HMDB0011716 RDKit 3D N-Acetylvanilalanine 33 33 0 0 0 0 0 0 0 0999 V2000 -4.0407 1.8853 1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9981 0.5501 0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 -0.1098 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7001 0.4923 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6128 -0.0792 -0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 0.5107 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 -0.5285 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 0.0118 -0.3823 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 0.5398 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2668 2.0691 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4508 0.0558 -0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -1.7272 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 -2.8174 0.2493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 -1.6746 1.2664 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 -1.3300 -0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9953 -2.0199 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -1.3920 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2418 -2.0628 -0.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 2.1244 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9266 2.3674 0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 2.4372 0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5524 1.5073 0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8771 1.0820 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.2052 -1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -1.0055 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 -1.2666 -0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 2.1535 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 2.5410 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 2.5386 -0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8552 -1.4904 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 -1.7903 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 -3.0175 -1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0366 -1.7599 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 7 12 1 0 12 13 2 0 12 14 1 0 5 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 3 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 18 33 1 0 M END