0 mol 76 unq 0 iso 0 dist 9.4022 7.5434 4.16711 7.19147 8.09199 5.91259 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 5.96486 8.9672 4.57548 5.65355 9.08307 9.48146 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 9.0455 6.65878 4.74644 5.56946 9.28278 8.00624 numMergedOcc 0
3 mol 129 unq 1 iso 0 dist 9.0455 6.65878 4.74644 6.10584 8.78082 8.42289 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 7.12336 9.73038 4.98521 5.37072 5.86531 9.47554 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 7.10223 8.65008 3.82471 5.5065 6.23399 6.36439 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 6.91762 8.02356 5.49557 5.01007 4.44292 8.57712 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 9.75249 5.96301 4.20708 5.73422 10.9212 8.50926 numMergedOcc 0
8 mol 163 unq 0 iso 0 dist 7.5447 9.24754 14.6044 4.12904 11.6021 8.32426 numMergedOcc 0
9 mol 163 unq 1 iso 0 dist 9.04757 9.24754 9.20952 4.12904 9.63873 8.32426 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.76722 5.60956 4.65845 6.59758 11.209 8.41715 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 9.76722 5.60956 4.65845 5.81821 12.2644 7.79893 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 9.82462 9.01553 7.38262 4.28574 10.1747 7.71517 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 8.39718 9.01553 3.90063 4.28574 7.1027 7.71517 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 9.56016 5.7065 13.6086 12.0971 20.7285 8.8978 numMergedOcc 0
15 mol 185 unq 1 iso 0 dist 9.56016 5.7065 13.6086 4.53126 13.8686 5.03193 numMergedOcc 0
16 mol 185 unq 2 iso 0 dist 7.92501 5.7065 9.4687 12.0971 17.6926 8.8978 numMergedOcc 0
17 mol 185 unq 3 iso 0 dist 7.92501 5.7065 9.4687 4.53126 11.0291 5.03193 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 8.97651 9.35664 11.0735 8.95444 15.1647 7.04524 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 9.718 5.70065 10.0806 3.84723 11.8313 6.13878 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 8.61629 5.70065 6.89532 3.84723 10.4825 6.13878 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 7.74693 8.01777 13.8942 6.52848 14.1896 7.41931 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.82564 5.83514 5.64173 5.65577 9.94315 4.80834 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 9.51177 5.83514 4.11566 5.65577 8.59074 4.80834 numMergedOcc 0
