0 mol 16 unq 0 iso 0 dist 5.84479 5.35079 6.31718 5.1298 5.47769 6.2983 9.57392 5.45161 8.33883 5.77753 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.514 11.8037 7.4729 5.02124 5.81965 6.99832 15.7233 10.7572 4.98104 11.3299 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 9.10229 8.17186 7.36792 6.83631 9.94856 5.498 14.2643 6.42572 9.01767 11.9326 numMergedOcc 0
3 mol 102 unq 1 iso 0 dist 9.10229 8.17186 7.36792 6.83631 9.94856 5.498 10.1221 5.54551 9.80678 9.50209 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 7.70533 14.3476 7.90328 12.4058 6.62561 4.91401 12.9519 10.4589 9.85576 12.907 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 9.54928 7.01529 6.06638 13.0595 7.75534 7.01257 14.0431 9.07346 9.06961 11.7153 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 10.5988 9.13561 5.99333 11.1224 13.2491 8.89982 14.5136 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 7.30021 12.865 9.83699 10.3893 6.27641 4.53931 15.865 9.27577 9.16591 8.57453 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 9.16591 9.27577 9.83699 4.95416 7.55203 6.29785 15.865 12.865 7.30021 11.6317 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.31105 14.6296 9.23153 12.3402 6.84247 6.7067 9.58724 4.90657 9.8711 10.4686 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 7.31105 14.6296 9.23153 7.84277 6.99002 15.9568 9.58724 4.90657 9.8711 10.0817 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 6.56437 14.2632 8.95269 11.7838 7.06793 9.36098 5.90784 5.41021 9.33771 10.8214 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 6.56437 14.2632 8.95269 10.4999 6.67585 5.29877 5.90784 5.41021 9.33771 6.4508 numMergedOcc 0
13 mol 224 unq 2 iso 0 dist 6.23882 15.0038 8.95269 9.57742 7.06793 9.36098 9.97504 5.41021 9.33771 10.8214 numMergedOcc 0
14 mol 224 unq 3 iso 0 dist 6.23882 15.0038 8.95269 12.0368 6.67585 5.29877 9.97504 5.41021 9.33771 6.4508 numMergedOcc 0
15 mol 224 unq 4 iso 0 dist 9.53131 9.59595 8.95269 8.30442 7.06793 9.36098 8.50322 5.41021 9.33771 10.8214 numMergedOcc 0
16 mol 224 unq 5 iso 0 dist 9.53131 9.59595 8.95269 4.63666 6.67585 5.29877 8.50322 5.41021 9.33771 6.4508 numMergedOcc 0
17 mol 224 unq 6 iso 0 dist 9.34636 5.63485 8.95269 5.46434 7.06793 9.36098 11.1636 5.41021 9.33771 10.8214 numMergedOcc 0
18 mol 224 unq 7 iso 0 dist 9.34636 5.63485 8.95269 5.03449 6.67585 5.29877 11.1636 5.41021 9.33771 6.4508 numMergedOcc 0
19 mol 224 unq 8 iso 0 dist 9.33771 5.41021 8.95269 11.498 6.87664 7.98696 5.90784 14.2632 6.56437 14.4755 numMergedOcc 0
20 mol 224 unq 9 iso 0 dist 9.33771 5.41021 8.95269 11.498 6.87664 7.98696 9.97504 15.0038 6.23882 12.5784 numMergedOcc 0
21 mol 224 unq 10 iso 0 dist 9.33771 5.41021 8.95269 11.498 6.87664 7.98696 8.50322 9.59595 9.53131 13.7859 numMergedOcc 0
22 mol 224 unq 11 iso 0 dist 9.33771 5.41021 8.95269 11.498 6.87664 7.98696 11.1636 5.63485 9.34636 8.60781 numMergedOcc 0
23 mol 224 unq 12 iso 0 dist 9.33771 4.91322 6.57273 11.498 6.87664 7.12232 11.1636 5.63485 9.79616 8.60781 numMergedOcc 0
24 mol 224 unq 13 iso 0 dist 9.33771 12.979 5.78342 11.498 6.87664 5.3621 12.5889 4.8786 9.29703 11.0076 numMergedOcc 0
25 mol 224 unq 14 iso 0 dist 9.79616 5.63485 6.57273 5.03449 6.65984 5.29877 11.1636 4.91322 9.33771 6.4508 numMergedOcc 0
26 mol 224 unq 15 iso 0 dist 9.79616 9.36962 6.60589 5.03449 6.65984 6.12232 11.1636 4.91322 7.39839 6.4508 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.75174 13.477 6.57393 5.1967 6.91569 10.9761 18.6237 10.8336 6.83152 16.8927 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 6.83152 10.8336 6.57393 6.03021 5.38637 6.20606 18.6237 13.477 9.75174 12.9258 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 9.58006 11.8501 7.46176 15.1483 7.48005 5.79468 18.6151 14.8465 7.93997 9.27954 numMergedOcc 0
