@MOLECULE ethyl (2e)-4-oxo-2-pentenoate 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9254 -0.3719 -0.0356 O.3 1 UNL1111111111 -0.4144 2 O -1.0588 1.6986 0.0644 O.2 1 UNL1111111111 -0.5000 3 O 2.8980 -1.4834 0.1008 O.2 1 UNL1111111111 -0.4273 4 C -3.2464 0.1958 0.0085 C.3 1 UNL1111111111 0.0065 5 C -4.1645 -1.0131 -0.0434 C.3 1 UNL1111111111 -0.4621 6 C -0.8970 0.5045 0.0032 C.2 1 UNL1111111111 0.5818 7 C 0.3864 -0.2255 -0.0450 C.2 1 UNL1111111111 -0.1734 8 C 1.5393 0.4381 0.0728 C.2 1 UNL1111111111 -0.2091 9 C 2.8403 -0.2811 0.0200 C.2 1 UNL1111111111 0.4782 10 C 4.0617 0.5695 -0.1389 C.3 1 UNL1111111111 -0.5458 11 H -3.3462 0.7767 0.9423 H 1 UNL1111111111 0.1351 12 H -3.3659 0.8694 -0.8582 H 1 UNL1111111111 0.1348 13 H -5.2176 -0.7113 -0.0141 H 1 UNL1111111111 0.1551 14 H -4.0050 -1.5983 -0.9592 H 1 UNL1111111111 0.1614 15 H -3.9826 -1.6901 0.8025 H 1 UNL1111111111 0.1620 16 H 0.3284 -1.3124 -0.1732 H 1 UNL1111111111 0.1989 17 H 1.5813 1.5220 0.2053 H 1 UNL1111111111 0.1818 18 H 4.2138 1.2216 0.7328 H 1 UNL1111111111 0.1780 19 H 3.9972 1.2138 -1.0267 H 1 UNL1111111111 0.1769 20 H 4.9687 -0.0460 -0.2455 H 1 UNL1111111111 0.1815 @BOND 1 1 4 1 2 1 6 1 3 2 6 2 4 3 9 2 5 4 5 1 6 4 11 1 7 4 12 1 8 5 13 1 9 5 14 1 10 5 15 1 11 6 7 1 12 7 8 2 13 7 16 1 14 8 9 1 15 8 17 1 16 9 10 1 17 10 18 1 18 10 19 1 19 10 20 1