0 mol 9 unq 0 iso 0 dist 6.3716 5.18338 6.22406 5.41626 10.0677 8.30653 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 5.97521 9.10473 7.69713 13.7275 9.84743 7.52933 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 5.97521 9.20827 5.41737 13.7275 9.84743 8.23761 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.14324 9.23033 9.05723 6.6796 9.89546 6.6263 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.14324 9.23033 9.05723 10.2523 14.792 6.75943 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 7.92196 9.31516 3.9531 14.9509 10.0183 7.28228 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.23087 6.37273 5.69088 8.66168 9.18809 9.8703 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 9.23087 6.37273 5.69088 7.1369 12.8321 7.39665 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.00779 5.79157 7.31451 5.72472 10.3686 8.72682 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.00779 7.91605 8.97954 6.71593 5.62694 5.5087 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.00779 7.91605 8.97954 5.72472 10.3686 5.61588 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 6.00779 6.43707 5.33414 6.71593 5.62694 6.08682 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 6.00779 6.43707 5.33414 5.72472 10.3686 7.83244 numMergedOcc 0
13 mol 89 unq 0 iso 0 dist 8.49775 8.68698 7.14191 10.5385 10.5106 6.53308 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.07119 9.63281 4.13685 3.97609 8.10448 8.28795 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 7.33646 9.17001 5.83338 11.1351 8.17522 7.79505 numMergedOcc 0
16 mol 127 unq 1 iso 0 dist 7.33646 9.17001 5.83338 6.08871 8.14341 7.36199 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 6.65093 8.38773 6.08582 10.0509 7.68645 4.33238 numMergedOcc 0
18 mol 219 unq 1 iso 0 dist 6.65093 8.38773 6.08582 5.48556 5.75017 7.83604 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 6.16787 5.07975 7.49727 5.66819 10.8618 5.56538 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 6.16787 4.85015 7.29061 5.66819 10.8618 7.48954 numMergedOcc 0
