0 mol 20 unq 0 iso 0 dist 7.51452 16.5895 9.20198 7.79943 6.19906 12.0619 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 9.20198 16.5895 7.51452 12.0619 6.19906 7.79943 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 5.78706 7.51619 7.23884 11.6864 9.07676 4.85557 numMergedOcc 0
3 mol 98 unq 0 iso 1 dist 7.23884 7.51619 5.78706 4.85557 9.07676 11.6864 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.78706 10.6225 5.59328 11.6864 9.07676 11.7112 numMergedOcc 0
5 mol 98 unq 1 iso 1 dist 5.59328 10.6225 5.78706 11.7112 9.07676 11.6864 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.78706 12.7411 7.5242 11.6864 9.07676 6.63199 numMergedOcc 0
7 mol 98 unq 2 iso 1 dist 7.5242 12.7411 5.78706 6.63199 9.07676 11.6864 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.23884 11.4338 5.59328 4.85557 9.07676 11.7112 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 5.59328 11.4338 7.23884 11.7112 9.07676 4.85557 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 7.23884 9.30161 7.5242 4.85557 9.07676 6.63199 numMergedOcc 0
11 mol 98 unq 2 iso 1 dist 7.5242 9.30161 7.23884 6.63199 9.07676 4.85557 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 5.59328 7.72877 7.5242 11.7112 9.07676 6.63199 numMergedOcc 0
13 mol 98 unq 2 iso 1 dist 7.5242 7.72877 5.59328 6.63199 9.07676 11.7112 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.01812 5.88134 8.30845 8.77492 8.4705 12.2171 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 8.30845 5.88134 7.01812 12.2171 8.4705 8.77492 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.11344 4.85907 6.52773 4.55137 7.84768 6.42493 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 6.52773 4.85907 9.11344 6.42493 7.84768 4.55137 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.83771 5.79898 7.80532 6.70411 7.01507 10.7371 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 7.80532 5.79898 5.83771 10.7371 7.01507 6.70411 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.91993 5.99954 9.99156 6.55924 9.87021 11.3247 numMergedOcc 0
21 mol 148 unq 0 iso 1 dist 9.99156 5.99954 9.91993 11.3247 9.87021 6.55924 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 6.22055 5.99954 8.18085 6.55924 7.34023 11.3247 numMergedOcc 0
23 mol 148 unq 1 iso 1 dist 8.18085 5.99954 6.22055 11.3247 7.34023 6.55924 numMergedOcc 0
24 mol 150 unq 0 iso 0 dist 9.96691 5.93095 9.8656 6.62435 9.96938 11.3177 numMergedOcc 0
25 mol 150 unq 0 iso 1 dist 9.8656 5.93095 9.96691 11.3177 9.96938 6.62435 numMergedOcc 0
26 mol 150 unq 1 iso 0 dist 6.14675 5.93095 7.94889 6.62435 7.35268 11.3177 numMergedOcc 0
27 mol 150 unq 1 iso 1 dist 7.94889 5.93095 6.14675 11.3177 7.35268 6.62435 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 6.64834 4.91149 5.93786 9.36244 6.73995 8.62666 numMergedOcc 0
29 mol 171 unq 0 iso 1 dist 5.93786 4.91149 6.64834 8.62666 6.73995 9.36244 numMergedOcc 0
30 mol 171 unq 1 iso 0 dist 6.64834 4.91149 5.93786 10.4353 8.619 12.3741 numMergedOcc 0
31 mol 171 unq 1 iso 1 dist 5.93786 4.91149 6.64834 12.3741 8.619 10.4353 numMergedOcc 0
32 mol 171 unq 2 iso 0 dist 6.64834 11.6409 8.24693 9.36244 6.73995 11.8746 numMergedOcc 0
33 mol 171 unq 2 iso 1 dist 8.24693 11.6409 6.64834 11.8746 6.73995 9.36244 numMergedOcc 0
34 mol 171 unq 3 iso 0 dist 6.64834 11.6409 8.24693 10.4353 8.619 16.3566 numMergedOcc 0
35 mol 171 unq 3 iso 1 dist 8.24693 11.6409 6.64834 16.3566 8.619 10.4353 numMergedOcc 0
36 mol 171 unq 4 iso 0 dist 6.64834 5.51687 7.36698 9.36244 6.73995 5.97455 numMergedOcc 0
37 mol 171 unq 4 iso 1 dist 7.36698 5.51687 6.64834 5.97455 6.73995 9.36244 numMergedOcc 0
38 mol 171 unq 5 iso 0 dist 6.64834 5.51687 7.36698 10.4353 8.619 5.92577 numMergedOcc 0
39 mol 171 unq 5 iso 1 dist 7.36698 5.51687 6.64834 5.92577 8.619 10.4353 numMergedOcc 0
40 mol 171 unq 2 iso 0 dist 5.93786 7.31409 8.24693 8.62666 6.73995 11.8746 numMergedOcc 0
41 mol 171 unq 2 iso 1 dist 8.24693 7.31409 5.93786 11.8746 6.73995 8.62666 numMergedOcc 0
42 mol 171 unq 3 iso 0 dist 5.93786 7.31409 8.24693 12.3741 8.619 16.3566 numMergedOcc 0
43 mol 171 unq 3 iso 1 dist 8.24693 7.31409 5.93786 16.3566 8.619 12.3741 numMergedOcc 0
44 mol 171 unq 4 iso 0 dist 5.93786 8.07119 7.36698 8.62666 6.73995 5.97455 numMergedOcc 0
45 mol 171 unq 4 iso 1 dist 7.36698 8.07119 5.93786 5.97455 6.73995 8.62666 numMergedOcc 0
46 mol 171 unq 5 iso 0 dist 5.93786 8.07119 7.36698 12.3741 8.619 5.92577 numMergedOcc 0
47 mol 171 unq 5 iso 1 dist 7.36698 8.07119 5.93786 5.92577 8.619 12.3741 numMergedOcc 0
48 mol 171 unq 4 iso 0 dist 8.24693 14.1033 7.36698 11.8746 6.73995 5.97455 numMergedOcc 0
49 mol 171 unq 4 iso 1 dist 7.36698 14.1033 8.24693 5.97455 6.73995 11.8746 numMergedOcc 0
50 mol 171 unq 5 iso 0 dist 8.24693 14.1033 7.36698 16.3566 8.619 5.92577 numMergedOcc 0
51 mol 171 unq 5 iso 1 dist 7.36698 14.1033 8.24693 5.92577 8.619 16.3566 numMergedOcc 0
52 mol 186 unq 0 iso 0 dist 7.76163 14.5862 8.73217 11.4746 7.81069 4.527 numMergedOcc 0
53 mol 186 unq 0 iso 1 dist 8.73217 14.5862 7.76163 4.527 7.81069 11.4746 numMergedOcc 0
54 mol 231 unq 0 iso 0 dist 6.98875 4.06055 6.54852 7.21554 9.97783 7.59269 numMergedOcc 0
55 mol 231 unq 0 iso 1 dist 6.54852 4.06055 6.98875 7.59269 9.97783 7.21554 numMergedOcc 0
56 mol 249 unq 0 iso 0 dist 5.48118 5.3927 7.25858 5.40456 6.72501 7.02235 numMergedOcc 0
57 mol 249 unq 0 iso 1 dist 7.25858 5.3927 5.48118 7.02235 6.72501 5.40456 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 8.52587 11.3308 6.39866 8.93097 9.71673 11.2327 numMergedOcc 0
59 mol 274 unq 0 iso 1 dist 6.39866 11.3308 8.52587 11.2327 9.71673 8.93097 numMergedOcc 0
