@MOLECULE (2e)-2-(2-methoxy-2-oxoethyl)-2-butenedioic acid 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3631 -0.2680 1.3081 O.2 1 UNL1111111111 -0.4964 2 C -1.5482 -0.1398 0.1275 C.2 1 UNL1111111111 0.6168 3 O -2.7533 -0.3392 -0.4617 O.3 1 UNL1111111111 -0.4052 4 C -3.8068 -0.7534 0.4042 C.3 1 UNL1111111111 -0.1675 5 C -0.5466 0.2445 -0.9271 C.3 1 UNL1111111111 -0.3715 6 C 0.7484 0.6082 -0.2921 C.2 1 UNL1111111111 0.0136 7 C 0.9873 2.0463 0.0044 C.2 1 UNL1111111111 0.6165 8 O -0.0116 2.8283 -0.4746 O.3 1 UNL1111111111 -0.5471 9 O 1.9294 2.5260 0.5784 O.2 1 UNL1111111111 -0.4693 10 C 1.7078 -0.2585 0.0612 C.2 1 UNL1111111111 -0.1985 11 C 1.5985 -1.7089 -0.1653 C.2 1 UNL1111111111 0.6426 12 O 0.8480 -2.3091 -0.8928 O.2 1 UNL1111111111 -0.5024 13 O 2.5232 -2.3669 0.5762 O.3 1 UNL1111111111 -0.5338 14 H -4.6596 -0.8488 -0.2780 H 1 UNL1111111111 0.1476 15 H -3.5567 -1.7133 0.8693 H 1 UNL1111111111 0.1427 16 H -3.9891 0.0081 1.1703 H 1 UNL1111111111 0.1419 17 H -0.4303 -0.6105 -1.6467 H 1 UNL1111111111 0.2228 18 H -0.9580 1.0710 -1.5586 H 1 UNL1111111111 0.2120 19 H 0.1155 3.7914 -0.2721 H 1 UNL1111111111 0.3627 20 H 2.6345 0.0678 0.5603 H 1 UNL1111111111 0.2142 21 H 2.4759 -3.3527 0.4785 H 1 UNL1111111111 0.3583 @BOND 1 1 2 2 2 2 5 1 3 2 3 1 4 4 3 1 5 4 14 1 6 4 15 1 7 4 16 1 8 5 6 1 9 5 17 1 10 5 18 1 11 6 10 2 12 6 7 1 13 7 8 1 14 8 19 1 15 9 7 2 16 10 20 1 17 11 10 1 18 11 13 1 19 12 11 2 20 13 21 1