HMDB0040173 RDKit 3D Pentanenitrile 15 14 0 0 0 0 0 0 0 0999 V2000 -2.1936 -0.0788 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 0.4885 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 -0.3956 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 0.2999 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7095 -0.4743 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 -1.0875 1.0903 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2326 -0.8640 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 -0.5516 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 0.7360 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 0.6039 -1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 1.4982 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2924 -1.3804 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1473 -0.5298 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7515 0.4063 -0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5776 1.3291 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 3 0 1 7 1 0 1 8 1 0 1 9 1 0 2 10 1 0 2 11 1 0 3 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 M END