0 mol 1 unq 0 iso 0 dist 7.68779 6.41817 11.8728 5.96722 6.4181 12.3167 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.41745 7.4036 10.9547 4.13477 7.8865 10.451 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.44693 9.63181 7.77965 8.28579 7.11633 13.9457 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 12.1626 9.7522 8.99751 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.61029 9.34599 10.797 7.53125 9.7522 8.99751 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 9.61029 6.32127 10.9837 7.53125 9.7522 9.44507 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 7.16036 9.52676 4.55437 11.0716 9.96265 12.7039 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 7.16036 9.52676 4.55437 7.93542 9.70459 13.31 numMergedOcc 0
8 mol 44 unq 2 iso 0 dist 7.16036 9.52676 4.55437 4.61354 7.78905 10.53 numMergedOcc 0
9 mol 44 unq 3 iso 0 dist 7.16036 9.52676 4.55437 6.03595 9.44909 9.45566 numMergedOcc 0
10 mol 46 unq 0 iso 0 dist 8.2513 6.19084 12.8683 10.0786 9.77553 15.0422 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 8.88887 5.97635 4.38047 numMergedOcc 0
12 mol 65 unq 0 iso 0 dist 9.9997 9.68286 5.51708 4.98203 8.76461 5.83149 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.28737 6.25276 4.3931 5.37389 8.58841 7.75211 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 7.63658 6.73172 5.76986 6.50047 7.53905 5.42828 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 7.65229 6.73172 5.39346 6.50047 7.15985 5.42828 numMergedOcc 0
16 mol 123 unq 0 iso 0 dist 9.26057 9.47346 9.02568 9.59867 8.67193 15.5283 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 11.524 9.90531 17.1417 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 9.05666 7.35424 14.8459 11.524 9.90531 18.5257 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 6.60651 6.67699 8.50224 4.73252 6.25429 10.2292 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 5.03278 5.89502 9.9605 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 5.76077 7.06589 5.78064 4.58695 7.15815 9.69704 numMergedOcc 0
22 mol 253 unq 2 iso 0 dist 7.0247 8.70383 5.78064 12.6079 5.89502 9.9605 numMergedOcc 0
23 mol 253 unq 3 iso 0 dist 7.0247 8.70383 5.78064 11.088 7.15815 9.69704 numMergedOcc 0
24 mol 293 unq 0 iso 0 dist 8.90008 8.60282 5.46037 12.4441 6.27435 10.3481 numMergedOcc 0
