@MOLECULE 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.3131 -0.9075 -1.2482 C.3 1 UNL1111 -0.4268 2 C 7.0325 0.0663 -0.1002 C.3 1 UNL1111 -0.2723 3 C 5.5583 0.3053 0.0231 C.ar 1 UNL1111 0.0205 4 C 4.9393 1.2786 -0.7655 C.ar 1 UNL1111 -0.1772 5 C 3.5690 1.4955 -0.6644 C.ar 1 UNL1111 -0.1422 6 C 2.8033 0.7393 0.2277 C.ar 1 UNL1111 -0.0124 7 C 3.4224 -0.2323 1.0187 C.ar 1 UNL1111 -0.1470 8 C 4.7935 -0.4479 0.9161 C.ar 1 UNL1111 -0.1818 9 C 1.3576 0.9554 0.3224 C.ar 1 UNL1111 -0.1095 10 C 0.8407 2.2325 0.5930 C.ar 1 UNL1111 -0.0443 11 C -0.5220 2.4460 0.6281 C.ar 1 UNL1111 -0.2817 12 C -1.4331 1.3833 0.3998 C.ar 1 UNL1111 0.3174 13 N -2.7990 1.5957 0.3789 N.pl3 1 UNL1111 -0.7144 14 C -3.3286 2.8805 0.8483 C.3 1 UNL1111 -0.2213 15 S -3.9038 0.5672 -0.5775 S.O2 1 UNL1111 2.4098 16 O -5.1954 0.7183 0.0477 O.2 1 UNL1111 -0.8815 17 O -3.7350 0.9690 -1.9474 O.2 1 UNL1111 -0.8678 18 C -3.1851 -0.9265 -0.2444 C.ar 1 UNL1111 -0.6054 19 C -3.7172 -2.2441 -0.1735 C.ar 1 UNL1111 0.0427 20 N -2.7499 -3.1030 0.2109 N.ar 1 UNL1111 -0.2675 21 N -1.6092 -2.3712 0.3916 N.ar 1 UNL1111 -0.1080 22 C -0.4118 -3.0694 0.8594 C.3 1 UNL1111 -0.0517 23 C 0.3919 -3.6345 -0.3127 C.3 1 UNL1111 -0.4652 24 C -1.8190 -1.0385 0.1116 C.ar 1 UNL1111 0.1856 25 C -0.9046 0.0713 0.2162 C.ar 1 UNL1111 -0.2224 26 C 0.4808 -0.1029 0.1348 C.ar 1 UNL1111 -0.0657 27 H 8.3875 -1.0880 -1.3626 H 1 UNL1111 0.1437 28 H 6.8275 -1.8755 -1.0770 H 1 UNL1111 0.1460 29 H 6.9359 -0.5189 -2.2019 H 1 UNL1111 0.1484 30 H 7.4504 -0.3343 0.8455 H 1 UNL1111 0.1457 31 H 7.5704 1.0211 -0.2728 H 1 UNL1111 0.1481 32 H 5.5312 1.8665 -1.4642 H 1 UNL1111 0.1536 33 H 3.0882 2.2489 -1.2869 H 1 UNL1111 0.1577 34 H 2.8321 -0.8155 1.7224 H 1 UNL1111 0.1513 35 H 5.2697 -1.2060 1.5334 H 1 UNL1111 0.1504 36 H 1.5301 3.0612 0.7640 H 1 UNL1111 0.1533 37 H -0.8976 3.4502 0.8070 H 1 UNL1111 0.1664 38 H -3.1557 3.6925 0.1194 H 1 UNL1111 0.1406 39 H -4.4226 2.8001 1.0243 H 1 UNL1111 0.1766 40 H -2.8787 3.1643 1.8165 H 1 UNL1111 0.1441 41 H -4.7251 -2.5755 -0.3716 H 1 UNL1111 0.1903 42 H 0.1967 -2.3648 1.4744 H 1 UNL1111 0.1552 43 H -0.7286 -3.9009 1.5395 H 1 UNL1111 0.1688 44 H 1.3311 -4.0825 0.0331 H 1 UNL1111 0.1606 45 H -0.1754 -4.4151 -0.8407 H 1 UNL1111 0.1696 46 H 0.6402 -2.8697 -1.0605 H 1 UNL1111 0.1630 47 H 0.8912 -1.0851 -0.1049 H 1 UNL1111 0.1570 @BOND 1 1 2 1 2 1 27 1 3 1 28 1 4 1 29 1 5 2 3 1 6 2 30 1 7 2 31 1 8 3 8 ar 9 4 5 ar 10 4 3 ar 11 4 32 1 12 5 6 ar 13 5 33 1 14 6 9 1 15 6 7 ar 16 7 34 1 17 8 7 ar 18 8 35 1 19 9 26 ar 20 10 11 ar 21 10 9 ar 22 10 36 1 23 11 12 ar 24 11 37 1 25 12 13 1 26 12 25 ar 27 13 15 1 28 14 13 1 29 14 38 1 30 14 39 1 31 14 40 1 32 15 16 2 33 15 18 1 34 17 15 2 35 18 19 ar 36 19 20 ar 37 19 41 1 38 21 20 ar 39 22 21 1 40 22 23 1 41 22 42 1 42 22 43 1 43 23 44 1 44 23 45 1 45 23 46 1 46 24 18 ar 47 24 21 ar 48 25 24 1 49 26 25 ar 50 26 47 1