HMDB0256387 RDKit 3D Phenacetin 26 26 0 0 0 0 0 0 0 0999 V2000 5.0708 -0.3138 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -0.5890 0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 0.3786 -0.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4176 0.2172 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5605 1.1310 -0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 1.0197 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 -0.0018 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7248 -0.1767 0.4655 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7408 0.6524 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1966 0.3725 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5943 1.6702 -0.7449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -0.9317 0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8714 -0.7966 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2124 0.7624 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4106 -0.9787 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6942 -0.5867 0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3546 -1.5700 -0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 -0.6052 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9058 1.9594 -1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4447 1.7529 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -0.9969 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2004 -0.3269 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6785 1.3156 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6772 -0.1075 -0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 -1.7214 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 -1.5289 1.0591 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 2 0 5 6 1 0 6 7 2 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 13 4 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 5 19 1 0 6 20 1 0 8 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 M END