HMDB0014707 RDKit 3D Cephalexin 41 43 0 0 0 0 0 0 0 0999 V2000 -5.2025 0.4699 1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9473 0.0649 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6848 0.3819 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6508 1.1445 -1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4829 1.4852 -2.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8548 1.5459 -0.8952 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4746 -0.0171 -1.2883 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3391 0.3471 -2.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 1.3118 -2.8162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 -0.8548 -1.6444 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3032 -0.6925 -0.5379 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 -1.2055 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -1.8581 -1.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 -0.9980 0.6372 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7179 -0.2836 1.6602 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 -0.3050 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2842 -0.0173 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 0.6525 -0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2039 1.0454 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6735 0.7639 1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 0.1050 1.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9766 -1.3734 -1.2380 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0854 -1.9559 0.4620 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9461 -0.6941 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3209 1.5887 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2086 0.0523 2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1185 0.0085 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4136 2.2934 -1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2219 -1.4160 -2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 -0.1606 0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 -1.9968 1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9735 0.7290 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -0.7269 2.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 -0.3157 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9211 0.8732 -1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1559 1.5678 0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2193 1.0711 2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 -0.0825 2.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 -2.0750 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 0.0740 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -1.1169 2.3157 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 3 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 10 22 1 0 22 23 1 0 23 24 1 0 24 2 1 0 22 7 1 0 21 16 1 0 1 25 1 0 1 26 1 0 1 27 1 0 6 28 1 0 10 29 1 6 11 30 1 0 14 31 1 1 15 32 1 0 15 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 22 39 1 6 24 40 1 0 24 41 1 0 M END