HMDB0242136 RDKit 3D Sulfociprofloxacin 46 49 0 0 0 0 0 0 0 0999 V2000 -5.8541 -0.4786 3.4484 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3988 0.3600 2.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1526 1.4699 2.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0887 0.1764 2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6031 1.1301 1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3897 0.9268 0.6062 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 1.8828 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 2.4710 -1.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 1.4325 -1.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6302 -0.1617 0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3895 -0.3110 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -1.4010 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6962 -1.5241 -0.0363 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9188 -1.5874 0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 -0.5600 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0493 -0.5297 -1.1744 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 0.9688 -1.5750 S 0 0 0 0 0 6 0 0 0 0 0 0 4.0668 2.1416 -1.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9172 1.1542 -3.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3686 1.0323 -0.8694 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8394 -0.5627 -1.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -1.5947 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 -2.3375 1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7543 -3.4050 1.7246 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -2.2070 2.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -1.1106 1.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3432 -0.9371 2.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7639 -1.7915 3.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7696 2.4242 2.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1489 2.0127 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0234 2.5447 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8483 2.2194 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 3.4923 -1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 1.7374 -2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2383 0.4394 -2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 0.4398 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -2.6033 0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -1.3060 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6537 0.4464 0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8939 -0.8240 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 1.7034 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -0.8074 -2.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 0.4455 -1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -2.6156 -1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9072 -1.4402 -2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6508 -2.9556 2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 6 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 2 0 17 20 1 0 16 21 1 0 21 22 1 0 12 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 4 1 0 9 7 1 0 26 10 1 0 22 13 1 0 3 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 11 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 25 46 1 0 M END