@MOLECULE n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2h-1,4-benzothiazin-7-yl}methanesulfonamide 59 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 6.6041 -1.2746 2.3197 O.2 1 UNL1 -0.8963 2 S 7.2554 -0.8217 1.1207 S.O2 1 UNL1 2.3863 3 O 8.4681 -0.0447 1.1521 O.2 1 UNL1 -0.8945 4 C 7.4624 -2.2024 0.0349 C.3 1 UNL1 -0.7536 5 N 6.1565 0.2151 0.2364 N.pl3 1 UNL1 -0.8574 6 C 4.7556 0.1658 0.2556 C.ar 1 UNL1 0.2437 7 C 4.0309 -0.8245 0.9418 C.ar 1 UNL1 -0.2398 8 C 4.0618 1.1309 -0.5059 C.ar 1 UNL1 -0.1874 9 C 2.6810 1.0824 -0.6010 C.ar 1 UNL1 -0.3651 10 S 1.8407 2.2921 -1.5709 S.O2 1 UNL1 2.2135 11 O 2.3957 2.2441 -2.9066 O.2 1 UNL1 -0.9017 12 O 1.8361 3.5402 -0.8439 O.2 1 UNL1 -0.8849 13 C 0.1429 1.7137 -1.6838 C.3 1 UNL1 -0.6585 14 C -0.2170 0.6346 -0.7143 C.2 1 UNL1 0.3218 15 N 0.5644 -0.0600 0.0366 N.2 1 UNL1 -0.4048 16 C 1.9616 0.0824 0.0640 C.ar 1 UNL1 0.1172 17 C 2.6494 -0.8649 0.8423 C.ar 1 UNL1 -0.0846 18 C -1.6580 0.3436 -0.6330 C.ar 1 UNL1 -0.3278 19 C -2.5438 1.2036 -0.0383 C.ar 1 UNL1 0.3496 20 O -2.0760 2.3805 0.3964 O.3 1 UNL1 -0.4163 21 C -2.1187 -0.9282 -1.1420 C.ar 1 UNL1 0.5659 22 O -1.5049 -1.7633 -1.7590 O.2 1 UNL1 -0.4545 23 N -3.5227 -1.1938 -0.9062 N.ar 1 UNL1 -0.2733 24 C -4.0762 -2.5374 -1.2040 C.3 1 UNL1 -0.0558 25 C -3.7880 -3.4927 -0.0365 C.3 1 UNL1 -0.3159 26 C -4.4075 -4.8773 -0.2943 C.3 1 UNL1 -0.0562 27 C -3.6593 -5.6145 -1.4097 C.3 1 UNL1 -0.4550 28 C -4.3612 -5.7005 0.9995 C.3 1 UNL1 -0.4556 29 N -4.3568 -0.3717 -0.3040 N.ar 1 UNL1 -0.0671 30 C -3.9295 0.8210 0.1013 C.ar 1 UNL1 -0.1182 31 C -4.8891 1.7139 0.7039 C.ar 1 UNL1 -0.1573 32 C -5.1371 3.0229 0.3768 C.ar 1 UNL1 -0.1874 33 S -5.9246 1.1999 2.0071 S.2 1 UNL1 0.3110 34 C -6.6710 2.7557 2.1192 C.ar 1 UNL1 -0.2830 35 C -6.1534 3.6158 1.1910 C.ar 1 UNL1 -0.1637 36 H 6.6638 -2.2825 -0.7168 H 1 UNL1 0.1960 37 H 8.4114 -2.1483 -0.5193 H 1 UNL1 0.1975 38 H 7.4686 -3.1550 0.5853 H 1 UNL1 0.1958 39 H 6.5573 1.0996 -0.0875 H 1 UNL1 0.3278 40 H 4.5273 -1.5540 1.5858 H 1 UNL1 0.1901 41 H 4.6315 1.9045 -1.0279 H 1 UNL1 0.1731 42 H -0.5398 2.5869 -1.5462 H 1 UNL1 0.2191 43 H -0.0624 1.3632 -2.7230 H 1 UNL1 0.2162 44 H 2.0752 -1.6304 1.3700 H 1 UNL1 0.1728 45 H -2.7574 2.9070 0.9078 H 1 UNL1 0.3500 46 H -5.1712 -2.4557 -1.3911 H 1 UNL1 0.1610 47 H -3.5936 -2.8961 -2.1451 H 1 UNL1 0.1719 48 H -2.6945 -3.5863 0.1185 H 1 UNL1 0.1637 49 H -4.1917 -3.0670 0.9032 H 1 UNL1 0.1541 50 H -5.4752 -4.7495 -0.5967 H 1 UNL1 0.1291 51 H -4.0571 -6.6247 -1.5549 H 1 UNL1 0.1434 52 H -3.7384 -5.0917 -2.3685 H 1 UNL1 0.1431 53 H -2.5916 -5.7131 -1.1801 H 1 UNL1 0.1526 54 H -4.9242 -5.2166 1.8044 H 1 UNL1 0.1422 55 H -4.7922 -6.6967 0.8515 H 1 UNL1 0.1442 56 H -3.3325 -5.8393 1.3505 H 1 UNL1 0.1488 57 H -4.6547 3.5638 -0.4243 H 1 UNL1 0.1693 58 H -7.4416 2.9696 2.8390 H 1 UNL1 0.1781 59 H -6.4652 4.6419 1.0587 H 1 UNL1 0.1672 @BOND 1 11 10 2 2 43 13 1 3 52 27 1 4 47 24 1 5 22 21 2 6 13 10 1 7 13 42 1 8 13 14 1 9 10 12 2 10 10 9 1 11 51 27 1 12 27 53 1 13 27 26 1 14 46 24 1 15 24 23 1 16 24 25 1 17 21 23 ar 18 21 18 ar 19 41 8 1 20 23 29 ar 21 36 4 1 22 14 18 1 23 14 15 2 24 18 19 ar 25 9 8 ar 26 9 16 ar 27 50 26 1 28 37 4 1 29 8 6 ar 30 57 32 1 31 29 30 ar 32 26 25 1 33 26 28 1 34 39 5 1 35 19 30 ar 36 19 20 1 37 25 48 1 38 25 49 1 39 4 38 1 40 4 2 1 41 15 16 1 42 16 17 ar 43 30 31 1 44 5 6 1 45 5 2 1 46 6 7 ar 47 32 31 ar 48 32 35 ar 49 20 45 1 50 31 33 ar 51 17 7 ar 52 17 44 1 53 55 28 1 54 7 40 1 55 28 56 1 56 28 54 1 57 59 35 1 58 2 3 2 59 2 1 2 60 35 34 ar 61 33 34 ar 62 34 58 1