@MOLECULE (1e)-4-oxo-1-butene-1,2,4-tricarboxylic acid 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0178 0.2028 1.6120 O.2 1 UNL1111111111 -0.3475 2 O -0.6622 -2.4464 -0.4934 O.3 1 UNL1111111111 -0.5471 3 O 1.4171 -2.9578 0.1397 O.2 1 UNL1111111111 -0.4657 4 O -2.7260 1.9418 -0.4517 O.3 1 UNL1111111111 -0.5446 5 O 3.6087 1.4465 0.5152 O.3 1 UNL1111111111 -0.5364 6 O -3.7067 0.0054 0.1067 O.2 1 UNL1111111111 -0.4373 7 O 1.8342 2.1465 -0.6371 O.2 1 UNL1111111111 -0.4971 8 C -0.3520 0.1549 -0.6966 C.3 1 UNL1111111111 -0.3850 9 C 0.8330 -0.6516 -0.2987 C.2 1 UNL1111111111 0.0172 10 C -1.2986 0.3230 0.4553 C.2 1 UNL1111111111 0.4303 11 C 2.0588 -0.1859 -0.0279 C.2 1 UNL1111111111 -0.2048 12 C 0.6147 -2.1208 -0.1765 C.2 1 UNL1111111111 0.6120 13 C -2.7239 0.6846 0.0457 C.2 1 UNL1111111111 0.5284 14 C 2.4228 1.2380 -0.1074 C.2 1 UNL1111111111 0.6397 15 H -0.0657 1.1805 -1.0665 H 1 UNL1111111111 0.2330 16 H -0.8664 -0.3092 -1.5747 H 1 UNL1111111111 0.2044 17 H 2.8775 -0.8556 0.2844 H 1 UNL1111111111 0.2134 18 H -0.8621 -3.4133 -0.3894 H 1 UNL1111111111 0.3664 19 H -3.6237 2.2717 -0.7130 H 1 UNL1111111111 0.3606 20 H 3.8997 2.3947 0.5039 H 1 UNL1111111111 0.3602 @BOND 1 1 10 2 2 2 12 1 3 2 18 1 4 3 12 2 5 4 13 1 6 4 19 1 7 5 14 1 8 5 20 1 9 6 13 2 10 7 14 2 11 8 9 1 12 8 10 1 13 8 15 1 14 8 16 1 15 9 11 2 16 9 12 1 17 10 13 1 18 11 14 1 19 11 17 1