 7.6489 5.88056 5.1101 7.4653 5.08802 5.49226 numMergedOcc 0
16 mol 147 unq 9 iso 0 dist 7.6489 5.88056 5.1101 11.6819 8.59354 6.28351 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 7.08808 10.7514 7.04913 10.0709 5.07967 7.73169 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 7.63085 4.19444 6.39981 9.03632 6.63727 7.88319 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 7.06919 11.1891 7.01126 13.9833 11.1651 7.35824 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 7.06919 5.28649 6.58434 13.9833 11.1651 9.17364 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 8.71031 6.72936 5.98771 7.14849 5.25267 4.92088 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 9.70674 10.0849 5.42696 13.1824 8.66809 8.44861 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 9.70674 10.0849 5.42696 6.04106 6.23291 5.60393 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 7.21089 9.53753 5.13453 13.1899 8.69249 6.6561 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 7.21089 6.64709 7.95883 11.8253 9.60485 9.18895 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.59305 8.22473 8.6597 5.99187 10.4664 5.64181 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 6.59305 8.22473 8.6597 9.93378 13.3539 7.61393 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 9.13022 13.402 7.61203 13.8812 11.6239 5.52379 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 9.2456 5.79235 7.94894 12.7988 9.8202 8.67805 numMergedOcc 0
30 mol 240 unq 0 iso 0 dist 8.3417 5.02268 5.66537 11.1225 13.9225 9.47583 numMergedOcc 0
31 mol 240 unq 1 iso 0 dist 8.3417 5.02268 5.66537 11.8977 12.076 8.44909 numMergedOcc 0
