@MOLECULE (2z)-n-{[(2r)-1-ethyl-2-pyrrolidinyl]methyl}-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2h-1,4-benzothiazine-6-carboxamide 54 57 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 2.9199 -0.6471 -0.1967 S.2 1 UNL1 0.1619 2 F 5.9979 0.5744 1.8589 F 1 UNL1 -0.1583 3 O -3.3620 1.4978 1.1328 O.2 1 UNL1 -0.5150 4 O 3.1994 3.0827 -1.4255 O.2 1 UNL1 -0.4833 5 N -7.3441 -0.3894 -0.0251 N.3 1 UNL1 -0.4535 6 N -3.7402 -0.7240 0.9705 N.am 1 UNL1 -0.5894 7 N 1.3842 2.0254 -0.7026 N.ar 1 UNL1 -0.5500 8 C -5.8729 -0.3632 -0.2456 C.3 1 UNL1 0.0148 9 C -5.6128 -1.5452 -1.2130 C.3 1 UNL1 -0.2844 10 C -6.9278 -1.7354 -1.9909 C.3 1 UNL1 -0.2810 11 C -7.9418 -0.7730 -1.3320 C.3 1 UNL1 -0.1035 12 C -5.1845 -0.5526 1.1290 C.3 1 UNL1 -0.0868 13 C -7.8751 0.8770 0.5243 C.3 1 UNL1 -0.0904 14 C -9.3951 0.7738 0.7019 C.3 1 UNL1 -0.4477 15 C -2.9166 0.3847 0.9357 C.2 1 UNL1 0.5732 16 C -1.4664 0.1393 0.6768 C.ar 1 UNL1 -0.0662 17 C -0.7191 1.1672 0.1158 C.ar 1 UNL1 -0.1850 18 C -0.8688 -1.0789 1.0082 C.ar 1 UNL1 -0.1795 19 C 0.6525 0.9694 -0.1438 C.ar 1 UNL1 0.2033 20 C 1.2398 -0.2683 0.1489 C.ar 1 UNL1 -0.1695 21 C 0.4782 -1.2788 0.7365 C.ar 1 UNL1 -0.0982 22 C 3.6235 0.9032 -0.6158 C.ar 1 UNL1 -0.2338 23 C 2.7629 2.0575 -0.9404 C.ar 1 UNL1 0.5897 24 C 4.9570 1.0428 -0.6892 C.2 1 UNL1 -0.0426 25 C 5.9242 -0.0175 -0.4010 C.ar 1 UNL1 -0.1051 26 C 6.4302 -0.2132 0.8882 C.ar 1 UNL1 0.2069 27 C 6.3941 -0.8582 -1.4135 C.ar 1 UNL1 -0.0983 28 C 7.3674 -1.2004 1.1930 C.ar 1 UNL1 -0.2200 29 C 7.3341 -1.8491 -1.1345 C.ar 1 UNL1 -0.1810 30 C 7.8229 -2.0170 0.1603 C.ar 1 UNL1 -0.1035 31 H -5.5202 0.5923 -0.7068 H 1 UNL1 0.1320 32 H -5.3695 -2.4612 -0.6494 H 1 UNL1 0.1396 33 H -4.7637 -1.3428 -1.8801 H 1 UNL1 0.1381 34 H -6.8059 -1.5144 -3.0618 H 1 UNL1 0.1366 35 H -7.2702 -2.7816 -1.9215 H 1 UNL1 0.1416 36 H -8.9143 -1.2687 -1.1311 H 1 UNL1 0.1414 37 H -8.1381 0.0974 -1.9892 H 1 UNL1 0.1157 38 H -5.6043 -1.4355 1.6592 H 1 UNL1 0.1560 39 H -5.3874 0.3380 1.7729 H 1 UNL1 0.1694 40 H -7.3980 1.0275 1.5240 H 1 UNL1 0.1413 41 H -7.6148 1.7630 -0.0949 H 1 UNL1 0.1158 42 H -3.4257 -1.6293 0.6683 H 1 UNL1 0.3072 43 H -9.9219 0.8569 -0.2547 H 1 UNL1 0.1404 44 H -9.6695 -0.1955 1.1512 H 1 UNL1 0.1604 45 H -9.7729 1.5624 1.3628 H 1 UNL1 0.1456 46 H -1.1971 2.1260 -0.1049 H 1 UNL1 0.1892 47 H -1.4375 -1.8644 1.5032 H 1 UNL1 0.1600 48 H 0.9299 -2.2374 1.0062 H 1 UNL1 0.1662 49 H 0.8728 2.8826 -0.9330 H 1 UNL1 0.3355 50 H 5.4023 2.0069 -0.9901 H 1 UNL1 0.1957 51 H 6.0122 -0.7457 -2.4271 H 1 UNL1 0.1636 52 H 7.7355 -1.3301 2.2090 H 1 UNL1 0.1739 53 H 7.6856 -2.5038 -1.9304 H 1 UNL1 0.1565 54 H 8.5668 -2.7868 0.3637 H 1 UNL1 0.1542 @BOND 1 34 10 1 2 51 27 1 3 10 35 1 4 10 11 1 5 10 9 1 6 37 11 1 7 53 29 1 8 33 9 1 9 4 23 2 10 27 29 ar 11 27 25 ar 12 11 36 1 13 11 5 1 14 9 32 1 15 9 8 1 16 29 30 ar 17 50 24 1 18 23 7 ar 19 23 22 ar 20 49 7 1 21 31 8 1 22 7 19 ar 23 24 22 2 24 24 25 1 25 22 1 ar 26 25 26 ar 27 43 14 1 28 8 5 1 29 8 12 1 30 1 20 ar 31 19 17 ar 32 19 20 ar 33 46 17 1 34 41 13 1 35 5 13 1 36 17 16 ar 37 20 21 ar 38 30 54 1 39 30 28 ar 40 13 14 1 41 13 40 1 42 42 6 1 43 16 15 1 44 16 18 ar 45 14 44 1 46 14 45 1 47 21 48 1 48 21 18 ar 49 26 28 ar 50 26 2 1 51 15 6 am 52 15 3 2 53 6 12 1 54 18 47 1 55 12 38 1 56 12 39 1 57 28 52 1