@MOLECULE n-acetyl-dl-alanine methylamide 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4931 1.1601 0.8366 O.2 1 UNL1111111111 -0.5420 2 O 2.4809 -0.8215 -0.9901 O.2 1 UNL1111111111 -0.5464 3 N 1.0527 0.3341 0.3233 N.am 1 UNL1111111111 -0.6129 4 N -2.3701 -0.2885 -0.6688 N.am 1 UNL1111111111 -0.5776 5 C -0.0346 -0.6137 0.0861 C.3 1 UNL1111111111 0.0333 6 C -0.0984 -1.6836 1.1822 C.3 1 UNL1111111111 -0.4701 7 C -1.3568 0.1805 0.1306 C.2 1 UNL1111111111 0.5459 8 C 2.2872 0.1347 -0.2669 C.2 1 UNL1111111111 0.6171 9 C -3.6707 0.3837 -0.6771 C.3 1 UNL1111111111 -0.2220 10 C 3.3302 1.1746 0.0303 C.3 1 UNL1111111111 -0.5262 11 H 0.1268 -1.1034 -0.9147 H 1 UNL1111111111 0.1776 12 H -0.9502 -2.3579 1.0371 H 1 UNL1111111111 0.1517 13 H -0.1858 -1.2352 2.1810 H 1 UNL1111111111 0.1647 14 H 0.8178 -2.2924 1.1763 H 1 UNL1111111111 0.1723 15 H 0.8512 1.1053 0.9443 H 1 UNL1111111111 0.3331 16 H -2.2801 -1.1180 -1.2263 H 1 UNL1111111111 0.3108 17 H -4.3528 -0.0572 0.0718 H 1 UNL1111111111 0.1415 18 H -4.1328 0.3086 -1.6753 H 1 UNL1111111111 0.1402 19 H -3.5588 1.4584 -0.4287 H 1 UNL1111111111 0.1722 20 H 4.2971 0.8694 -0.4049 H 1 UNL1111111111 0.1869 21 H 3.0675 2.1463 -0.4110 H 1 UNL1111111111 0.1779 22 H 3.4836 1.3184 1.1077 H 1 UNL1111111111 0.1722 @BOND 1 1 7 2 2 2 8 2 3 3 5 1 4 3 8 am 5 3 15 1 6 4 7 am 7 4 9 1 8 4 16 1 9 5 6 1 10 5 7 1 11 5 11 1 12 6 12 1 13 6 13 1 14 6 14 1 15 8 10 1 16 9 17 1 17 9 18 1 18 9 19 1 19 10 20 1 20 10 21 1 21 10 22 1