0 mol 26 unq 0 iso 0 dist 8.4398 5.20647 13.0925 4.9737 11.2171 4.04528 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.4398 5.83051 10.5804 4.9737 11.2171 4.75209 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.4398 5.71245 6.24786 8.43523 6.09666 4.03003 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 7.24022 5.71245 6.21692 8.43523 9.19057 4.03003 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.79578 6.35249 12.6047 9.46449 7.03665 9.2388 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 9.53862 9.073 7.66565 8.44761 13.66 7.47006 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 9.53862 9.073 7.66565 6.81124 9.85739 4.02051 numMergedOcc 0
7 mol 68 unq 2 iso 0 dist 6.88001 9.073 5.16912 8.44761 8.51311 7.47006 numMergedOcc 0
8 mol 68 unq 3 iso 0 dist 6.88001 9.073 5.16912 6.81124 6.18534 4.02051 numMergedOcc 0
9 mol 70 unq 0 iso 0 dist 8.35292 9.2794 9.18888 6.13606 6.43145 4.12515 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39344 9.75708 12.4847 8.64736 13.8643 12.7681 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 7.45209 9.35364 13.5149 8.4204 5.04455 10.2414 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 9.17931 9.19569 4.31518 8.59976 10.0002 11.3012 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 9.17931 9.19569 4.31518 9.71763 9.06592 9.12553 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.51502 6.76781 10.7753 5.31279 12.3344 4.11297 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.28543 8.51112 11.4657 5.0778 7.18246 4.58275 numMergedOcc 0
16 mol 209 unq 0 iso 0 dist 5.10408 7.18 6.24493 8.3505 6.45206 9.86077 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 5.28576 9.31677 8.63134 9.84017 5.92063 13.393 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 9.08448 6.91126 9.49863 4.46919 6.99274 3.93066 numMergedOcc 0
19 mol 235 unq 1 iso 0 dist 9.08448 9.48967 18.5642 4.46919 6.99274 13.0408 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 6.05376 5.41373 4.64969 6.65465 6.58488 5.62227 numMergedOcc 0
