@MOLECULE (6-oxo-1-cyclohexen-1-yl)methyl (2e)-2-butenoate 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8561 0.1698 0.1349 O.3 1 UNL1111111111 -0.4293 2 O 2.6560 1.9526 0.6970 O.2 1 UNL1111111111 -0.4606 3 O -2.3388 1.4696 -0.9462 O.2 1 UNL1111111111 -0.5169 4 C 3.6054 -1.5087 0.4423 C.3 1 UNL1111111111 -0.2478 5 C 3.9137 -0.0168 0.3207 C.3 1 UNL1111111111 -0.3775 6 C 2.6338 -1.9524 -0.6602 C.3 1 UNL1111111111 -0.2987 7 C 1.4319 0.1860 -0.2595 C.2 1 UNL1111111111 -0.2051 8 C 2.6511 0.8125 0.2974 C.2 1 UNL1111111111 0.4849 9 C 1.4246 -1.0797 -0.7010 C.2 1 UNL1111111111 -0.0358 10 C 0.2073 1.0405 -0.2797 C.3 1 UNL1111111111 -0.0087 11 C -2.1146 0.5170 -0.2395 C.2 1 UNL1111111111 0.6127 12 C -3.0805 -0.4265 0.3327 C.2 1 UNL1111111111 -0.3294 13 C -4.3914 -0.2542 0.1192 C.2 1 UNL1111111111 0.0123 14 C -5.4296 -1.1548 0.6785 C.3 1 UNL1111111111 -0.4672 15 H 3.1640 -1.7230 1.4367 H 1 UNL1111111111 0.1482 16 H 4.5391 -2.0992 0.3935 H 1 UNL1111111111 0.1403 17 H 4.4908 0.1931 -0.6041 H 1 UNL1111111111 0.1706 18 H 4.5666 0.3189 1.1527 H 1 UNL1111111111 0.1727 19 H 2.3484 -3.0132 -0.5062 H 1 UNL1111111111 0.1519 20 H 3.1398 -1.9257 -1.6505 H 1 UNL1111111111 0.1609 21 H 0.5222 -1.5334 -1.1165 H 1 UNL1111111111 0.1576 22 H -0.0017 1.4562 -1.2859 H 1 UNL1111111111 0.1578 23 H 0.2438 1.8739 0.4526 H 1 UNL1111111111 0.1654 24 H -2.6665 -1.2378 0.9284 H 1 UNL1111111111 0.1826 25 H -4.7656 0.5807 -0.4863 H 1 UNL1111111111 0.1628 26 H -6.0690 -0.6180 1.3989 H 1 UNL1111111111 0.1696 27 H -5.0135 -2.0250 1.2058 H 1 UNL1111111111 0.1609 28 H -6.0942 -1.5410 -0.1101 H 1 UNL1111111111 0.1657 @BOND 1 1 10 1 2 1 11 1 3 2 8 2 4 3 11 2 5 4 5 1 6 4 6 1 7 4 15 1 8 4 16 1 9 5 8 1 10 5 17 1 11 5 18 1 12 6 9 1 13 6 19 1 14 6 20 1 15 7 8 1 16 7 9 2 17 7 10 1 18 9 21 1 19 10 22 1 20 10 23 1 21 11 12 1 22 12 13 2 23 12 24 1 24 13 14 1 25 13 25 1 26 14 26 1 27 14 27 1 28 14 28 1