HMDB0014636 RDKit 3D Cefotaxime 47 49 0 0 0 0 0 0 0 0999 V2000 5.8658 -1.2357 2.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2454 -1.4469 1.6649 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0163 -0.3386 0.8914 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 -0.0633 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 -0.9667 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 -1.9729 1.4364 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 -1.0155 0.2445 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5835 -2.0993 0.7152 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1624 -2.8479 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 -3.7708 -1.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2902 -2.0623 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 -1.5781 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5091 -2.5765 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1859 -3.8247 -0.9828 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7725 -2.3386 -1.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 -0.2852 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 0.2938 -0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7562 0.9555 0.3842 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9844 1.5791 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6783 2.2758 1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5005 1.5339 -0.9328 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 0.6822 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0364 -0.0156 1.6683 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -1.7323 1.3215 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8163 1.1798 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 1.7595 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3336 3.1083 -1.8243 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 2.8479 -1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 3.5955 -1.9202 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 1.7743 -0.7574 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7032 -0.5210 2.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 -2.1943 3.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1762 -0.7798 3.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9809 -0.3473 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 -2.7893 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0735 -2.4016 -2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9588 1.1669 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -0.2944 -1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 1.6696 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9336 2.5241 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0929 3.2334 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 0.8837 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 1.6404 0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -2.4290 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 1.5188 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9005 3.1044 -2.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1563 4.6004 -1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 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 12 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 2 0 16 22 1 0 22 23 1 0 23 24 1 0 4 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 2 0 24 8 1 0 30 25 1 0 24 11 1 0 1 31 1 0 1 32 1 0 1 33 1 0 7 34 1 0 8 35 1 1 15 36 1 0 17 37 1 0 17 38 1 0 20 39 1 0 20 40 1 0 20 41 1 0 22 42 1 0 22 43 1 0 24 44 1 1 26 45 1 0 29 46 1 0 29 47 1 0 M END