@MOLECULE (2s)-(benzoylamino)(hydroxy)acetic acid 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0698 -1.8734 -0.6722 O.2 1 UNL1111111111 -0.4939 2 O -2.5898 -0.7875 1.6130 O.3 1 UNL1111111111 -0.5290 3 C 4.2337 0.7917 0.0681 C.ar 1 UNL1111111111 -0.1081 4 C 4.0085 -0.5836 0.0448 C.ar 1 UNL1111111111 -0.1657 5 C 2.7070 -1.0729 -0.0321 C.ar 1 UNL1111111111 -0.0806 6 C 1.6311 -0.1830 -0.0829 C.ar 1 UNL1111111111 -0.1430 7 C 1.8556 1.1938 -0.0748 C.ar 1 UNL1111111111 -0.1142 8 C 3.1591 1.6786 0.0067 C.ar 1 UNL1111111111 -0.1634 9 C 0.2774 -0.7836 -0.1834 C.2 1 UNL1111111111 0.5971 10 N -0.7925 -0.0300 0.3033 N.am 1 UNL1111111111 -0.6516 11 C -2.1294 -0.5938 0.3139 C.3 1 UNL1111111111 0.2989 12 C -3.0629 0.4004 -0.4089 C.2 1 UNL1111111111 0.5618 13 O -3.1432 1.5429 0.3237 O.3 1 UNL1111111111 -0.5906 14 O -3.6515 0.2624 -1.4395 O.2 1 UNL1111111111 -0.4490 15 H -2.6603 0.0522 2.1218 H 1 UNL1111111111 0.3349 16 H 5.2516 1.1754 0.1297 H 1 UNL1111111111 0.1519 17 H 4.8481 -1.2759 0.0828 H 1 UNL1111111111 0.1587 18 H 2.5205 -2.1504 -0.0631 H 1 UNL1111111111 0.1756 19 H 1.0270 1.8967 -0.1495 H 1 UNL1111111111 0.1525 20 H 3.3393 2.7522 0.0171 H 1 UNL1111111111 0.1557 21 H -0.6471 0.8394 0.7950 H 1 UNL1111111111 0.3208 22 H -2.1720 -1.6211 -0.1526 H 1 UNL1111111111 0.2165 23 H -3.7400 2.2303 -0.0608 H 1 UNL1111111111 0.3647 @BOND 1 2 11 1 2 2 15 1 3 3 4 ar 4 3 16 1 5 4 5 ar 6 4 17 1 7 5 18 1 8 6 5 ar 9 6 9 1 10 7 6 ar 11 7 19 1 12 8 3 ar 13 8 7 ar 14 8 20 1 15 9 1 2 16 9 10 am 17 10 11 1 18 10 21 1 19 11 22 1 20 12 11 1 21 12 13 1 22 13 23 1 23 14 12 2