@MOLECULE 7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2h-1,4-benzothiazine-3-carboxylic acid 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 SG -1.5567 1.8257 0.2330 S.3 1 UNL111111111111 0.0775 2 O -0.4652 -3.1111 -0.8780 O.3 1 UNL111111111111 -0.4669 3 O -5.0432 1.0440 0.3975 O.3 1 UNL111111111111 -0.5508 4 OXT -4.1164 -0.7636 1.3334 O.2 1 UNL111111111111 -0.4879 5 O 3.2004 0.9463 -1.6098 O.3 1 UNL111111111111 -0.5441 6 OXT 4.3945 2.0121 -0.0547 O.2 1 UNL111111111111 -0.5188 7 N -2.3252 -1.0842 -0.7998 N.pl3 1 UNL111111111111 -0.5177 8 N 5.3642 -0.6168 0.7226 N.3 1 UNL111111111111 -0.6325 9 CA -3.3129 0.0067 -0.8476 C.3 1 UNL111111111111 0.0032 10 C -1.0222 -0.8257 -0.2823 C.ar 1 UNL111111111111 0.0243 11 C -0.5451 0.3823 0.2264 C.ar 1 UNL111111111111 -0.1063 12 C 1.5988 -0.6180 0.7289 C.ar 1 UNL111111111111 0.0325 13 CB -2.7043 1.3756 -1.1146 C.3 1 UNL111111111111 -0.3537 14 C 2.9805 -0.5116 1.2917 C.3 1 UNL111111111111 -0.2925 15 C 0.7489 0.4857 0.7387 C.ar 1 UNL111111111111 -0.1905 16 C -0.1126 -1.9094 -0.3475 C.ar 1 UNL111111111111 0.2354 17 C 1.1740 -1.8252 0.1689 C.ar 1 UNL111111111111 -0.2279 18 CA 4.0268 -0.4012 0.1604 C.3 1 UNL111111111111 0.0144 19 C -4.1522 0.0272 0.4311 C.2 1 UNL111111111111 0.5891 20 C 3.9122 0.9887 -0.4624 C.2 1 UNL111111111111 0.5782 21 HA -4.0121 -0.2592 -1.7020 H 1 UNL111111111111 0.1863 22 HB1 -2.1753 1.3837 -2.0891 H 1 UNL111111111111 0.1817 23 HB2 -3.4895 2.1584 -1.1738 H 1 UNL111111111111 0.1916 24 H -2.7382 -1.9109 -0.3326 H 1 UNL111111111111 0.3014 25 H 3.2203 -1.4100 1.9083 H 1 UNL111111111111 0.1861 26 H 3.0742 0.3434 1.9926 H 1 UNL111111111111 0.1645 27 H 1.1069 1.4328 1.1474 H 1 UNL111111111111 0.1732 28 H 1.8305 -2.6931 0.1227 H 1 UNL111111111111 0.1844 29 HA 3.8301 -1.1888 -0.6194 H 1 UNL111111111111 0.1843 30 H1 5.6188 0.0877 1.4000 H 1 UNL111111111111 0.2669 31 H2 6.0796 -0.6724 0.0159 H 1 UNL111111111111 0.2596 32 H -1.1893 -3.0104 -1.5489 H 1 UNL111111111111 0.3384 33 H -5.6010 1.1101 1.2148 H 1 UNL111111111111 0.3620 34 H 3.0625 1.8305 -2.0330 H 1 UNL111111111111 0.3548 @BOND 1 1 11 1 2 1 13 1 3 2 16 1 4 2 32 1 5 3 19 1 6 3 33 1 7 4 19 2 8 5 20 1 9 5 34 1 10 6 20 2 11 7 9 1 12 7 10 1 13 7 24 1 14 8 18 1 15 8 30 1 16 8 31 1 17 9 13 1 18 9 19 1 19 9 21 1 20 10 11 ar 21 10 16 ar 22 11 15 ar 23 12 14 1 24 12 15 ar 25 12 17 ar 26 13 22 1 27 13 23 1 28 14 18 1 29 14 25 1 30 14 26 1 31 15 27 1 32 16 17 ar 33 17 28 1 34 18 20 1 35 18 29 1