HMDB0014582 RDKit 3D Ceftazidime 59 62 0 0 0 0 0 0 0 0999 V2000 -6.6941 1.8998 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2843 0.9302 -0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2125 -0.2751 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9407 0.5643 -0.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4839 -0.0614 0.4108 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2104 -0.2767 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2886 0.1596 -0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8084 0.7462 -1.4335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 0.0416 -0.4459 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 0.5472 -1.5495 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7694 -0.3567 -2.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 -1.3891 -2.9444 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8668 0.4251 -1.8236 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 0.5760 -1.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 0.4005 -3.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 0.5035 -3.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 0.1049 -4.1884 O 0 0 0 0 0 1 0 0 0 0 0 0 3.9023 0.7757 -0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3616 0.9488 -0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9988 -0.1105 0.3305 N 0 0 0 0 0 4 0 0 0 0 0 0 6.1670 0.0091 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -1.0158 2.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 -2.1639 1.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0265 -2.2749 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4191 -1.2307 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0718 0.7770 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4866 1.6042 0.4843 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 1.4521 -1.2388 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8002 -0.9632 1.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7233 -1.3626 2.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -2.0699 3.9939 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 -1.8251 3.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 -2.1893 3.7183 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -1.2170 2.1297 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5316 1.5017 -2.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 1.5821 -2.9765 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7850 1.9495 -2.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7971 2.2700 0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2292 2.7775 -0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3622 1.4385 1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7850 -0.9899 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3362 -0.7611 -1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2031 0.1169 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3865 -0.4178 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8128 1.0316 -2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8838 1.1744 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5319 1.9046 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8658 0.8775 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 -0.9308 3.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6802 -2.9806 2.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3585 -3.1659 -0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2973 -1.3555 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 1.1933 1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 -0.2891 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 2.4134 -1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8248 -1.2412 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 -1.4062 4.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 -3.1588 3.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1781 2.7820 -2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 18 26 1 0 26 27 1 0 27 28 1 0 6 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 2 0 2 35 1 0 35 36 2 0 35 37 1 0 28 10 1 0 34 29 1 0 28 13 1 0 25 20 1 0 1 38 1 0 1 39 1 0 1 40 1 0 3 41 1 0 3 42 1 0 3 43 1 0 9 44 1 0 10 45 1 6 19 46 1 0 19 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 26 54 1 0 28 55 1 6 30 56 1 0 33 57 1 0 33 58 1 0 37 59 1 0 M CHG 2 17 -1 20 1 M END