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R11301/amons-vitd/g9/frag_48_c00001.sdf
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frag_48_c00001.sdf
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RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
1.2471 1.1845 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5247 0.3718 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1748 0.1783 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6380 1.1326 1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1850 0.7854 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2985 0.1921 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9150 0.0060 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4997 -0.3127 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3271 1.4702 2.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2933 -0.7520 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4316 1.9216 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9400 1.7140 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2993 -0.5031 1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0738 -0.5858 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4827 0.4476 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9958 1.9967 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2431 1.7002 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2871 0.6094 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
2 4 1 0
3 5 1 0
5 6 2 3
1 11 1 0
1 12 1 0
2 7 1 0
2 13 1 0
3 8 1 0
3 14 1 0
4 9 1 0
4 15 1 0
4 16 1 0
5 17 1 0
6 10 1 0
6 18 1 0
M END
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