@MOLECULE aldol 14 13 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6315 1.2614 0.2668 O.3 1 UNL111111111 -0.5741 2 O 1.9416 0.5245 -0.1579 O.2 1 UNL111111111 -0.4572 3 C -0.7996 0.0025 -0.3491 C.3 1 UNL111111111 0.2148 4 C 0.1848 -1.0148 0.2708 C.3 1 UNL111111111 -0.4750 5 C -2.2512 -0.3849 -0.0796 C.3 1 UNL111111111 -0.4771 6 C 1.6109 -0.6256 0.0125 C.2 1 UNL111111111 0.3658 7 H -0.6021 0.1238 -1.4385 H 1 UNL111111111 0.1147 8 H -0.0342 -2.0322 -0.0984 H 1 UNL111111111 0.1680 9 H 0.0170 -1.0496 1.3709 H 1 UNL111111111 0.1921 10 H -2.9283 0.3888 -0.4697 H 1 UNL111111111 0.1667 11 H -2.5149 -1.3371 -0.5456 H 1 UNL111111111 0.1450 12 H -2.4512 -0.4528 0.9970 H 1 UNL111111111 0.1607 13 H 2.3624 -1.4252 -0.0052 H 1 UNL111111111 0.1116 14 H 0.3108 1.5405 0.1947 H 1 UNL111111111 0.3441 @BOND 1 1 3 1 2 1 14 1 3 2 6 2 4 3 4 1 5 3 5 1 6 3 7 1 7 4 6 1 8 4 8 1 9 4 9 1 10 5 10 1 11 5 11 1 12 5 12 1 13 6 13 1