HMDB0060450 RDKit 3D Cephalosporin C 49 50 0 0 0 0 0 0 0 0999 V2000 -7.3679 1.2716 0.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2266 0.3656 0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3259 0.2360 1.4745 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1088 -0.3349 -0.5704 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9913 -1.2078 -0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 -0.4507 -0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7027 -0.6332 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 -1.7226 0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -1.9082 1.7592 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8224 -2.5563 1.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5132 0.1609 -0.0577 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 0.4733 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 0.5485 1.7067 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2447 0.6821 -0.8591 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6205 -0.5802 -1.4045 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 -1.0406 -1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -2.2648 -1.6734 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 -0.3307 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -0.0435 -1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 0.6802 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 -0.1392 0.9598 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0048 -1.4002 0.5096 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 0.6174 1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5996 0.1061 1.8969 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 1.8446 2.2537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1518 1.1378 -1.0429 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0389 0.7418 -2.5372 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 0.6552 -1.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5981 1.8078 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0825 1.9782 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2208 0.6485 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1643 -1.5309 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1338 -2.0724 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7825 -3.5598 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 1.5022 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -3.1257 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 0.5986 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 -0.9909 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.9631 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8106 0.6504 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 1.6205 0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9436 1.0163 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -0.3042 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5153 -1.8201 1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6931 -1.2170 -0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3445 2.0705 3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 2.1980 -0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9376 1.5829 -1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4755 0.5255 -2.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 2 0 23 25 1 0 14 26 1 0 26 27 1 0 27 28 1 0 28 6 1 0 26 11 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 5 33 1 0 10 34 1 0 14 35 1 1 17 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 21 43 1 1 22 44 1 0 22 45 1 0 25 46 1 0 26 47 1 1 28 48 1 0 28 49 1 0 M END