HMDB0015286 RDKit 3D Gemifloxacin 48 51 0 0 0 0 0 0 0 0999 V2000 -4.9766 -3.4222 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9223 -2.4892 0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2152 -1.1852 -0.0514 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 -0.2395 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -0.4604 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 0.8772 0.4376 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 1.1443 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9243 0.1270 0.0046 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 0.3313 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 1.5832 0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 2.6369 0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5657 2.3901 0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 3.4240 1.0587 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1055 1.7875 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 2.9415 0.3995 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9566 0.7641 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3896 1.0049 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1609 0.0756 -0.6758 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 2.2403 -0.0521 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -0.4499 -0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 -0.6875 -0.4504 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5095 -1.9854 -0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 -3.1997 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -2.9256 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 1.7694 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4543 1.1840 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7662 1.8085 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8854 1.2293 -0.7016 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5057 -3.6083 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7542 -3.0503 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6086 -4.3746 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3909 -1.0639 -0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8802 -0.9917 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 3.6222 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 2.9696 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -1.2526 -0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5263 -1.9375 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 -4.0367 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4194 -3.1909 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6502 -3.5206 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1452 -2.6547 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9058 1.6796 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 2.8187 0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 1.4689 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9327 1.6610 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7173 2.8793 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6565 1.9345 -0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2716 0.3737 -0.2500 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 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 10 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 6 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 4 1 0 12 7 1 0 24 22 1 0 21 9 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 5 33 1 0 11 34 1 0 19 35 1 0 20 36 1 0 22 37 1 0 23 38 1 0 23 39 1 0 24 40 1 0 24 41 1 0 25 42 1 0 25 43 1 0 26 44 1 0 27 45 1 0 27 46 1 0 28 47 1 0 28 48 1 0 M END