Diffusion MOLEKUEHL (master) Browse

R11301/amons-qm9/frag_05_c00001.sdf
83ee1e954e70master

frag_05_c00001.sdf
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			none
			RDKit 3D

			5 4 0 0 0 0 0 0 0 0999 V2000
			3.7049 2.1908 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
			4.8322 1.8183 -0.5092 O 0 0 0 0 0 0 0 0 0 0 0 0
			3.3926 3.4374 0.1603 O 0 0 0 0 0 0 0 0 0 0 0 0
			2.8076 1.5547 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
			2.4360 3.5385 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
			1 2 2 0
			1 3 1 0
			1 4 1 0
			3 5 1 0
			M END