@MOLECULE 1-cyclopropyl-6-fluoro-7-(3-methoxycyclohexyl)-4-oxo-5,8-dihydro-2H-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 42 45 0 0 0 SMALL USER_CHARGES @ATOM 1 F -1.5750 2.8614 -0.1266 F 1 UNL11111111 -0.1444 2 O 3.3439 2.3272 -0.7150 O.2 1 UNL11111111 -0.4203 3 O 5.7402 1.4487 -0.1186 O.3 1 UNL11111111 -0.4835 4 O 6.0238 -0.7580 -0.1946 O.2 1 UNL11111111 -0.5700 5 O -5.4513 -0.6606 -1.5305 O.3 1 UNL11111111 -0.3144 6 N 1.9399 -1.3399 0.3706 N.4 1 UNL11111111 -0.3065 7 C 1.4532 -2.6739 0.6708 C.3 1 UNL11111111 -0.0057 8 C 0.6315 -3.4140 -0.3737 C.3 1 UNL11111111 -0.3132 9 C 2.0364 -3.8617 -0.0751 C.3 1 UNL11111111 -0.3180 10 C 1.0268 -0.2738 0.2395 C.3 1 UNL11111111 0.1821 11 C 3.2823 -1.1298 0.2443 C.3 1 UNL11111111 0.1893 12 C 1.5121 1.0041 -0.0884 C.3 1 UNL11111111 -0.1848 13 C 3.8117 0.0986 -0.0631 C.3 1 UNL11111111 -0.4261 14 C -0.3515 -0.4775 0.4392 C.3 1 UNL11111111 -0.2213 15 C 2.9614 1.2512 -0.3221 C.2 1 UNL11111111 0.5011 16 C -1.2353 0.5837 0.3066 C.3 1 UNL11111111 -0.0074 17 C 0.6265 2.0778 -0.2109 C.3 1 UNL11111111 -0.1062 18 C -0.7272 1.8528 -0.0118 C.3 1 UNL11111111 0.1293 19 C -2.6779 0.3717 0.4868 C.3 1 UNL11111111 0.0509 20 C 5.2628 0.1857 -0.1429 C.2 1 UNL11111111 0.6800 21 C -3.4424 -0.0527 -0.5927 C.3 1 UNL11111111 -0.2506 22 C -3.2640 0.5948 1.7376 C.3 1 UNL11111111 -0.2195 23 C -4.8199 -0.2448 -0.4011 C.3 1 UNL11111111 0.2555 24 C -4.6305 0.3941 1.9028 C.3 1 UNL11111111 -0.0701 25 C -5.4248 -0.0269 0.8364 C.3 1 UNL11111111 -0.2980 26 C -6.8638 -0.8023 -1.4721 C.3 1 UNL11111111 -0.2027 27 H 1.1941 -2.7789 1.7372 H 1 UNL11111111 0.1767 28 H 0.4101 -2.9356 -1.3283 H 1 UNL11111111 0.1802 29 H -0.2183 -4.0156 -0.0585 H 1 UNL11111111 0.1688 30 H 2.2152 -4.7901 0.4638 H 1 UNL11111111 0.1695 31 H 2.8146 -3.7194 -0.8249 H 1 UNL11111111 0.1776 32 H 3.9421 -2.0046 0.4063 H 1 UNL11111111 0.1946 33 H -0.7412 -1.4615 0.6970 H 1 UNL11111111 0.1777 34 H 1.0178 3.0715 -0.4659 H 1 UNL11111111 0.2048 35 H -3.0015 -0.2244 -1.5719 H 1 UNL11111111 0.1806 36 H -2.6523 0.9307 2.5714 H 1 UNL11111111 0.1645 37 H -5.0894 0.5705 2.8758 H 1 UNL11111111 0.1505 38 H 6.7304 1.4757 -0.1933 H 1 UNL11111111 0.3411 39 H -6.4890 -0.1749 0.9798 H 1 UNL11111111 0.1630 40 H -7.3445 0.1477 -1.2182 H 1 UNL11111111 0.1373 41 H -7.1474 -1.5958 -0.7743 H 1 UNL11111111 0.1324 42 H -7.1088 -1.0919 -2.5038 H 1 UNL11111111 0.1554 @BOND 1 42 26 1 2 35 21 1 3 5 26 1 4 5 23 1 5 26 40 1 6 26 41 1 7 28 8 1 8 31 9 1 9 2 15 2 10 21 23 1 11 21 19 1 12 34 17 1 13 23 25 1 14 8 9 1 15 8 29 1 16 8 7 1 17 15 12 1 18 15 13 1 19 17 12 1 20 17 18 1 21 4 20 2 22 38 3 1 23 20 3 1 24 20 13 1 25 1 18 1 26 12 10 1 27 9 30 1 28 9 7 1 29 13 11 1 30 18 16 1 31 10 6 1 32 10 14 1 33 11 6 1 34 11 32 1 35 16 14 1 36 16 19 1 37 6 7 1 38 14 33 1 39 19 22 1 40 7 27 1 41 25 39 1 42 25 24 1 43 22 24 1 44 22 36 1 45 24 37 1