0 mol 9 unq 0 iso 0 dist 7.47838 11.8617 7.2707 11.8438 8.33478 3.91893 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.47838 9.55673 8.99816 11.8438 8.33478 5.1623 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.47838 6.96891 5.96667 11.8438 8.33478 4.94281 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 8.07518 5.12703 5.64906 5.2214 6.80135 7.93342 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 8.07518 5.12703 5.64906 3.54576 5.48515 4.3591 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 5.61656 6.10646 8.28062 10.1603 6.64571 10.8038 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 5.61656 7.0381 6.90201 10.1603 6.64571 5.6849 numMergedOcc 0
7 mol 30 unq 2 iso 0 dist 8.67487 5.89021 8.28062 9.85708 6.64571 10.8038 numMergedOcc 0
8 mol 30 unq 3 iso 0 dist 8.67487 5.85054 6.90201 9.85708 6.64571 5.6849 numMergedOcc 0
9 mol 30 unq 4 iso 0 dist 6.95343 10.7121 8.28062 9.52037 6.64571 10.8038 numMergedOcc 0
10 mol 30 unq 5 iso 0 dist 6.95343 4.94076 6.90201 9.52037 6.64571 5.6849 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 7.48658 8.70803 9.81484 12.2908 8.38104 8.93569 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 7.48658 9.52327 5.77527 12.2908 8.38104 3.98877 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 7.48658 13.093 7.313 12.2908 8.38104 8.90513 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 7.20279 7.52639 9.81484 11.2746 8.38104 8.93569 numMergedOcc 0
15 mol 92 unq 4 iso 0 dist 7.20279 7.34683 5.77527 11.2746 8.38104 3.98877 numMergedOcc 0
16 mol 92 unq 5 iso 0 dist 7.20279 5.96752 7.313 11.2746 8.38104 8.90513 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 6.36868 9.275 8.20406 8.46965 7.31063 8.04307 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 4.90825 4.51687 5.80674 9.56884 9.28264 5.6074 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 5.52084 4.62682 5.80674 4.46135 9.28264 5.6074 numMergedOcc 0
20 mol 206 unq 2 iso 0 dist 6.29592 9.54789 7.17033 9.76121 5.05188 3.62998 numMergedOcc 0
21 mol 206 unq 3 iso 0 dist 6.29592 9.54789 7.17033 6.17923 7.28682 6.00161 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.25629 13.052 7.83637 4.46222 9.52588 12.6176 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 8.25629 13.052 7.83637 10.5702 7.97079 14.0734 numMergedOcc 0
24 mol 225 unq 2 iso 0 dist 8.25629 13.052 7.83637 9.70634 5.07766 12.192 numMergedOcc 0
25 mol 225 unq 3 iso 0 dist 9.31373 8.32583 7.83637 14.0758 9.52588 12.6176 numMergedOcc 0
26 mol 225 unq 4 iso 0 dist 9.31373 8.32583 7.83637 17.1785 7.97079 14.0734 numMergedOcc 0
27 mol 225 unq 5 iso 0 dist 9.31373 8.32583 7.83637 14.2198 5.07766 12.192 numMergedOcc 0
28 mol 225 unq 6 iso 0 dist 9.20561 9.16289 7.83637 16.1303 9.52588 12.6176 numMergedOcc 0
29 mol 225 unq 7 iso 0 dist 9.20561 9.16289 7.83637 9.76678 5.07766 12.192 numMergedOcc 0
30 mol 225 unq 8 iso 0 dist 9.20561 9.16289 7.83637 10.9201 7.97079 14.0734 numMergedOcc 0
31 mol 225 unq 9 iso 0 dist 9.88976 16.6675 7.83637 16.2008 9.52588 12.6176 numMergedOcc 0
32 mol 225 unq 10 iso 0 dist 9.88976 16.6675 7.83637 9.72811 5.07766 12.192 numMergedOcc 0
33 mol 225 unq 11 iso 0 dist 9.88976 16.6675 7.83637 12.9529 7.97079 14.0734 numMergedOcc 0
34 mol 237 unq 0 iso 0 dist 8.8949 10.6582 8.20201 7.00249 8.5384 5.18809 numMergedOcc 0
35 mol 237 unq 1 iso 0 dist 8.8949 13.3834 6.21939 7.00249 8.5384 9.41069 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 5.45139 11.169 6.85567 4.32238 5.4353 12.0915 numMergedOcc 0
37 mol 239 unq 1 iso 0 dist 8.10769 6.34419 6.85567 11.6161 5.4353 12.0915 numMergedOcc 0
38 mol 244 unq 0 iso 0 dist 7.27258 5.32505 7.34165 6.46076 9.13546 11.2616 numMergedOcc 0
39 mol 244 unq 1 iso 0 dist 7.27258 5.32505 7.34165 12.2903 8.16952 9.69994 numMergedOcc 0
40 mol 244 unq 2 iso 0 dist 7.27258 5.32505 7.34165 11.6293 7.58413 14.0851 numMergedOcc 0
41 mol 244 unq 3 iso 0 dist 7.27258 12.4021 6.61951 6.46076 9.13546 13.2473 numMergedOcc 0
42 mol 244 unq 4 iso 0 dist 7.27258 12.4021 6.61951 12.2903 8.16952 7.44401 numMergedOcc 0
43 mol 244 unq 5 iso 0 dist 7.27258 12.4021 6.61951 11.6293 7.58413 5.68434 numMergedOcc 0
44 mol 244 unq 6 iso 0 dist 5.29811 10.5501 7.34165 8.49798 9.13546 11.2616 numMergedOcc 0
45 mol 244 unq 7 iso 0 dist 5.29811 10.5501 7.34165 9.62231 8.16952 9.69994 numMergedOcc 0
46 mol 244 unq 8 iso 0 dist 5.29811 10.5501 7.34165 4.06591 7.58413 14.0851 numMergedOcc 0
47 mol 244 unq 9 iso 0 dist 5.29811 5.17744 6.61951 8.49798 9.13546 13.2473 numMergedOcc 0
48 mol 244 unq 10 iso 0 dist 5.29811 5.17744 6.61951 9.62231 8.16952 7.44401 numMergedOcc 0
49 mol 244 unq 11 iso 0 dist 5.29811 5.17744 6.61951 4.06591 7.58413 5.68434 numMergedOcc 0
