HMDB0015271 RDKit 3D Cefadroxil 42 44 0 0 0 0 0 0 0 0999 V2000 -4.3397 2.4514 -1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 1.5234 -0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 0.2274 -0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7191 -0.3112 -1.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8884 -1.5716 -1.4372 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7467 0.4662 -1.8552 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 -0.7331 -0.3169 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 -1.9795 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -2.9976 -1.2405 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -1.7502 0.6153 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4131 -1.5544 0.1892 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4515 -2.3091 0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 -3.1591 1.6623 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8819 -2.1494 0.3676 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7469 -3.0257 1.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2889 -0.7254 0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6563 -0.1757 1.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0432 1.1673 1.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0587 1.9560 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 3.3016 0.6203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6944 1.4095 -0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 0.0786 -0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 -0.5064 0.8866 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8812 1.0535 0.5755 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0817 2.1823 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0137 3.5219 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4808 2.2777 -2.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 2.3316 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6802 0.4170 -1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 -2.5139 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 -0.8647 -0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9598 -2.4485 -0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5672 -3.0300 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 -3.9795 0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6541 -0.7620 2.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3361 1.6290 2.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 3.7464 1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 1.9683 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 -0.3949 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3263 -0.5063 1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 2.9004 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4465 2.8386 0.7081 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 19 21 1 0 21 22 2 0 10 23 1 0 23 24 1 0 24 25 1 0 25 2 1 0 23 7 1 0 22 16 1 0 1 26 1 0 1 27 1 0 1 28 1 0 6 29 1 0 10 30 1 1 11 31 1 0 14 32 1 6 15 33 1 0 15 34 1 0 17 35 1 0 18 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 23 40 1 1 25 41 1 0 25 42 1 0 M END