@MOLECULE 1-o-{[(3s)-9-fluoro-3-methyl-10-(4-methylpiperazin-4-ium-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinolin-6-yl]carbonyl}-beta-d-glucopyranuronate 66 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 4.0906 -2.8105 0.6688 F 1 UNL1 -0.1468 2 O -4.7078 0.5405 0.0980 O.3 1 UNL1 -0.4003 3 O 4.0961 1.7831 -0.3326 O.3 1 UNL1 -0.2326 4 O -2.8868 -0.4997 -0.6429 O.3 1 UNL1 -0.3407 5 O -6.6452 -2.9988 0.6899 O.3 1 UNL1 -0.5524 6 O -4.5029 -2.8023 -1.3818 O.3 1 UNL1 -0.5001 7 O -8.0707 -0.4909 0.7624 O.3 1 UNL1 -0.5482 8 O -0.7120 -1.8121 -0.2324 O.2 1 UNL1 -0.4224 9 O -6.8223 2.8738 0.4676 O.3 1 UNL1 -0.5469 10 O -2.7028 1.3976 -1.8440 O.2 1 UNL1 -0.5359 11 O -6.0861 1.8760 2.3257 O.2 1 UNL1 -0.4746 12 N 5.5709 -0.3476 0.1618 N.pl3 1 UNL1 -0.4086 13 N 1.2882 1.7085 -0.7212 N.ar 1 UNL1 -0.3070 14 N 8.3508 -0.6437 0.6855 N.3 1 UNL1 -0.3970 15 C 2.0005 3.0015 -0.6671 C.3 1 UNL1 0.0607 16 C -6.2610 -1.8554 -0.0370 C.3 1 UNL1 0.0413 17 C 2.0036 0.5492 -0.3724 C.ar 1 UNL1 0.0612 18 C -4.7640 -1.8593 -0.3797 C.3 1 UNL1 0.0240 19 C -6.6699 -0.6392 0.8213 C.3 1 UNL1 0.0703 20 C 4.1588 -0.5265 0.1050 C.ar 1 UNL1 0.0577 21 C 3.4066 0.6126 -0.2225 C.ar 1 UNL1 0.1291 22 C 6.0780 -0.1939 1.5465 C.3 1 UNL1 -0.1002 23 C 6.3638 -1.3570 -0.5760 C.3 1 UNL1 -0.1024 24 C -4.2850 -0.4581 -0.8283 C.3 1 UNL1 0.2605 25 C -6.1114 0.6536 0.1945 C.3 1 UNL1 0.0149 26 C 7.8039 -0.7946 -0.6865 C.3 1 UNL1 -0.1243 27 C 7.5332 0.3279 1.4546 C.3 1 UNL1 -0.1229 28 C 3.4449 2.7527 -1.1451 C.3 1 UNL1 -0.1088 29 C 1.3380 -0.6712 -0.2056 C.ar 1 UNL1 -0.1369 30 C -0.0523 1.6503 -0.9403 C.ar 1 UNL1 0.1951 31 C 3.4355 -1.7193 0.3082 C.ar 1 UNL1 0.1204 32 C -0.7643 0.4789 -0.8280 C.ar 1 UNL1 -0.4353 33 C 2.0598 -1.8114 0.1470 C.ar 1 UNL1 -0.1559 34 C -0.1363 -0.7646 -0.4047 C.ar 1 UNL1 0.5036 35 C 1.9870 3.5518 0.7600 C.3 1 UNL1 -0.4755 36 C -2.1777 0.5425 -1.1693 C.2 1 UNL1 0.6480 37 C 9.7622 -0.2060 0.6360 C.3 1 UNL1 -0.2839 38 C -6.3097 1.8208 1.1493 C.2 1 UNL1 0.6348 39 H -6.8949 -1.9136 -0.9556 H 1 UNL1 0.1583 40 H 1.4941 3.7218 -1.3638 H 1 UNL1 0.1545 41 H -4.1286 -2.2270 0.4676 H 1 UNL1 0.1910 42 H -6.3565 -0.7581 1.8834 H 1 UNL1 0.1628 43 H 6.0532 -1.1481 2.1168 H 1 UNL1 0.1409 44 H 5.9281 -1.4962 -1.5862 H 1 UNL1 0.1411 45 H 6.4052 -2.3473 -0.0742 H 1 UNL1 0.1444 46 H 5.4472 0.5440 2.0842 H 1 UNL1 0.1390 47 H -4.5630 -0.1671 -1.8598 H 1 UNL1 0.1411 48 H -6.5676 0.8686 -0.8016 H 1 UNL1 0.1738 49 H 7.5351 1.3437 1.0050 H 1 UNL1 0.1260 50 H 7.9566 0.4088 2.4779 H 1 UNL1 0.1383 51 H 8.4384 -1.5159 -1.2426 H 1 UNL1 0.1384 52 H 7.7922 0.1583 -1.2562 H 1 UNL1 0.1271 53 H 3.4842 2.4225 -2.1993 H 1 UNL1 0.1506 54 H 4.0895 3.6412 -1.0123 H 1 UNL1 0.1637 55 H -0.5557 2.5917 -1.2286 H 1 UNL1 0.1872 56 H 1.5248 -2.7588 0.2938 H 1 UNL1 0.2102 57 H 2.5569 2.9063 1.4464 H 1 UNL1 0.1774 58 H 0.9688 3.6310 1.1621 H 1 UNL1 0.1660 59 H 2.4393 4.5491 0.8081 H 1 UNL1 0.1585 60 H 10.1561 -0.1515 1.6647 H 1 UNL1 0.1467 61 H 10.3547 -0.9695 0.1046 H 1 UNL1 0.1473 62 H 9.9246 0.7656 0.1472 H 1 UNL1 0.1184 63 H -5.8734 -3.4750 1.0618 H 1 UNL1 0.3333 64 H -5.0104 -2.6183 -2.2005 H 1 UNL1 0.3077 65 H -8.5030 -1.3216 1.0692 H 1 UNL1 0.3409 66 H -6.9896 3.6690 1.0310 H 1 UNL1 0.3531 @BOND 1 64 6 1 2 53 28 1 3 47 24 1 4 10 36 2 5 44 23 1 6 6 18 1 7 40 15 1 8 52 26 1 9 51 26 1 10 55 30 1 11 36 32 1 12 36 4 1 13 28 54 1 14 28 15 1 15 28 3 1 16 39 16 1 17 30 32 ar 18 30 13 ar 19 24 4 1 20 24 18 1 21 24 2 1 22 32 34 ar 23 48 25 1 24 13 15 1 25 13 17 ar 26 26 23 1 27 26 14 1 28 15 35 1 29 23 45 1 30 23 12 1 31 34 8 2 32 34 29 ar 33 18 16 1 34 18 41 1 35 17 21 ar 36 17 29 ar 37 3 21 1 38 21 20 ar 39 29 33 ar 40 16 5 1 41 16 19 1 42 2 25 1 43 61 37 1 44 20 12 1 45 20 31 ar 46 33 56 1 47 33 31 ar 48 62 37 1 49 12 22 1 50 25 19 1 51 25 38 1 52 31 1 1 53 9 66 1 54 9 38 1 55 37 14 1 56 37 60 1 57 14 27 1 58 5 63 1 59 35 59 1 60 35 58 1 61 35 57 1 62 7 19 1 63 7 65 1 64 19 42 1 65 49 27 1 66 38 11 2 67 27 22 1 68 27 50 1 69 22 46 1 70 22 43 1