@MOLECULE FDBF07659 14 13 0 0 0 SMALL GASTEIGER @ATOM 1 CA 1.1792 -0.0400 0.0373 C.3 1 ALA1 0.0754 2 CB 0.6118 -1.3897 0.4499 C.3 1 ALA1 -0.0400 3 N 0.9224 0.9692 1.0509 N.am 1 ALA1 -0.3088 4 C -0.2383 1.6893 1.0795 C.2 0 UNK0 0.2005 5 O -1.1708 1.5547 0.2973 O.2 0 UNK0 -0.2795 6 C 2.6803 -0.1587 -0.1871 C.2 1 ALA1 0.1401 7 O 3.5245 0.4569 0.4617 O.2 1 ALA1 -0.2991 8 HA 0.7278 0.2828 -0.9075 H 1 ALA1 0.0571 9 HB1 1.0774 -1.7483 1.3753 H 1 ALA1 0.0252 10 HB2 0.7905 -2.1430 -0.3244 H 1 ALA1 0.0252 11 HB3 -0.4675 -1.3268 0.6238 H 1 ALA1 0.0252 12 H 1.6591 1.1697 1.7210 H 1 ALA1 0.1491 13 H -0.2525 2.4241 1.9003 H 0 UNK0 0.1251 14 H 2.9827 -0.8454 -0.9969 H 1 ALA1 0.1046 @BOND 1 1 2 1 2 1 3 1 3 3 4 am 4 4 5 2 5 1 6 1 6 6 7 2 7 1 8 1 8 2 9 1 9 2 10 1 10 2 11 1 11 3 12 1 12 4 13 1 13 6 14 1