@MOLECULE (6r,7s)-7-{[(2s)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.8393 -0.9104 1.3136 Cl 1 UNL1111111111 -0.0471 2 O -0.6800 2.3714 -0.8354 O.2 1 UNL1111111111 -0.3748 3 O -4.6427 1.7866 -0.9187 O.3 1 UNL1111111111 -0.5104 4 O 1.7623 -2.1787 -1.2864 O.2 1 UNL1111111111 -0.5329 5 OXT -3.6176 2.3355 0.9955 O.2 1 UNL1111111111 -0.4474 6 N -1.9192 0.3369 -1.0111 N.am 1 UNL1111111111 -0.4744 7 N 1.2250 -0.1631 -0.4176 N.am 1 UNL1111111111 -0.5923 8 N 3.9689 -2.6147 0.3006 N.3 1 UNL1111111111 -0.6088 9 C -1.1075 -0.9183 -1.2363 C.3 1 UNL1111111111 0.0629 10 CA 0.1665 0.0166 -1.3829 C.3 1 UNL1111111111 -0.0250 11 C -1.1859 -1.8857 -0.0675 C.3 1 UNL1111111111 -0.3017 12 C -0.7892 1.2054 -1.0092 C.2 1 UNL1111111111 0.5469 13 C -2.6643 -2.1437 0.2786 C.3 1 UNL1111111111 -0.2635 14 CA -3.0196 0.3002 -0.1573 C.2 1 UNL1111111111 0.0602 15 C -3.4028 -0.8624 0.4053 C.2 1 UNL1111111111 -0.0466 16 C 2.0063 -1.2996 -0.4868 C.2 1 UNL1111111111 0.5277 17 C -3.7451 1.5823 0.0706 C.2 1 UNL1111111111 0.6274 18 CA 3.1442 -1.4199 0.5479 C.3 1 UNL1111111111 -0.0310 19 C 3.9883 -0.1717 0.5393 C.ar 1 UNL1111111111 -0.0489 20 C 4.5062 0.3185 -0.6616 C.ar 1 UNL1111111111 -0.1621 21 C 4.2543 0.4901 1.7375 C.ar 1 UNL1111111111 -0.1420 22 C 5.2774 1.4774 -0.6630 C.ar 1 UNL1111111111 -0.1377 23 C 5.0261 1.6508 1.7322 C.ar 1 UNL1111111111 -0.1399 24 C 5.5354 2.1461 0.5333 C.ar 1 UNL1111111111 -0.1364 25 H -1.4022 -1.3976 -2.1934 H 1 UNL1111111111 0.1670 26 HA 0.5510 0.0506 -2.4244 H 1 UNL1111111111 0.1797 27 H -0.6569 -1.4858 0.8205 H 1 UNL1111111111 0.1633 28 H -0.6670 -2.8326 -0.3207 H 1 UNL1111111111 0.1735 29 H -2.7261 -2.7432 1.2138 H 1 UNL1111111111 0.1710 30 H -3.1370 -2.7791 -0.5054 H 1 UNL1111111111 0.1708 31 H 1.4610 0.6191 0.1794 H 1 UNL1111111111 0.3338 32 HA 2.6643 -1.5753 1.5590 H 1 UNL1111111111 0.1785 33 H1 4.7067 -2.4354 -0.3639 H 1 UNL1111111111 0.2565 34 H2 3.4051 -3.3835 -0.0456 H 1 UNL1111111111 0.2719 35 H -5.1558 2.6311 -0.8107 H 1 UNL1111111111 0.3534 36 H 4.3060 -0.2002 -1.5985 H 1 UNL1111111111 0.1568 37 H 3.8718 0.0983 2.6793 H 1 UNL1111111111 0.1585 38 H 5.6787 1.8626 -1.5993 H 1 UNL1111111111 0.1556 39 H 5.2324 2.1694 2.6673 H 1 UNL1111111111 0.1539 40 H 6.1357 3.0543 0.5302 H 1 UNL1111111111 0.1535 @BOND 1 1 15 1 2 2 12 2 3 3 17 1 4 3 35 1 5 4 16 2 6 5 17 2 7 6 9 1 8 6 12 am 9 6 14 1 10 7 10 1 11 7 16 am 12 7 31 1 13 8 18 1 14 8 33 1 15 8 34 1 16 9 10 1 17 9 11 1 18 9 25 1 19 10 12 1 20 10 26 1 21 11 13 1 22 11 27 1 23 11 28 1 24 13 15 1 25 13 29 1 26 13 30 1 27 14 15 2 28 14 17 1 29 16 18 1 30 18 19 1 31 18 32 1 32 19 20 ar 33 19 21 ar 34 20 22 ar 35 20 36 1 36 21 23 ar 37 21 37 1 38 22 24 ar 39 22 38 1 40 23 24 ar 41 23 39 1 42 24 40 1