@MOLECULE (2r)-2-{(1r)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 SD -3.2266 -1.7146 0.9990 S.3 1 UNL1111111111 -0.0487 2 CG -4.7010 -0.6598 0.7470 C.3 1 UNL1111111111 -0.3093 3 CB -4.3310 0.8127 0.8455 C.3 1 UNL1111111111 -0.3231 4 CA -3.1653 1.1534 -0.0349 C.2 1 UNL1111111111 0.1542 5 C -3.1195 2.6044 -0.4366 C.2 1 UNL1111111111 0.6088 6 O -2.0453 3.2126 0.1081 O.3 1 UNL1111111111 -0.5178 7 OXT -3.9234 3.1851 -1.1119 O.2 1 UNL1111111111 -0.4634 8 N -2.2405 0.4152 -0.5081 N.2 1 UNL1111111111 -0.3804 9 CE -2.1218 -1.0043 -0.3244 C.3 1 UNL1111111111 -0.0361 10 CA -0.6604 -1.3756 0.0487 C.3 1 UNL1111111111 -0.0310 11 C -0.3824 -2.8525 -0.3189 C.2 1 UNL1111111111 0.3363 12 O -1.1167 -3.4471 -1.0601 O.2 1 UNL1111111111 -0.4204 13 N 0.2942 -0.5626 -0.7178 N.am 1 UNL1111111111 -0.6037 14 C 1.6396 -0.6412 -0.3910 C.2 1 UNL1111111111 0.5950 15 O 2.0253 -1.4944 0.3778 O.2 1 UNL1111111111 -0.5213 16 C 2.5372 0.3321 -1.1316 C.3 1 UNL1111111111 -0.3466 17 C 3.8697 0.3871 -0.5006 C.ar 1 UNL1111111111 -0.1090 18 C 5.0138 -0.2272 -0.9224 C.ar 1 UNL1111111111 -0.1826 19 C 6.1401 0.0185 -0.0653 C.ar 1 UNL1111111111 -0.1588 20 C 5.8460 0.8167 0.9998 C.ar 1 UNL1111111111 -0.2770 21 S 4.1718 1.2812 0.9752 S.2 1 UNL1111111111 0.2102 22 HG1 -5.1714 -0.8902 -0.2292 H 1 UNL1111111111 0.1707 23 HG2 -5.4426 -0.9406 1.5213 H 1 UNL1111111111 0.1762 24 HB1 -4.0889 1.0954 1.8982 H 1 UNL1111111111 0.1858 25 HB2 -5.2159 1.4394 0.5800 H 1 UNL1111111111 0.1838 26 H -1.9731 4.1749 -0.1304 H 1 UNL1111111111 0.3562 27 HE -2.3877 -1.4958 -1.3105 H 1 UNL1111111111 0.2086 28 HA -0.4731 -1.2275 1.1500 H 1 UNL1111111111 0.1781 29 H 0.5171 -3.2996 0.1212 H 1 UNL1111111111 0.1562 30 H -0.1030 0.2200 -1.2238 H 1 UNL1111111111 0.3381 31 H 2.6215 -0.0048 -2.1947 H 1 UNL1111111111 0.1895 32 H 2.0693 1.3414 -1.1927 H 1 UNL1111111111 0.1794 33 H 5.0945 -0.8514 -1.7994 H 1 UNL1111111111 0.1644 34 H 7.1114 -0.4056 -0.2717 H 1 UNL1111111111 0.1622 35 H 6.5135 1.1413 1.7769 H 1 UNL1111111111 0.1754 @BOND 1 1 2 1 2 1 9 1 3 2 3 1 4 2 22 1 5 2 23 1 6 3 4 1 7 3 24 1 8 3 25 1 9 4 5 1 10 4 8 2 11 5 6 1 12 5 7 2 13 6 26 1 14 8 9 1 15 9 10 1 16 9 27 1 17 10 11 1 18 10 13 1 19 10 28 1 20 11 12 2 21 11 29 1 22 13 14 am 23 13 30 1 24 14 15 2 25 14 16 1 26 16 17 1 27 16 31 1 28 16 32 1 29 17 18 ar 30 17 21 ar 31 18 19 ar 32 18 33 1 33 19 20 ar 34 19 34 1 35 20 21 ar 36 20 35 1