HMDB0014809 RDKit 3D Cefixime 45 47 0 0 0 0 0 0 0 0999 V2000 5.7693 1.3610 -1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4255 0.4771 -0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0601 -0.0125 -0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 -0.8817 0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5963 -1.4057 1.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 -2.2557 2.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.1084 1.6509 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -1.3842 0.5214 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2519 -1.7747 1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 -1.9175 2.5263 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.9851 0.1177 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7202 -0.9966 0.0182 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0608 -1.3619 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 -2.6340 -0.2269 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 -0.5296 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0755 0.7527 -0.2146 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9401 1.4651 -0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8111 2.4214 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 3.0712 0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 2.7223 0.0774 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1354 4.0389 1.8835 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5878 -1.1027 -0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8445 -2.4393 -0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5675 -2.4478 -0.7530 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8247 -0.7642 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0657 -0.0283 -0.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6147 -0.2986 -0.5646 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5717 -1.6951 -0.6883 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5201 -0.1089 -1.5940 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1639 0.5675 -1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0731 1.7183 -2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7821 1.7651 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1714 0.1768 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6291 -1.8211 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0721 -2.9964 0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 -0.0133 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 1.9329 1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 3.1743 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 3.8790 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1968 -3.3257 -0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2250 0.5923 -1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7626 -0.1698 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 -2.5450 -1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 0.3076 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1687 1.6873 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 15 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 11 28 1 0 28 29 1 0 29 30 1 0 30 3 1 0 28 8 1 0 27 22 1 0 1 31 1 0 1 32 1 0 2 33 1 0 7 34 1 0 11 35 1 6 12 36 1 0 18 37 1 0 18 38 1 0 21 39 1 0 23 40 1 0 26 41 1 0 26 42 1 0 28 43 1 6 30 44 1 0 30 45 1 0 M END