0 mol 7 unq 0 iso 0 dist 9.19844 5.38502 7.5706 6.11915 6.04832 8.43473 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.19844 7.39982 6.28925 6.11915 6.04832 5.03847 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.19844 17.8838 8.70159 6.11915 6.04832 13.8829 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 9.80852 10.4893 8.07518 8.27744 5.64906 5.12703 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 9.51411 5.71629 8.07518 6.92283 5.64906 5.12703 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 9.07692 10.6695 5.61656 14.3817 8.28062 6.10646 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 9.07692 10.6695 5.61656 5.02236 6.90201 7.0381 numMergedOcc 0
7 mol 30 unq 2 iso 0 dist 9.07692 10.6381 8.67487 14.3817 8.28062 5.89021 numMergedOcc 0
8 mol 30 unq 3 iso 0 dist 9.07692 10.6381 8.67487 5.02236 6.90201 5.85054 numMergedOcc 0
9 mol 30 unq 4 iso 0 dist 9.07692 6.40527 6.95343 14.3817 8.28062 10.7121 numMergedOcc 0
10 mol 30 unq 5 iso 0 dist 9.07692 6.40527 6.95343 5.02236 6.90201 4.94076 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 9.75003 16.7397 7.56581 13.5021 7.04671 6.4484 numMergedOcc 0
12 mol 54 unq 1 iso 0 dist 9.75003 17.2265 9.22021 13.5021 7.04671 9.96705 numMergedOcc 0
13 mol 54 unq 2 iso 0 dist 6.95846 11.9881 7.56581 13.0181 7.04671 6.4484 numMergedOcc 0
14 mol 54 unq 3 iso 0 dist 6.95846 10.3564 9.22021 13.0181 7.04671 9.96705 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 5.84829 10.9449 7.48658 12.1056 9.81484 8.70803 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 5.84829 10.9449 7.48658 9.18589 5.77527 9.52327 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 5.84829 10.9449 7.48658 5.90337 7.313 13.093 numMergedOcc 0
18 mol 92 unq 3 iso 0 dist 5.84829 5.51133 7.20279 12.1056 9.81484 7.52639 numMergedOcc 0
19 mol 92 unq 4 iso 0 dist 5.84829 5.51133 7.20279 9.18589 5.77527 7.34683 numMergedOcc 0
20 mol 92 unq 5 iso 0 dist 5.84829 5.51133 7.20279 5.90337 7.313 5.96752 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 5.80662 5.26273 6.05583 11.4461 6.66076 11.9775 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.59434 5.96451 6.95549 10.757 7.41985 5.74662 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 8.09125 13.2027 6.95549 9.51264 7.41985 5.74662 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 8.65631 12.8467 7.61316 10.3882 7.12765 6.61274 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 8.65631 12.8467 7.61316 6.38935 5.67863 10.286 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 8.65631 12.8467 7.61316 14.6792 9.42308 15.0555 numMergedOcc 0
27 mol 230 unq 0 iso 0 dist 7.63624 6.87235 5.31963 5.50843 9.05585 5.0515 numMergedOcc 0
28 mol 230 unq 1 iso 0 dist 7.63624 5.4427 7.85632 5.50843 9.05585 6.47822 numMergedOcc 0
29 mol 230 unq 2 iso 0 dist 9.95611 9.94041 5.31963 9.7541 9.05585 5.0515 numMergedOcc 0
30 mol 230 unq 3 iso 0 dist 9.95611 5.52842 7.85632 9.7541 9.05585 6.47822 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 9.71144 4.74041 7.72403 16.0222 9.38888 13.8349 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 9.71144 6.16697 6.35438 16.0222 9.38888 10.0059 numMergedOcc 0
33 mol 234 unq 2 iso 0 dist 9.71144 16.1011 9.57132 16.0222 9.38888 5.08515 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 7.84904 5.29737 5.45139 13.0625 6.85567 11.169 numMergedOcc 0
35 mol 239 unq 1 iso 0 dist 7.84904 15.9383 8.10769 13.0625 6.85567 6.34419 numMergedOcc 0
36 mol 244 unq 0 iso 0 dist 7.76796 6.51077 7.27258 4.82733 7.34165 5.32505 numMergedOcc 0
37 mol 244 unq 1 iso 0 dist 7.76796 6.51077 7.27258 14.2967 6.61951 12.4021 numMergedOcc 0
38 mol 244 unq 2 iso 0 dist 7.76796 11.9809 5.29811 4.82733 7.34165 10.5501 numMergedOcc 0
39 mol 244 unq 3 iso 0 dist 7.76796 11.9809 5.29811 14.2967 6.61951 5.17744 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 6.5266 9.07441 9.72168 10.7996 6.65749 11.578 numMergedOcc 0
41 mol 256 unq 1 iso 0 dist 6.5266 9.07441 9.72168 6.82173 4.73652 7.7384 numMergedOcc 0
42 mol 273 unq 0 iso 0 dist 7.14243 7.52275 9.82018 5.62662 6.83684 4.60101 numMergedOcc 0
