@MOLECULE n-{(3z)-3-[4-methyl-4-(3-methylbutyl)-1,3-dioxo-3,4-dihydro-2(1h)-naphthalenylidene]-1,1-dioxido-3,4-dihydro-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide 62 65 0 0 0 SMALL USER_CHARGES @ATOM 1 S -1.8764 1.5976 0.9945 S.O2 1 UNL11 2.3553 2 S -7.0593 -0.2390 -0.0727 S.O2 1 UNL11 2.3811 3 O 1.8956 -1.5993 -1.2987 O.2 1 UNL11 -0.5998 4 O 2.0789 2.7382 0.3953 O.2 1 UNL11 -0.5676 5 O -2.4789 2.7636 0.4112 O.2 1 UNL11 -0.8606 6 O -1.7880 1.4494 2.4155 O.2 1 UNL11 -0.8322 7 O -8.2417 -1.0447 -0.2296 O.2 1 UNL11 -0.8927 8 O -6.6615 0.3006 1.1974 O.2 1 UNL11 -0.8841 9 N -0.2120 1.5815 0.4028 N.pl3 1 UNL11 -0.8118 10 N -0.2472 -0.6656 -0.3266 N.pl3 1 UNL11 -0.5217 11 N -5.7941 -1.3213 -0.6305 N.pl3 1 UNL11 -0.8568 12 C 3.9993 -0.5600 -1.3230 C.3 1 UNL11 -0.0462 13 C 4.5996 -1.8407 -0.6947 C.3 1 UNL11 -0.2654 14 C 4.7394 0.6538 -0.8386 C.ar 1 UNL11 0.0565 15 C 4.5908 -1.7735 0.8364 C.3 1 UNL11 -0.2940 16 C 2.5065 -0.5760 -0.9922 C.2 1 UNL11 0.5490 17 C 4.0898 -0.6216 -2.8572 C.3 1 UNL11 -0.4364 18 C 5.1099 -3.0816 1.4613 C.3 1 UNL11 -0.0525 19 C 1.8489 0.5410 -0.3752 C.2 1 UNL11 -0.5900 20 C 4.0742 1.7203 -0.2350 C.ar 1 UNL11 -0.1855 21 C 2.6092 1.7215 -0.0456 C.2 1 UNL11 0.5562 22 C 6.1291 0.7214 -0.9956 C.ar 1 UNL11 -0.1940 23 C 0.4544 0.5029 -0.0931 C.2 1 UNL11 0.6000 24 C 4.0532 -4.1884 1.3640 C.3 1 UNL11 -0.4557 25 C 5.4737 -2.8362 2.9318 C.3 1 UNL11 -0.4560 26 C 4.7886 2.8363 0.2159 C.ar 1 UNL11 -0.0561 27 C 6.8377 1.8293 -0.5436 C.ar 1 UNL11 -0.0986 28 C 6.1690 2.8911 0.0666 C.ar 1 UNL11 -0.1933 29 C -1.6405 -0.8059 -0.2933 C.ar 1 UNL11 0.2056 30 C -2.4962 0.1566 0.2422 C.ar 1 UNL11 -0.4276 31 C -3.8794 -0.0185 0.1916 C.ar 1 UNL11 -0.1602 32 C -2.1817 -1.9942 -0.8355 C.ar 1 UNL11 -0.1846 33 C -4.4212 -1.1572 -0.4126 C.ar 1 UNL11 0.2098 34 C -3.5477 -2.1659 -0.8917 C.ar 1 UNL11 -0.1687 35 C -7.0400 1.0527 -1.2749 C.3 1 UNL11 -0.7505 36 H 4.0153 -2.7194 -1.0412 H 1 UNL11 0.1659 37 H 5.6279 -1.9989 -1.0653 H 1 UNL11 0.1394 38 H 5.2127 -0.9228 1.1773 H 1 UNL11 0.1461 39 H 3.5700 -1.5611 1.2068 H 1 UNL11 0.1470 40 H 3.5385 -1.4889 -3.2481 H 1 UNL11 0.1678 41 H 3.6628 0.2776 -3.3179 H 1 UNL11 0.1538 42 H 5.1270 -0.7062 -3.1976 H 1 UNL11 0.1516 43 H 6.0272 -3.4069 0.9154 H 1 UNL11 0.1245 44 H 6.6613 -0.1012 -1.4693 H 1 UNL11 0.1564 45 H 3.7568 -4.3706 0.3253 H 1 UNL11 0.1436 46 H 4.4264 -5.1322 1.7732 H 1 UNL11 0.1387 47 H 3.1454 -3.9221 1.9170 H 1 UNL11 0.1476 48 H 6.2705 -2.0910 3.0274 H 1 UNL11 0.1415 49 H 5.8222 -3.7552 3.4136 H 1 UNL11 0.1407 50 H 4.6111 -2.4724 3.5012 H 1 UNL11 0.1484 51 H 4.2457 3.6626 0.6863 H 1 UNL11 0.1761 52 H 7.9193 1.8677 -0.6649 H 1 UNL11 0.1469 53 H 0.3880 2.4462 0.5499 H 1 UNL11 0.3984 54 H 0.3240 -1.4598 -0.7420 H 1 UNL11 0.3919 55 H 6.7244 3.7555 0.4220 H 1 UNL11 0.1543 56 H -4.5339 0.7353 0.6496 H 1 UNL11 0.1994 57 H -1.5141 -2.7689 -1.2165 H 1 UNL11 0.1719 58 H -3.9620 -3.0795 -1.3173 H 1 UNL11 0.1592 59 H -6.0950 -2.2658 -0.8715 H 1 UNL11 0.3234 60 H -7.9718 1.6383 -1.2520 H 1 UNL11 0.1975 61 H -6.2182 1.7691 -1.1122 H 1 UNL11 0.2033 62 H -6.9352 0.6770 -2.3027 H 1 UNL11 0.1937 @BOND 1 41 17 1 2 40 17 1 3 42 17 1 4 17 12 1 5 62 35 1 6 44 22 1 7 12 16 1 8 12 14 1 9 12 13 1 10 58 34 1 11 3 16 2 12 35 60 1 13 35 61 1 14 35 2 1 15 57 32 1 16 37 13 1 17 36 13 1 18 22 14 ar 19 22 27 ar 20 16 19 1 21 34 32 ar 22 34 33 ar 23 59 11 1 24 14 20 ar 25 32 29 ar 26 54 10 1 27 13 15 1 28 52 27 1 29 11 33 1 30 11 2 1 31 27 28 ar 32 33 31 ar 33 19 23 2 34 19 21 1 35 10 29 1 36 10 23 1 37 29 30 ar 38 20 21 1 39 20 26 ar 40 7 2 2 41 23 9 1 42 2 8 2 43 21 4 2 44 28 26 ar 45 28 55 1 46 31 30 ar 47 31 56 1 48 26 51 1 49 30 1 1 50 45 24 1 51 9 53 1 52 9 1 1 53 5 1 2 54 15 38 1 55 15 39 1 56 15 18 1 57 43 18 1 58 1 6 2 59 24 18 1 60 24 46 1 61 24 47 1 62 18 25 1 63 25 48 1 64 25 49 1 65 25 50 1