@MOLECULE (3r)-3-cyclopentyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.6873 0.0088 2.1349 C.3 1 UNL1111111111 -0.2763 2 C -7.1759 0.1436 1.7790 C.3 1 UNL1111111111 -0.2680 3 C -7.2574 0.1170 0.2409 C.3 1 UNL1111111111 -0.2652 4 C -5.8954 -0.3776 -0.2816 C.3 1 UNL1111111111 -0.2794 5 C -5.0625 -0.7632 0.9560 C.3 1 UNL1111111111 -0.1410 6 C -3.5442 -0.4940 0.8157 C.3 1 UNL1111111111 0.0925 7 C -2.9583 -1.4746 -0.2359 C.3 1 UNL1111111111 -0.3866 8 N -3.2256 0.9176 0.5338 N.3 1 UNL1111111111 -0.8802 9 S -2.1994 1.3065 -0.8202 S.O2 1 UNL1111111111 2.3399 10 O -2.9882 1.1141 -2.0151 O.2 1 UNL1111111111 -0.9166 11 O -1.5942 2.5883 -0.5569 O.2 1 UNL1111111111 -0.8684 12 C -1.0149 0.0239 -0.6995 C.ar 1 UNL1111111111 -0.4306 13 C 0.3451 0.2634 -0.8505 C.ar 1 UNL1111111111 0.0282 14 C -1.4923 -1.2624 -0.4263 C.ar 1 UNL1111111111 0.1399 15 C -0.5933 -2.3258 -0.3354 C.ar 1 UNL1111111111 -0.2372 16 C 0.7713 -2.0927 -0.4946 C.ar 1 UNL1111111111 -0.0101 17 C 1.2376 -0.8014 -0.7364 C.ar 1 UNL1111111111 -0.4021 18 S 2.9640 -0.5120 -0.8779 S.O2 1 UNL1111111111 2.3083 19 O 3.6053 -1.7662 -1.2066 O.2 1 UNL1111111111 -0.9190 20 O 3.1701 0.6774 -1.6717 O.2 1 UNL1111111111 -0.9045 21 N 3.3962 -0.1290 0.7776 N.3 1 UNL1111111111 -0.7247 22 C 4.3594 -1.0364 1.4273 C.3 1 UNL1111111111 -0.0821 23 C 5.8259 -0.7422 1.0239 C.3 1 UNL1111111111 -0.1619 24 N 6.1423 0.6695 1.3539 N.3 1 UNL1111111111 -0.4050 25 C 7.5496 0.9719 1.0157 C.3 1 UNL1111111111 -0.2857 26 C 5.2275 1.5933 0.6383 C.3 1 UNL1111111111 -0.1614 27 C 3.7684 1.2723 1.0471 C.3 1 UNL1111111111 -0.0832 28 H -5.2267 1.0034 2.2633 H 1 UNL1111111111 0.1436 29 H -5.5381 -0.5164 3.0902 H 1 UNL1111111111 0.1326 30 H -7.7559 -0.6885 2.2129 H 1 UNL1111111111 0.1348 31 H -7.6090 1.0677 2.1921 H 1 UNL1111111111 0.1363 32 H -8.0757 -0.5384 -0.0980 H 1 UNL1111111111 0.1337 33 H -7.4860 1.1192 -0.1583 H 1 UNL1111111111 0.1382 34 H -6.0154 -1.2340 -0.9635 H 1 UNL1111111111 0.1340 35 H -5.4007 0.4069 -0.8835 H 1 UNL1111111111 0.1610 36 H -5.1959 -1.8549 1.1477 H 1 UNL1111111111 0.1362 37 H -3.0570 -0.7177 1.8093 H 1 UNL1111111111 0.1451 38 H -3.1852 -2.5132 0.0760 H 1 UNL1111111111 0.1643 39 H -3.4915 -1.3568 -1.2115 H 1 UNL1111111111 0.1981 40 H -4.0198 1.5376 0.6810 H 1 UNL1111111111 0.3117 41 H 0.7114 1.2837 -1.0593 H 1 UNL1111111111 0.1928 42 H -0.9516 -3.3328 -0.1388 H 1 UNL1111111111 0.1565 43 H 1.4677 -2.9385 -0.4309 H 1 UNL1111111111 0.1696 44 H 4.2464 -0.9053 2.5303 H 1 UNL1111111111 0.1532 45 H 4.1122 -2.0969 1.2010 H 1 UNL1111111111 0.1499 46 H 6.5052 -1.3945 1.6126 H 1 UNL1111111111 0.1407 47 H 5.9898 -0.9919 -0.0467 H 1 UNL1111111111 0.1389 48 H 7.8026 0.8427 -0.0475 H 1 UNL1111111111 0.1249 49 H 7.7739 2.0121 1.3047 H 1 UNL1111111111 0.1470 50 H 8.2086 0.3213 1.6148 H 1 UNL1111111111 0.1463 51 H 5.4740 2.6313 0.9475 H 1 UNL1111111111 0.1419 52 H 5.3360 1.5529 -0.4677 H 1 UNL1111111111 0.1435 53 H 3.0693 1.9682 0.5329 H 1 UNL1111111111 0.1516 54 H 3.6442 1.4433 2.1435 H 1 UNL1111111111 0.1541 @BOND 1 1 5 1 2 1 28 1 3 1 29 1 4 2 1 1 5 2 30 1 6 2 31 1 7 3 2 1 8 3 4 1 9 3 32 1 10 3 33 1 11 4 5 1 12 4 34 1 13 4 35 1 14 5 6 1 15 5 36 1 16 6 7 1 17 6 37 1 18 7 14 1 19 7 38 1 20 7 39 1 21 8 6 1 22 8 9 1 23 8 40 1 24 9 12 1 25 9 11 2 26 10 9 2 27 12 13 ar 28 13 17 ar 29 13 41 1 30 14 12 ar 31 14 15 ar 32 15 16 ar 33 15 42 1 34 16 17 ar 35 16 43 1 36 17 18 1 37 18 19 2 38 18 20 2 39 18 21 1 40 21 22 1 41 21 27 1 42 22 23 1 43 22 44 1 44 22 45 1 45 23 24 1 46 23 46 1 47 23 47 1 48 24 25 1 49 25 48 1 50 25 49 1 51 25 50 1 52 26 24 1 53 26 51 1 54 26 52 1 55 27 26 1 56 27 53 1 57 27 54 1