@MOLECULE phenyl (2s)-2-[(n-benzoylglycyl)oxy]propanoate 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0761 -1.4928 -0.5202 O.3 1 UNL111111111 -0.4332 2 O 1.3631 -1.8841 -0.5583 O.3 1 UNL111111111 -0.3999 3 O 0.0459 -0.9921 1.0383 O.2 1 UNL111111111 -0.5009 4 O -3.0776 -2.9014 0.9272 O.2 1 UNL111111111 -0.4705 5 O -3.4552 1.7270 -0.6076 O.2 1 UNL111111111 -0.5014 6 N -2.4952 0.5424 1.0800 N.am 1 UNL111111111 -0.5706 7 C -0.9550 -2.3344 -0.7452 C.3 1 UNL111111111 0.0987 8 C -3.5259 -0.4911 1.0237 C.3 1 UNL111111111 -0.1349 9 C -0.7171 -2.3052 -2.2424 C.3 1 UNL111111111 -0.4550 10 C 0.1661 -1.6461 0.0383 C.2 1 UNL111111111 0.5691 11 C -2.9151 -1.7875 0.5190 C.2 1 UNL111111111 0.5756 12 C -1.1849 2.2352 -0.0719 C.ar 1 UNL111111111 -0.1309 13 C -2.4758 1.5101 0.0717 C.2 1 UNL111111111 0.5800 14 C 2.4837 -1.2188 -0.0915 C.ar 1 UNL111111111 0.2344 15 C -0.6441 2.3413 -1.3537 C.ar 1 UNL111111111 -0.1038 16 C -0.5224 2.7760 1.0283 C.ar 1 UNL111111111 -0.1089 17 C 0.5819 2.9771 -1.5309 C.ar 1 UNL111111111 -0.1607 18 C 0.7016 3.4159 0.8443 C.ar 1 UNL111111111 -0.1587 19 C 3.6284 -2.0054 0.0271 C.ar 1 UNL111111111 -0.2082 20 C 2.4773 0.1543 0.1339 C.ar 1 UNL111111111 -0.2143 21 C 1.2543 3.5117 -0.4323 C.ar 1 UNL111111111 -0.1249 22 C 4.8177 -1.3735 0.3816 C.ar 1 UNL111111111 -0.1117 23 C 3.6790 0.7612 0.4924 C.ar 1 UNL111111111 -0.1081 24 C 4.8428 0.0023 0.6143 C.ar 1 UNL111111111 -0.1797 25 H -1.1273 -3.3655 -0.3504 H 1 UNL111111111 0.1788 26 H -3.9459 -0.6535 2.0475 H 1 UNL111111111 0.1832 27 H -4.3794 -0.1759 0.3674 H 1 UNL111111111 0.2061 28 H -1.5450 -2.7857 -2.7831 H 1 UNL111111111 0.1697 29 H 0.2138 -2.8237 -2.5141 H 1 UNL111111111 0.1747 30 H -0.6449 -1.2756 -2.6234 H 1 UNL111111111 0.1719 31 H -1.6043 0.2326 1.4710 H 1 UNL111111111 0.3308 32 H -1.1863 1.9328 -2.2080 H 1 UNL111111111 0.1662 33 H -0.9583 2.7012 2.0251 H 1 UNL111111111 0.1630 34 H 1.0122 3.0601 -2.5274 H 1 UNL111111111 0.1562 35 H 1.2248 3.8400 1.6991 H 1 UNL111111111 0.1549 36 H 3.5841 -3.0755 -0.1555 H 1 UNL111111111 0.1718 37 H 1.5617 0.7380 0.0424 H 1 UNL111111111 0.1813 38 H 2.2117 4.0107 -0.5736 H 1 UNL111111111 0.1488 39 H 5.7315 -1.9582 0.4808 H 1 UNL111111111 0.1534 40 H 3.7043 1.8341 0.6792 H 1 UNL111111111 0.1530 41 H 5.7763 0.4855 0.8951 H 1 UNL111111111 0.1546 @BOND 1 1 7 1 2 1 11 1 3 2 10 1 4 2 14 1 5 3 10 2 6 4 11 2 7 5 13 2 8 6 8 1 9 6 13 am 10 6 31 1 11 7 9 1 12 7 10 1 13 7 25 1 14 8 11 1 15 8 26 1 16 8 27 1 17 9 28 1 18 9 29 1 19 9 30 1 20 12 13 1 21 12 15 ar 22 12 16 ar 23 14 19 ar 24 14 20 ar 25 15 17 ar 26 15 32 1 27 16 18 ar 28 16 33 1 29 17 21 ar 30 17 34 1 31 18 21 ar 32 18 35 1 33 19 22 ar 34 19 36 1 35 20 23 ar 36 20 37 1 37 21 38 1 38 22 24 ar 39 22 39 1 40 23 24 ar 41 23 40 1 42 24 41 1