@MOLECULE (5s)-5-amino-1,3-cyclohexadiene-1-carboxylic acid 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2195 1.4714 0.1041 O.3 1 UNL1111111111 -0.5600 2 O 2.9397 -0.6184 -0.1457 O.2 1 UNL1111111111 -0.5042 3 N -2.8886 1.3805 0.0614 N.3 1 UNL1111111111 -0.6534 4 C -1.8067 0.4877 -0.3983 C.3 1 UNL1111111111 0.0484 5 C -0.4118 0.9078 0.1383 C.3 1 UNL1111111111 -0.3128 6 C 0.5776 -0.2047 0.0403 C.2 1 UNL1111111111 -0.1397 7 C -2.1512 -0.9305 -0.0235 C.2 1 UNL1111111111 -0.0990 8 C 0.2056 -1.5002 0.0493 C.2 1 UNL1111111111 -0.0526 9 C -1.1986 -1.8592 0.1476 C.2 1 UNL1111111111 -0.2163 10 C 2.0045 0.1320 -0.0168 C.2 1 UNL1111111111 0.6343 11 H -1.7903 0.5416 -1.5263 H 1 UNL1111111111 0.1599 12 H -0.4842 1.2323 1.1991 H 1 UNL1111111111 0.1619 13 H -0.0610 1.8047 -0.4145 H 1 UNL1111111111 0.1696 14 H -3.2166 -1.1469 0.0500 H 1 UNL1111111111 0.1649 15 H 0.9362 -2.3124 -0.0075 H 1 UNL1111111111 0.1725 16 H -1.4318 -2.8982 0.3706 H 1 UNL1111111111 0.1611 17 H -2.7563 2.3293 -0.2477 H 1 UNL1111111111 0.2556 18 H -2.9934 1.3721 1.0628 H 1 UNL1111111111 0.2530 19 H 3.1789 1.7125 0.0726 H 1 UNL1111111111 0.3566 @BOND 1 1 10 1 2 1 19 1 3 2 10 2 4 3 4 1 5 3 17 1 6 3 18 1 7 4 5 1 8 4 7 1 9 4 11 1 10 5 6 1 11 5 12 1 12 5 13 1 13 6 8 2 14 6 10 1 15 7 9 2 16 7 14 1 17 8 9 1 18 8 15 1 19 9 16 1