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R11301/amons-vitd/g9/i-raw/frag_44_c00008_raw.sdf
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frag_44_c00008_raw.sdf
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RDKit 3D
20 19 0 0 0 0 0 0 0 0999 V2000
1.2287 1.2867 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4804 0.4095 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2181 0.1800 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3933 2.2852 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6419 1.0789 1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1749 2.3379 -1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8229 0.0562 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5449 -0.2659 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2575 2.0329 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5625 3.3008 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3366 1.3901 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3241 1.6047 -2.6207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1359 3.3180 -2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9339 1.8387 1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0885 -0.4651 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 -0.5967 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7844 0.5890 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5056 0.4100 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9591 1.9771 0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 2.1284 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 0
2 5 1 0
4 6 1 0
1 14 1 0
2 7 1 0
2 15 1 0
3 8 1 0
3 16 1 0
3 17 1 0
4 9 1 0
4 10 1 0
5 11 1 0
5 18 1 0
5 19 1 0
6 12 1 0
6 13 1 0
6 20 1 0
M END
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