HMDB0060581 RDKit 3D Ceftaroline 65 69 0 0 0 0 0 0 0 0999 V2000 7.4960 -2.7930 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0174 -2.6016 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4474 -2.0801 0.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0314 -0.8750 0.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5713 0.1629 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 0.2662 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 1.4155 -1.1264 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3576 -0.5602 -0.3335 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0257 -1.7761 0.2657 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9827 -2.6129 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -3.7447 -0.8124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 -1.6228 0.0072 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1598 -0.9556 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 -1.7494 -1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1242 -1.2760 -1.7985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0798 -3.1581 -1.2181 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1949 0.3394 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 1.1739 -1.0117 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0855 0.4441 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3532 0.6715 -0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2457 0.1321 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6891 0.4087 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6227 0.1306 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9425 0.3882 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3721 0.8865 -0.2110 N 0 0 0 0 0 4 0 0 0 0 0 0 -11.7726 1.1740 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5067 1.1548 -1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1910 0.9122 -0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8259 -0.7029 1.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1027 -0.6437 1.1907 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 1.2035 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 0.3993 1.4923 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -1.3805 1.2056 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3045 1.4728 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5849 1.5435 0.5936 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1362 2.6390 1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4219 3.0197 1.0759 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5210 1.9042 0.2492 P 0 0 0 0 0 5 0 0 0 0 0 0 9.4525 0.5324 0.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1002 2.4911 0.3035 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0077 1.9028 -1.3867 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7818 3.5701 1.4798 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5425 2.4860 0.9709 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8956 -3.5061 -1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8473 -2.8945 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9479 -1.7505 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.9584 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 -3.6599 -0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6813 2.2092 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 -2.1779 0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3945 -3.6867 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2400 -0.2833 2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6531 0.1600 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1967 0.9015 -1.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3321 0.6181 0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9402 2.2707 -0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8449 1.5521 -2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4547 1.1187 -1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3976 -1.2753 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4927 1.7024 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6681 2.0661 0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 -2.0418 2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3886 2.6347 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2164 1.1008 -1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5088 2.6076 0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 21 29 2 0 29 30 1 0 17 31 1 0 31 32 1 0 32 33 1 0 5 34 1 0 34 35 2 0 35 36 1 0 36 37 2 3 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 36 42 1 0 42 43 1 0 33 9 1 0 43 34 1 0 33 12 1 0 30 19 1 0 28 22 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 7 49 1 0 9 50 1 1 16 51 1 0 23 52 1 0 24 53 1 0 26 54 1 0 26 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 29 59 1 0 31 60 1 0 31 61 1 0 33 62 1 1 40 63 1 0 41 64 1 0 43 65 1 0 M CHG 1 25 1 M END