@MOLECULE (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)amino]methyl}-6-methyl-3-pyridinyl)methyl dihydrogen phosphate 50 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.4487 -0.2996 1.9984 C.ar 1 UNL1 -0.0351 2 C -5.7711 -0.6417 1.7868 C.ar 1 UNL1 -0.3209 3 C -5.4810 -0.2973 -0.6194 C.ar 1 UNL1 -0.3161 4 C 4.3492 1.0277 0.6231 C.ar 1 UNL1 -0.0013 5 C -3.6016 0.0382 0.9289 C.ar 1 UNL1 -0.1410 6 C 3.1191 0.6520 0.0726 C.ar 1 UNL1 -0.0570 7 C 2.1729 1.6514 -0.2007 C.ar 1 UNL1 -0.1659 8 C -4.1455 0.0499 -0.3806 C.ar 1 UNL1 0.2407 9 C -6.2731 -0.6461 0.4730 C.ar 1 UNL1 0.2909 10 C 2.5212 2.9704 0.0841 C.ar 1 UNL1 0.1546 11 C 3.7930 3.2817 0.6314 C.ar 1 UNL1 0.1371 12 C -2.2141 0.3352 1.1295 C.ar 1 UNL1 -0.2091 13 C -1.3791 0.5979 0.0810 C.ar 1 UNL1 0.0632 14 C -1.9124 0.6420 -1.2964 C.ar 1 UNL1 0.5358 15 C 4.1659 4.6919 0.9215 C.3 1 UNL1 -0.4286 16 C -8.4189 -1.3923 1.1609 C.3 1 UNL1 -0.2041 17 C 0.8283 1.3253 -0.7783 C.3 1 UNL1 -0.0785 18 C 2.7984 -0.7870 -0.2236 C.3 1 UNL1 0.0203 19 N 4.6744 2.3089 0.8945 N.ar 1 UNL1 -0.3523 20 N -3.2964 0.4758 -1.3984 N.ar 1 UNL1 -0.2513 21 N 0.0053 0.6597 0.2545 N.pl3 1 UNL1 -0.4933 22 O 5.6860 -3.0780 0.6105 O.3 1 UNL1 -0.3430 23 O 4.3761 -3.5782 -1.4379 O.3 1 UNL1 -0.2985 24 O -1.2938 0.9022 -2.3141 O.2 1 UNL1 -0.5429 25 O 3.1861 -3.8118 0.7719 O.2 1 UNL1 -0.2125 26 O 1.7091 4.0354 -0.1226 O.3 1 UNL1 -0.4418 27 O -3.8360 0.2961 -2.6722 O.3 1 UNL1 -0.2478 28 O -7.5413 -0.9756 0.1230 O.3 1 UNL1 -0.3014 29 O 4.0605 -1.4613 -0.0849 O.3 1 UNL1 -0.3881 30 P 4.1887 -3.0616 0.0491 P.3 1 UNL1 0.3634 31 H -4.0448 -0.2955 3.0128 H 1 UNL1 0.1555 32 H -6.4061 -0.9029 2.6259 H 1 UNL1 0.1658 33 H -5.8967 -0.2987 -1.6253 H 1 UNL1 0.1995 34 H 5.1282 0.2955 0.8650 H 1 UNL1 0.1872 35 H -1.8397 0.3134 2.1525 H 1 UNL1 0.1701 36 H 3.4341 5.1684 1.5923 H 1 UNL1 0.1679 37 H 5.1571 4.7675 1.3965 H 1 UNL1 0.1737 38 H 4.1926 5.2905 -0.0029 H 1 UNL1 0.1695 39 H -9.3391 -1.6198 0.6044 H 1 UNL1 0.1556 40 H -8.0423 -2.2916 1.6580 H 1 UNL1 0.1364 41 H -8.5947 -0.5805 1.8732 H 1 UNL1 0.1351 42 H 0.3247 2.2286 -1.2016 H 1 UNL1 0.1411 43 H 0.9240 0.6220 -1.6499 H 1 UNL1 0.1911 44 H 2.0098 -1.1591 0.4705 H 1 UNL1 0.1605 45 H 2.4368 -0.9053 -1.2712 H 1 UNL1 0.1467 46 H 0.3174 0.8438 1.2044 H 1 UNL1 0.2965 47 H 5.8574 -2.2073 1.1263 H 1 UNL1 0.3210 48 H 5.1446 -3.0583 -1.8805 H 1 UNL1 0.3103 49 H 0.8283 3.7515 -0.4912 H 1 UNL1 0.3262 50 H -3.1659 0.7323 -3.3019 H 1 UNL1 0.3147 @BOND 1 50 27 1 2 27 20 1 3 24 14 2 4 48 23 1 5 43 17 1 6 33 3 1 7 23 30 1 8 20 14 ar 9 20 8 ar 10 14 13 ar 11 45 18 1 12 42 17 1 13 17 7 1 14 17 21 1 15 3 8 ar 16 3 9 ar 17 49 26 1 18 8 5 ar 19 18 29 1 20 18 6 1 21 18 44 1 22 7 6 ar 23 7 10 ar 24 26 10 1 25 29 30 1 26 38 15 1 27 30 22 1 28 30 25 2 29 6 4 ar 30 13 21 1 31 13 12 ar 32 10 11 ar 33 28 9 1 34 28 16 1 35 21 46 1 36 9 2 ar 37 39 16 1 38 22 47 1 39 4 34 1 40 4 19 ar 41 11 19 ar 42 11 15 1 43 15 37 1 44 15 36 1 45 5 12 ar 46 5 1 ar 47 12 35 1 48 16 40 1 49 16 41 1 50 2 1 ar 51 2 32 1 52 1 31 1