HMDB0015503 RDKit 3D Antipyrine 26 27 0 0 0 0 0 0 0 0999 V2000 3.7703 0.1437 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 0.4183 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1223 1.2746 -1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7443 1.2304 -1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 1.8678 -2.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2378 0.3787 -0.4094 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 0.1063 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9494 -0.2290 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2942 -0.4912 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9019 -0.4319 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -0.1032 1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7966 0.1549 0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2596 -0.1010 0.2884 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1366 -1.0431 1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0446 0.8655 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8896 -0.8833 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 0.2620 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 1.8656 -1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4511 -0.2691 -2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9135 -0.7500 -2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9616 -0.6440 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6353 -0.0618 2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 0.4112 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 -1.5697 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3906 -1.8368 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -0.5647 2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 6 13 1 0 13 14 1 0 13 2 1 0 12 7 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 8 19 1 0 9 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 14 24 1 0 14 25 1 0 14 26 1 0 M END