@MOLECULE n-{2-[6-(2,4-diamino-6-ethyl-5-pyrimidinyl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl]ethyl}acetamide 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.2053 -0.3452 -1.3332 C.ar 1 UNL1111111111 0.5004 2 N 4.5329 -0.0292 -1.2961 N.ar 1 UNL1111111111 -0.6356 3 C 5.1953 -0.3507 -0.1453 C.ar 1 UNL1111111111 0.5765 4 N 4.6299 -0.9376 0.9632 N.ar 1 UNL1111111111 -0.5937 5 C 3.3152 -1.2198 0.9096 C.ar 1 UNL1111111111 0.3676 6 C 2.5402 -0.9593 -0.2351 C.ar 1 UNL1111111111 -0.4298 7 N 2.5709 -0.0574 -2.5125 N.pl3 1 UNL1111111111 -0.5893 8 N 6.5314 -0.0701 -0.0849 N.pl3 1 UNL1111111111 -0.5823 9 C 2.7342 -1.8213 2.1588 C.3 1 UNL1111111111 -0.2737 10 C 1.8449 -0.7930 2.8579 C.3 1 UNL1111111111 -0.4217 11 C 0.7670 -2.6640 -0.4140 C.ar 1 UNL1111111111 -0.2187 12 C -0.5744 -3.0169 -0.4896 C.ar 1 UNL1111111111 -0.0709 13 C -1.5588 -2.0326 -0.4982 C.ar 1 UNL1111111111 -0.2057 14 C -1.2084 -0.6725 -0.4186 C.ar 1 UNL1111111111 0.2332 15 C 0.1471 -0.3236 -0.2993 C.ar 1 UNL1111111111 -0.2855 16 C 1.1287 -1.3154 -0.3135 C.ar 1 UNL1111111111 0.1351 17 S -3.2435 -2.5261 -0.6329 S.3 1 UNL1111111111 0.0248 18 C -4.0195 -1.2032 0.3978 C.3 1 UNL1111111111 -0.0287 19 C -3.5546 0.1329 -0.1615 C.2 1 UNL1111111111 0.5610 20 N -2.2020 0.3261 -0.4709 N.am 1 UNL1111111111 -0.4862 21 C -1.8437 1.6877 -0.9068 C.3 1 UNL1111111111 -0.0884 22 C -1.7774 2.6171 0.3340 C.3 1 UNL1111111111 -0.0879 23 N -1.3955 3.9671 -0.0725 N.am 1 UNL1111111111 -0.6136 24 C -0.1902 4.5020 0.3454 C.2 1 UNL1111111111 0.6123 25 C 0.0927 5.9130 -0.0897 C.3 1 UNL1111111111 -0.5316 26 C -5.5291 -1.3115 0.2414 C.3 1 UNL1111111111 -0.4433 27 C -3.6167 -1.2970 1.8630 C.3 1 UNL1111111111 -0.4552 28 O -4.3132 1.0676 -0.3097 O.2 1 UNL1111111111 -0.5087 29 O 0.5783 3.8475 1.0183 O.2 1 UNL1111111111 -0.5303 30 H 3.0662 0.4123 -3.2445 H 1 UNL1111111111 0.3203 31 H 1.5788 -0.1437 -2.5848 H 1 UNL1111111111 0.3160 32 H 7.0432 -0.2629 0.7523 H 1 UNL1111111111 0.3242 33 H 6.9845 0.3917 -0.8448 H 1 UNL1111111111 0.3216 34 H 3.5465 -2.1494 2.8440 H 1 UNL1111111111 0.1691 35 H 2.1563 -2.7347 1.9108 H 1 UNL1111111111 0.1576 36 H 1.0131 -0.4751 2.2155 H 1 UNL1111111111 0.1557 37 H 1.4180 -1.1999 3.7803 H 1 UNL1111111111 0.1440 38 H 2.4129 0.1092 3.1221 H 1 UNL1111111111 0.1578 39 H 1.5399 -3.4303 -0.4308 H 1 UNL1111111111 0.1663 40 H -0.8449 -4.0743 -0.5432 H 1 UNL1111111111 0.1622 41 H 0.4494 0.7164 -0.1637 H 1 UNL1111111111 0.1890 42 H -0.8819 1.6879 -1.4604 H 1 UNL1111111111 0.1552 43 H -2.6187 2.0551 -1.6223 H 1 UNL1111111111 0.1626 44 H -2.7710 2.6429 0.8396 H 1 UNL1111111111 0.1554 45 H -1.0450 2.2132 1.0756 H 1 UNL1111111111 0.1807 46 H -2.0575 4.4845 -0.6203 H 1 UNL1111111111 0.3093 47 H -0.8023 6.5063 -0.3007 H 1 UNL1111111111 0.1627 48 H 0.6613 6.4367 0.6959 H 1 UNL1111111111 0.1861 49 H 0.7269 5.9159 -0.9886 H 1 UNL1111111111 0.1797 50 H -5.9292 -2.2416 0.6641 H 1 UNL1111111111 0.1587 51 H -6.0297 -0.4750 0.7599 H 1 UNL1111111111 0.1740 52 H -5.8555 -1.2460 -0.8069 H 1 UNL1111111111 0.1669 53 H -2.5292 -1.2453 2.0151 H 1 UNL1111111111 0.1645 54 H -4.0618 -0.4777 2.4475 H 1 UNL1111111111 0.1640 55 H -3.9618 -2.2348 2.3202 H 1 UNL1111111111 0.1664 @BOND 1 1 2 ar 2 1 6 ar 3 1 7 1 4 2 3 ar 5 3 4 ar 6 3 8 1 7 4 5 ar 8 5 6 ar 9 5 9 1 10 6 16 1 11 7 30 1 12 7 31 1 13 8 32 1 14 8 33 1 15 9 10 1 16 9 34 1 17 9 35 1 18 10 36 1 19 10 37 1 20 10 38 1 21 11 12 ar 22 11 16 ar 23 11 39 1 24 12 13 ar 25 12 40 1 26 13 14 ar 27 13 17 1 28 14 15 ar 29 14 20 1 30 15 16 ar 31 15 41 1 32 17 18 1 33 18 19 1 34 18 26 1 35 18 27 1 36 19 20 am 37 19 28 2 38 20 21 1 39 21 22 1 40 21 42 1 41 21 43 1 42 22 23 1 43 22 44 1 44 22 45 1 45 23 24 am 46 23 46 1 47 24 25 1 48 24 29 2 49 25 47 1 50 25 48 1 51 25 49 1 52 26 50 1 53 26 51 1 54 26 52 1 55 27 53 1 56 27 54 1 57 27 55 1