@MOLECULE ethyl 2,3-butadienoate 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0985 0.4257 -0.0669 O.3 1 UNL1111111111 -0.4262 2 O 0.1949 -1.4081 0.0304 O.2 1 UNL1111111111 -0.5111 3 C -2.2570 -0.4243 -0.0741 C.3 1 UNL1111111111 0.0078 4 C -3.4214 0.5356 0.1082 C.3 1 UNL1111111111 -0.4621 5 C 0.1018 -0.2062 -0.0185 C.2 1 UNL1111111111 0.6270 6 C 1.1830 0.7852 -0.0338 C.2 1 UNL1111111111 -0.3604 7 C 2.4370 0.4134 0.0049 C.1 1 UNL1111111111 0.1675 8 C 3.6827 0.0502 0.0438 C.2 1 UNL1111111111 -0.3683 9 H -2.2789 -0.9536 -1.0427 H 1 UNL1111111111 0.1319 10 H -2.1741 -1.1604 0.7455 H 1 UNL1111111111 0.1382 11 H -4.3806 0.0113 0.0350 H 1 UNL1111111111 0.1532 12 H -3.3794 1.0339 1.0855 H 1 UNL1111111111 0.1582 13 H -3.4079 1.3264 -0.6541 H 1 UNL1111111111 0.1603 14 H 0.8785 1.8353 -0.0784 H 1 UNL1111111111 0.2073 15 H 4.2767 -0.1589 -0.8388 H 1 UNL1111111111 0.1884 16 H 4.2399 -0.0913 0.9631 H 1 UNL1111111111 0.1885 @BOND 1 1 3 1 2 1 5 1 3 2 5 2 4 3 4 1 5 3 9 1 6 3 10 1 7 4 11 1 8 4 12 1 9 4 13 1 10 5 6 1 11 6 7 2 12 6 14 1 13 7 8 2 14 8 15 1 15 8 16 1