HMDB0014419 RDKit 3D Cefmetazole 47 49 0 0 0 0 0 0 0 0999 V2000 2.9125 -3.2820 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 -2.6395 -1.3934 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 -1.5721 -1.1416 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2979 -0.6033 -0.2087 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 0.2205 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 0.0845 -1.6304 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9502 1.2599 0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1230 0.5454 1.5883 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 -0.0781 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 1.0173 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0153 1.8869 -0.3107 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 -0.8693 -2.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 -0.5584 -3.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 -0.6869 -1.7464 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9892 0.1552 -1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 1.4775 -2.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 1.7765 -2.9722 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 2.4589 -2.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -0.1399 -0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2391 0.6908 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3402 1.0043 1.1463 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7732 1.9876 1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7702 3.3373 1.5457 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9831 3.7815 1.8601 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7170 2.7021 2.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0255 1.6021 1.8336 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4902 0.2526 1.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 -1.4442 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 -2.0095 0.4220 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4016 -1.9612 -1.1478 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0017 -3.6685 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 -4.1389 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4072 -2.5761 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -0.4538 0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 2.0629 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 1.6886 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2294 -0.5830 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3332 -0.8170 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 3.3157 -1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3959 1.5640 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1122 -0.0086 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1512 -0.3751 1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -0.2754 2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6047 0.1685 1.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7328 -1.2962 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 -2.1786 -0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2176 -2.8250 -1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 6 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 3 0 3 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 2 0 19 20 1 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 26 27 1 0 19 28 1 0 28 29 1 0 29 30 1 0 30 3 1 0 30 14 1 0 26 22 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 7 35 1 0 7 36 1 0 9 37 1 0 9 38 1 0 18 39 1 0 20 40 1 0 20 41 1 0 27 42 1 0 27 43 1 0 27 44 1 0 28 45 1 0 28 46 1 0 30 47 1 6 M END