HMDB0041852 RDKit 3D Cefpirome 57 61 0 0 0 0 0 0 0 0999 V2000 -4.5410 -3.3910 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 -1.9961 0.9944 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3845 -1.2171 0.2649 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0729 0.0305 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 0.5409 0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 1.8836 0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0548 -0.0718 1.1848 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1816 -0.7696 1.9335 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2066 0.0404 2.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 0.6763 3.8593 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2216 -0.2755 1.8505 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1259 0.0320 1.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 -0.0235 2.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 0.1705 2.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8867 -0.3289 3.6763 O 0 0 0 0 0 1 0 0 0 0 0 0 1.3155 0.4100 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 0.7562 -0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8196 0.8375 -0.3322 N 0 0 0 0 0 4 0 0 0 0 0 0 4.3497 2.0387 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 2.1964 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 1.1131 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 -0.1046 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 -0.2514 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4001 -1.6593 -0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7537 -2.0145 -1.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6982 -1.3909 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 0.6168 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 -0.9844 -0.5688 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 -1.3546 1.2000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0079 0.8630 -0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1692 0.2427 -1.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9441 1.5003 -2.1093 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8066 2.7247 -1.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8114 3.9837 -2.2377 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8651 2.1127 -1.1039 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5431 -3.8348 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -3.8930 1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2415 -3.6481 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8043 2.0276 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5751 -1.5530 2.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3837 0.1859 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 1.8184 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7114 2.9003 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0815 3.1567 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5577 1.2273 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -2.3100 -0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6156 -1.7285 -1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8209 -1.4304 -2.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 -3.0797 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 -2.0430 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7108 -1.2659 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1982 0.9310 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 1.4262 -0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7542 -2.3725 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4908 -0.8090 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0371 4.6323 -1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0297 2.7254 -0.8072 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 1 0 5 7 2 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 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 16 27 1 0 27 28 1 0 28 29 1 0 4 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 3 33 35 1 0 29 8 1 0 35 30 1 0 29 11 1 0 23 18 1 0 26 22 1 0 1 36 1 0 1 37 1 0 1 38 1 0 6 39 1 0 8 40 1 1 17 41 1 0 17 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 24 46 1 0 24 47 1 0 25 48 1 0 25 49 1 0 26 50 1 0 26 51 1 0 27 52 1 0 27 53 1 0 29 54 1 6 31 55 1 0 34 56 1 0 35 57 1 0 M CHG 2 15 -1 18 1 M END