0 mol 15 unq 0 iso 0 dist 6.88546 5.63041 5.89412 13.452 7.07399 11.0528 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 6.88546 13.452 7.07399 5.63041 5.89412 11.0528 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.36911 6.05535 6.72833 5.72175 6.93532 10.4852 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 5.36911 5.72175 6.93532 6.05535 6.72833 10.4852 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.3964 14.959 8.4051 7.79468 7.29868 15.5315 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 8.3964 7.79468 7.29868 14.959 8.4051 15.5315 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.3964 14.959 8.4051 9.85198 8.60554 14.6259 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 8.3964 9.85198 8.60554 14.959 8.4051 14.6259 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.3964 7.79468 7.29868 9.85198 8.60554 10.0952 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 8.3964 9.85198 8.60554 7.79468 7.29868 10.0952 numMergedOcc 0
10 mol 65 unq 0 iso 0 dist 8.54555 10.2068 6.72639 5.38234 6.76508 5.48814 numMergedOcc 0
11 mol 65 unq 0 iso 1 dist 8.54555 5.38234 6.76508 10.2068 6.72639 5.48814 numMergedOcc 0
12 mol 65 unq 1 iso 0 dist 7.0386 5.05869 7.90294 10.2068 9.34791 14.4691 numMergedOcc 0
13 mol 65 unq 1 iso 1 dist 7.0386 10.2068 9.34791 5.05869 7.90294 14.4691 numMergedOcc 0
14 mol 65 unq 2 iso 0 dist 7.0386 5.05869 7.90294 5.38234 8.22785 10.2941 numMergedOcc 0
15 mol 65 unq 2 iso 1 dist 7.0386 5.38234 8.22785 5.05869 7.90294 10.2941 numMergedOcc 0
16 mol 65 unq 2 iso 0 dist 7.0386 10.2068 9.34791 5.38234 8.22785 5.48814 numMergedOcc 0
17 mol 65 unq 2 iso 1 dist 7.0386 5.38234 8.22785 10.2068 9.34791 5.48814 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 9.04728 3.85308 7.54568 9.77828 9.39864 10.1164 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 9.04728 9.77828 9.39864 3.85308 7.54568 10.1164 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 6.56978 13.2001 7.80975 6.23541 7.10378 10.8586 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 6.56978 6.23541 7.10378 13.2001 7.80975 10.8586 numMergedOcc 0
22 mol 101 unq 0 iso 0 dist 7.73086 4.51951 6.98314 5.82598 7.61685 6.69637 numMergedOcc 0
23 mol 101 unq 0 iso 1 dist 7.73086 5.82598 7.61685 4.51951 6.98314 6.69637 numMergedOcc 0
24 mol 125 unq 0 iso 0 dist 7.00113 5.759 8.76789 6.06241 7.73435 5.20403 numMergedOcc 0
25 mol 125 unq 0 iso 1 dist 7.00113 6.06241 7.73435 5.759 8.76789 5.20403 numMergedOcc 0
26 mol 125 unq 1 iso 0 dist 9.85979 5.759 9.08382 6.06241 9.3778 5.20403 numMergedOcc 0
27 mol 125 unq 1 iso 1 dist 9.85979 6.06241 9.3778 5.759 9.08382 5.20403 numMergedOcc 0
28 mol 125 unq 2 iso 0 dist 9.85979 5.759 9.08382 13.5623 7.47069 9.34412 numMergedOcc 0
29 mol 125 unq 2 iso 1 dist 9.85979 13.5623 7.47069 5.759 9.08382 9.34412 numMergedOcc 0
30 mol 125 unq 2 iso 0 dist 9.85979 6.06241 9.3778 13.5623 7.47069 11.8325 numMergedOcc 0
31 mol 125 unq 2 iso 1 dist 9.85979 13.5623 7.47069 6.06241 9.3778 11.8325 numMergedOcc 0
32 mol 148 unq 0 iso 0 dist 6.86997 9.70656 9.91993 5.77745 9.99156 5.99954 numMergedOcc 0
33 mol 148 unq 0 iso 1 dist 6.86997 5.77745 9.99156 9.70656 9.91993 5.99954 numMergedOcc 0
34 mol 148 unq 1 iso 0 dist 7.46919 9.70656 6.22055 5.77745 8.18085 5.99954 numMergedOcc 0
35 mol 148 unq 1 iso 1 dist 7.46919 5.77745 8.18085 9.70656 6.22055 5.99954 numMergedOcc 0
36 mol 150 unq 0 iso 0 dist 6.79381 9.69704 9.96691 5.71213 9.8656 5.93095 numMergedOcc 0
37 mol 150 unq 0 iso 1 dist 6.79381 5.71213 9.8656 9.69704 9.96691 5.93095 numMergedOcc 0
38 mol 150 unq 1 iso 0 dist 7.36989 9.69704 6.14675 5.71213 7.94889 5.93095 numMergedOcc 0
39 mol 150 unq 1 iso 1 dist 7.36989 5.71213 7.94889 9.69704 6.14675 5.93095 numMergedOcc 0
40 mol 171 unq 0 iso 0 dist 6.4751 8.67611 6.64834 9.28655 5.93786 4.91149 numMergedOcc 0
41 mol 171 unq 0 iso 1 dist 6.4751 9.28655 5.93786 8.67611 6.64834 4.91149 numMergedOcc 0
42 mol 171 unq 1 iso 0 dist 6.4751 8.67611 6.64834 10.4021 8.24693 11.6409 numMergedOcc 0
43 mol 171 unq 1 iso 1 dist 6.4751 10.4021 8.24693 8.67611 6.64834 11.6409 numMergedOcc 0
44 mol 171 unq 2 iso 0 dist 6.4751 8.67611 6.64834 11.8046 7.36698 5.51687 numMergedOcc 0
45 mol 171 unq 2 iso 1 dist 6.4751 11.8046 7.36698 8.67611 6.64834 5.51687 numMergedOcc 0
46 mol 171 unq 1 iso 0 dist 6.4751 9.28655 5.93786 10.4021 8.24693 7.31409 numMergedOcc 0
47 mol 171 unq 1 iso 1 dist 6.4751 10.4021 8.24693 9.28655 5.93786 7.31409 numMergedOcc 0
48 mol 171 unq 2 iso 0 dist 6.4751 9.28655 5.93786 11.8046 7.36698 8.07119 numMergedOcc 0
49 mol 171 unq 2 iso 1 dist 6.4751 11.8046 7.36698 9.28655 5.93786 8.07119 numMergedOcc 0
50 mol 171 unq 2 iso 0 dist 6.4751 10.4021 8.24693 11.8046 7.36698 14.1033 numMergedOcc 0
51 mol 171 unq 2 iso 1 dist 6.4751 11.8046 7.36698 10.4021 8.24693 14.1033 numMergedOcc 0
52 mol 171 unq 3 iso 0 dist 5.75085 9.28655 8.1344 10.4021 6.71356 7.31409 numMergedOcc 0
53 mol 171 unq 3 iso 1 dist 5.75085 10.4021 6.71356 9.28655 8.1344 7.31409 numMergedOcc 0
54 mol 195 unq 0 iso 0 dist 9.25935 7.00308 7.36683 5.34788 9.26504 10.7531 numMergedOcc 0
55 mol 195 unq 0 iso 1 dist 9.25935 5.34788 9.26504 7.00308 7.36683 10.7531 numMergedOcc 0
56 mol 232 unq 0 iso 0 dist 8.27761 10.1991 8.50102 13.7819 9.40808 6.56633 numMergedOcc 0
57 mol 232 unq 0 iso 1 dist 8.27761 13.7819 9.40808 10.1991 8.50102 6.56633 numMergedOcc 0
58 mol 278 unq 0 iso 0 dist 9.73172 4.7203 8.00673 6.42903 6.62841 8.29447 numMergedOcc 0
59 mol 278 unq 0 iso 1 dist 9.73172 6.42903 6.62841 4.7203 8.00673 8.29447 numMergedOcc 0
