@MOLECULE FDBF07661 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.0951 -1.8114 -2.3409 C.3 1 LIG1 -0.0630 2 C 2.5703 -0.3809 -2.4193 C.3 1 LIG1 -0.0281 3 C 2.9501 0.5512 -1.2452 C.3 1 LIG1 0.0863 4 C 2.5325 -0.0043 0.1201 C.3 1 LIG1 -0.0371 5 N 2.3862 1.8978 -1.4590 N.am 1 LIG1 -0.3061 6 C 1.0505 2.1862 -1.5026 C.2 1 LIG1 0.2007 7 O 0.1353 1.3789 -1.3925 O.2 1 LIG1 -0.2795 8 C 4.4723 0.7633 -1.2118 C.2 1 LIG1 0.1432 9 O 5.0058 1.8281 -0.8978 O.2 1 LIG1 -0.2988 10 H 2.7204 -2.3880 -3.1933 H 1 LIG1 0.0231 11 H 2.7619 -2.3191 -1.4318 H 1 LIG1 0.0231 12 H 4.1868 -1.8487 -2.3820 H 1 LIG1 0.0231 13 H 1.4787 -0.4431 -2.5009 H 1 LIG1 0.0287 14 H 2.9187 0.0611 -3.3621 H 1 LIG1 0.0287 15 H 2.7789 0.7013 0.9228 H 1 LIG1 0.0254 16 H 3.0465 -0.9421 0.3542 H 1 LIG1 0.0254 17 H 1.4549 -0.1907 0.1677 H 1 LIG1 0.0254 18 H 3.0428 2.6758 -1.4481 H 1 LIG1 0.1494 19 H 0.8657 3.2619 -1.6525 H 1 LIG1 0.1251 20 H 5.0961 -0.1203 -1.4215 H 1 LIG1 0.1049 @BOND 1 1 2 1 2 3 5 1 3 5 6 am 4 6 7 2 5 3 8 1 6 8 9 2 7 3 4 1 8 3 2 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 4 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 6 19 1 19 8 20 1