@MOLECULE 7-[(3s)-3-(2-amino-2-propanyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 50 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.3510 -0.0775 -0.4017 C.3 1 UNL1 -0.1469 2 C -1.3118 -2.3558 -0.1319 C.ar 1 UNL1 0.0111 3 C 6.7149 0.5242 0.2536 C.3 1 UNL1 -0.5173 4 C 5.0968 2.3275 -0.4133 C.3 1 UNL1 -0.4721 5 H 4.8289 0.3237 2.2514 H 1 UNL1 0.2533 6 H 5.2770 1.8990 2.1762 H 1 UNL1 0.2563 7 C 0.8225 -1.1521 -0.1879 C.ar 1 UNL1 0.4006 8 C 0.0617 -2.3716 -0.2149 C.ar 1 UNL1 -0.0751 9 O -4.1013 -2.0824 0.1027 O.2 1 UNL1 -0.4375 10 O -5.9094 1.6147 0.5765 O.2 1 UNL1 -0.5763 11 C -0.2516 2.9123 -1.1693 C.3 1 UNL1 -0.2969 12 C -1.4306 3.7172 -0.6878 C.3 1 UNL1 -0.3402 13 C 2.8466 0.2465 -0.2837 C.3 1 UNL1 -0.0679 14 C 3.1032 -2.1709 -0.0835 C.3 1 UNL1 -0.0647 15 C 4.4797 -1.5124 0.1498 C.3 1 UNL1 -0.2985 16 O -6.1848 -0.5419 0.1086 O.3 1 UNL1 -0.4761 17 C -5.4061 0.5390 0.3238 C.2 1 UNL1 0.6770 18 C -0.9791 2.5015 0.1002 C.3 1 UNL1 0.0342 19 C -3.4407 -1.0707 0.0895 C.ar 1 UNL1 0.5282 20 C -3.9770 0.2865 0.1992 C.ar 1 UNL1 -0.4120 21 H -7.1501 -0.3324 0.2127 H 1 UNL1 0.3376 22 C -1.1838 0.0420 -0.0147 C.ar 1 UNL1 0.4128 23 C -1.9733 -1.1223 -0.0228 C.ar 1 UNL1 -0.3541 24 N 4.7761 1.1657 1.7045 N.3 1 UNL1 -0.6734 25 C -3.1601 1.3877 0.2057 C.ar 1 UNL1 0.1887 26 F 0.6857 -3.5320 -0.3430 F 1 UNL1 -0.1461 27 C 5.2387 0.9750 0.3125 C.3 1 UNL1 0.2490 28 N -1.7992 1.3024 0.0842 N.ar 1 UNL1 -0.3142 29 N 2.1688 -1.0657 -0.3708 N.pl3 1 UNL1 -0.3762 30 N 0.1681 0.0433 -0.0786 N.ar 1 UNL1 -0.5618 31 H -0.4684 2.6224 1.0701 H 1 UNL1 0.1822 32 H -3.5809 2.4068 0.3136 H 1 UNL1 0.1960 33 H -1.9080 -3.2796 -0.1499 H 1 UNL1 0.2037 34 H -0.3413 2.2972 -2.0631 H 1 UNL1 0.1743 35 H 0.7584 3.3060 -1.0947 H 1 UNL1 0.1642 36 H -1.2821 4.7073 -0.2633 H 1 UNL1 0.1656 37 H -2.3570 3.6990 -1.2582 H 1 UNL1 0.1715 38 H 4.6378 -0.0846 -1.4805 H 1 UNL1 0.1478 39 H 2.6060 0.7615 0.6774 H 1 UNL1 0.1809 40 H 2.4838 0.9010 -1.1025 H 1 UNL1 0.1527 41 H 3.1295 -2.8538 -0.9624 H 1 UNL1 0.1565 42 H 2.7914 -2.7567 0.8062 H 1 UNL1 0.1486 43 H 5.2823 -2.0682 -0.3603 H 1 UNL1 0.1493 44 H 4.7308 -1.5144 1.2229 H 1 UNL1 0.1447 45 H 6.8810 -0.4058 0.8047 H 1 UNL1 0.1493 46 H 7.0380 0.3561 -0.7790 H 1 UNL1 0.1574 47 H 7.3800 1.2822 0.6793 H 1 UNL1 0.1516 48 H 5.7726 3.0816 0.0027 H 1 UNL1 0.1475 49 H 5.3194 2.2361 -1.4804 H 1 UNL1 0.1492 50 H 4.0753 2.7185 -0.3103 H 1 UNL1 0.1656 @BOND 1 34 11 1 2 38 1 1 3 49 4 1 4 37 12 1 5 11 35 1 6 11 12 1 7 11 18 1 8 40 13 1 9 41 14 1 10 46 3 1 11 12 36 1 12 12 18 1 13 4 50 1 14 4 48 1 15 4 27 1 16 1 13 1 17 1 15 1 18 1 27 1 19 29 13 1 20 29 7 1 21 29 14 1 22 43 15 1 23 26 8 1 24 13 39 1 25 8 7 ar 26 8 2 ar 27 7 30 ar 28 33 2 1 29 2 23 ar 30 14 15 1 31 14 42 1 32 30 22 ar 33 23 22 ar 34 23 19 ar 35 22 28 ar 36 28 18 1 37 28 25 ar 38 19 9 2 39 19 20 ar 40 18 31 1 41 16 21 1 42 16 17 1 43 15 44 1 44 20 25 ar 45 20 17 1 46 25 32 1 47 3 27 1 48 3 47 1 49 3 45 1 50 27 24 1 51 17 10 2 52 24 6 1 53 24 5 1