0 mol 7 unq 0 iso 0 dist 9.58865 7.32392 8.54694 10.4879 16.2694 9.85726 15.5277 13.7966 9.60499 11.5784 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.46837 6.84569 6.43294 9.57729 9.57392 8.67719 5.46269 9.79958 5.46498 6.53177 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.39015 8.44515 10.4263 11.6592 17.114 7.49054 6.1985 12.6828 5.83409 5.49044 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 7.73836 9.84673 6.42572 12.6508 14.2643 9.10229 5.09542 9.01767 7.36792 8.17186 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.2046 7.51061 10.6667 5.07258 9.0224 8.21889 5.29855 13.1633 7.34473 5.5332 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.30003 7.0318 10.4589 10.7285 12.9519 7.70533 8.12649 12.1493 9.84395 6.29427 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 8.30003 7.0318 10.4589 10.7285 12.9519 7.70533 5.21051 9.85576 7.90328 14.3476 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 9.64304 6.03557 9.19339 7.09758 15.4084 8.84867 5.14495 14.6763 8.62381 5.41246 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.40608 6.24392 7.01529 5.28929 14.0431 9.06961 5.50061 9.54928 6.06638 9.07346 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 9.04176 9.68507 4.08699 4.87536 8.24004 6.71202 9.75709 10.543 7.66148 5.70205 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 9.41152 7.98018 4.7382 5.21836 9.61678 9.16591 4.68187 12.6493 9.83699 9.27577 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 9.98645 9.58724 7.31105 5.1021 9.8711 9.23153 14.6296 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 8.58709 6.21273 4.90657 9.98645 9.58724 7.31105 6.29601 12.6756 8.24498 9.52692 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 13.9782 18.5355 9.33771 14.1073 20.6047 8.95269 5.41021 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 8.68767 9.73411 14.3302 13.9782 18.5355 9.33771 9.81806 15.9877 6.57273 4.91322 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 8.68767 9.73411 14.3302 13.9782 18.5355 9.33771 5.99647 12.7282 5.78342 12.979 numMergedOcc 0
16 mol 224 unq 3 iso 0 dist 7.7163 7.07564 5.63485 14.788 11.1636 9.33771 11.8217 9.34636 8.95269 5.41021 numMergedOcc 0
17 mol 224 unq 4 iso 0 dist 7.7163 7.07564 5.63485 14.788 11.1636 9.33771 10.8463 9.79616 6.57273 4.91322 numMergedOcc 0
18 mol 224 unq 5 iso 0 dist 7.7163 7.07564 5.63485 14.788 11.1636 9.33771 5.44863 10.0081 5.78342 12.979 numMergedOcc 0
19 mol 224 unq 6 iso 0 dist 9.2 7.07564 4.8786 14.788 12.5889 9.33771 11.8217 12.8171 8.95269 5.41021 numMergedOcc 0
20 mol 224 unq 7 iso 0 dist 9.2 7.07564 4.8786 14.788 12.5889 9.33771 10.8463 11.1052 6.57273 4.91322 numMergedOcc 0
21 mol 224 unq 8 iso 0 dist 9.2 7.07564 4.8786 14.788 12.5889 9.33771 5.44863 9.29703 5.78342 12.979 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 5.00735 5.62804 7.07028 5.24985 10.1534 8.49299 6.33989 8.43766 6.7547 6.9602 numMergedOcc 0
23 mol 230 unq 1 iso 0 dist 6.73755 5.62804 5.26217 5.24985 11.3498 8.49299 6.33989 10.6474 6.7547 6.9602 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 6.73226 8.91036 11.548 14.3729 18.6746 7.79865 10.613 16.203 7.37839 5.3251 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 9.56414 9.95681 4.50761 11.6193 9.50269 9.62828 5.79827 10.2386 8.02547 10.5691 numMergedOcc 0
