@MOLECULE (2z)-4-(ethylamino)-4-oxo-2-butenoic acid 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5514 -1.6867 0.7063 O.2 1 UNL1111111111 -0.5073 2 O 1.6566 1.1574 -0.9557 O.3 1 UNL1111111111 -0.5846 3 O 2.2528 0.8787 1.1754 O.2 1 UNL1111111111 -0.4530 4 N -1.0848 0.0448 -0.6898 N.am 1 UNL1111111111 -0.5874 5 C -2.3899 0.6809 -0.4754 C.3 1 UNL1111111111 -0.0435 6 C -2.3202 1.7837 0.5855 C.3 1 UNL1111111111 -0.4718 7 C -0.7596 -1.1080 -0.0125 C.2 1 UNL1111111111 0.5560 8 C 0.5926 -1.6821 -0.2887 C.2 1 UNL1111111111 -0.1555 9 C 1.7576 -1.0415 -0.2140 C.2 1 UNL1111111111 -0.2182 10 C 1.9206 0.3792 0.1375 C.2 1 UNL1111111111 0.6314 11 H -2.7387 1.0927 -1.4496 H 1 UNL1111111111 0.1348 12 H -3.1305 -0.0979 -0.1655 H 1 UNL1111111111 0.1670 13 H -0.3747 0.5850 -1.1642 H 1 UNL1111111111 0.3241 14 H -1.9524 1.3898 1.5427 H 1 UNL1111111111 0.1652 15 H -1.6577 2.6000 0.2861 H 1 UNL1111111111 0.1451 16 H -3.3132 2.2115 0.7698 H 1 UNL1111111111 0.1546 17 H 0.5393 -2.7523 -0.5266 H 1 UNL1111111111 0.1890 18 H 2.7143 -1.5459 -0.4034 H 1 UNL1111111111 0.1939 19 H 1.8455 2.1185 -0.8152 H 1 UNL1111111111 0.3605 @BOND 1 1 7 2 2 2 10 1 3 2 19 1 4 3 10 2 5 4 5 1 6 4 7 am 7 4 13 1 8 5 6 1 9 5 11 1 10 5 12 1 11 6 14 1 12 6 15 1 13 6 16 1 14 7 8 1 15 8 9 2 16 8 17 1 17 9 10 1 18 9 18 1