0 mol 26 unq 0 iso 0 dist 5.58467 9.15677 7.42841 6.71239 8.51396 14.1531 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 8.71965 7.06199 9.81959 13.4936 9.7641 14.6104 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 4.52881 7.16036 6.07691 8.23748 8.96839 10.4364 numMergedOcc 0
3 mol 66 unq 0 iso 0 dist 7.48714 8.04639 12.1542 6.5549 9.07446 11.8284 numMergedOcc 0
4 mol 66 unq 1 iso 0 dist 7.48714 7.69019 6.66235 6.5549 9.07446 12.9393 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 4.79868 7.95122 5.54966 9.56692 9.64018 13.0433 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 4.79868 7.95122 5.54966 4.85973 7.49737 9.57288 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 4.79868 9.74268 9.69588 9.56692 9.64018 16.3384 numMergedOcc 0
8 mol 70 unq 3 iso 0 dist 4.79868 9.74268 9.69588 4.85973 7.49737 10.0194 numMergedOcc 0
9 mol 89 unq 0 iso 0 dist 5.37527 8.89514 10.5385 5.49954 8.49775 10.5106 numMergedOcc 0
10 mol 153 unq 0 iso 0 dist 7.53192 9.79001 7.16014 4.06371 9.34431 13.4535 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 7.01007 8.50904 9.78176 8.66364 6.24096 14.9267 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 7.01007 7.04318 6.15969 8.66364 6.24096 10.2436 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 5.16184 6.31492 5.40949 7.7168 9.72584 11.7478 numMergedOcc 0
14 mol 182 unq 1 iso 0 dist 8.54162 7.8621 5.40949 10.8463 9.72584 11.7478 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.11273 8.08787 7.9704 9.04255 5.94087 12.3788 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.87835 7.19917 5.82028 16.8336 8.78286 13.451 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 4.58449 7.96424 10.7787 4.87397 8.81279 10.433 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 4.58449 5.40366 5.78532 4.87397 8.81279 9.79808 numMergedOcc 0
19 mol 220 unq 2 iso 0 dist 4.58449 8.93637 6.24624 4.87397 8.81279 12.785 numMergedOcc 0
20 mol 220 unq 3 iso 0 dist 7.03223 7.96424 10.48 4.87397 9.57951 10.433 numMergedOcc 0
21 mol 220 unq 4 iso 0 dist 7.03223 5.40366 5.23846 4.87397 9.57951 9.79808 numMergedOcc 0
22 mol 220 unq 5 iso 0 dist 7.03223 8.93637 6.02282 4.87397 9.57951 12.785 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 9.91243 7.14277 5.66819 11.6667 6.16787 10.8618 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 8.9569 7.26647 15.1428 7.35121 9.6169 13.8596 numMergedOcc 0
25 mol 261 unq 1 iso 0 dist 8.9569 7.7309 15.7709 7.35121 9.6169 12.1837 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 9.09556 5.81421 5.56416 12.6189 5.8374 10.6941 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 9.40138 7.70229 4.58403 11.3627 8.69145 10.4729 numMergedOcc 0
28 mol 282 unq 1 iso 0 dist 9.40138 7.90792 5.04235 11.3627 8.69145 12.7604 numMergedOcc 0
