@MOLECULE (1s)-2-methyl-4-oxo-3-[(2z)-2,4-pentadien-1-yl]-2-cyclopenten-1-yl (1r,3r)-3-[(1e)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate 55 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9442 -1.2848 -0.1847 O.3 1 UNL1111111111 -0.4244 2 O -0.0698 -1.1629 -2.1890 O.2 1 UNL1111111111 -0.5205 3 O -7.1176 0.3653 0.5230 O.3 1 UNL1111111111 -0.3965 4 O -5.7341 -0.5439 2.0388 O.2 1 UNL1111111111 -0.5087 5 O 4.5620 -3.0744 1.5592 O.2 1 UNL1111111111 -0.4354 6 C -1.6387 1.1600 -0.7739 C.3 1 UNL1111111111 0.1122 7 C -2.4938 -0.1011 -0.7580 C.3 1 UNL1111111111 -0.1724 8 C -1.0668 -0.1555 -0.2292 C.3 1 UNL1111111111 -0.3228 9 C -1.9042 2.2500 0.2314 C.3 1 UNL1111111111 -0.4490 10 C -1.1747 1.6866 -2.1044 C.3 1 UNL1111111111 -0.4665 11 C -3.6130 -0.2352 0.1855 C.2 1 UNL1111111111 -0.0828 12 C -0.0629 -0.8997 -1.0130 C.2 1 UNL1111111111 0.6290 13 C -4.8744 0.1172 -0.1078 C.2 1 UNL1111111111 -0.1003 14 C 2.0890 -1.9089 -0.7626 C.3 1 UNL1111111111 0.1119 15 C -5.3356 0.6876 -1.3979 C.3 1 UNL1111111111 -0.4306 16 C 2.5303 -2.9814 0.2501 C.3 1 UNL1111111111 -0.4231 17 C 3.2039 -0.8686 -0.7627 C.2 1 UNL1111111111 0.0461 18 C -5.9007 -0.0743 0.9395 C.2 1 UNL1111111111 0.5833 19 C 4.1851 -1.2007 0.0964 C.2 1 UNL1111111111 -0.1733 20 C 3.8759 -2.4956 0.7640 C.2 1 UNL1111111111 0.4780 21 C 3.0955 0.3133 -1.6307 C.3 1 UNL1111111111 -0.4565 22 C 5.4231 -0.4581 0.4270 C.3 1 UNL1111111111 -0.2726 23 C 5.0904 0.8828 1.0010 C.2 1 UNL1111111111 -0.1085 24 C -8.1776 0.2282 1.4649 C.3 1 UNL1111111111 -0.1736 25 C 5.6631 2.0183 0.5801 C.2 1 UNL1111111111 -0.2066 26 C 5.3225 3.3159 1.1492 C.2 1 UNL1111111111 -0.1170 27 C 5.8645 4.4583 0.7165 C.2 1 UNL1111111111 -0.3186 28 H -2.6850 -0.5932 -1.7291 H 1 UNL1111111111 0.1909 29 H -0.9069 -0.2268 0.8583 H 1 UNL1111111111 0.2016 30 H -2.2266 1.8611 1.2066 H 1 UNL1111111111 0.1597 31 H -2.6966 2.9263 -0.1185 H 1 UNL1111111111 0.1603 32 H -1.0055 2.8574 0.4054 H 1 UNL1111111111 0.1583 33 H -1.9301 2.3455 -2.5536 H 1 UNL1111111111 0.1588 34 H -0.9766 0.8865 -2.8353 H 1 UNL1111111111 0.1759 35 H -0.2480 2.2673 -2.0073 H 1 UNL1111111111 0.1574 36 H -3.3623 -0.6589 1.1669 H 1 UNL1111111111 0.1774 37 H 1.8634 -2.3105 -1.7717 H 1 UNL1111111111 0.1654 38 H -6.0738 0.0281 -1.8835 H 1 UNL1111111111 0.1682 39 H -5.8364 1.6587 -1.2525 H 1 UNL1111111111 0.1662 40 H -4.5179 0.8502 -2.1131 H 1 UNL1111111111 0.1588 41 H 1.8047 -3.0760 1.0829 H 1 UNL1111111111 0.1986 42 H 2.6059 -3.9867 -0.1951 H 1 UNL1111111111 0.1810 43 H 2.0890 0.7607 -1.5914 H 1 UNL1111111111 0.1670 44 H 3.8111 1.1055 -1.3532 H 1 UNL1111111111 0.1736 45 H 3.2863 0.0581 -2.6863 H 1 UNL1111111111 0.1717 46 H 6.0357 -1.0308 1.1696 H 1 UNL1111111111 0.1830 47 H 6.0750 -0.3739 -0.4708 H 1 UNL1111111111 0.1598 48 H 4.3406 0.8666 1.7920 H 1 UNL1111111111 0.1527 49 H -8.3379 -0.8289 1.7024 H 1 UNL1111111111 0.1421 50 H -9.0353 0.6539 0.9322 H 1 UNL1111111111 0.1451 51 H -7.9523 0.7916 2.3766 H 1 UNL1111111111 0.1414 52 H 6.4138 2.0224 -0.2102 H 1 UNL1111111111 0.1516 53 H 4.5900 3.3088 1.9595 H 1 UNL1111111111 0.1448 54 H 5.6196 5.4242 1.1282 H 1 UNL1111111111 0.1433 55 H 6.5928 4.5154 -0.0766 H 1 UNL1111111111 0.1444 @BOND 1 1 12 1 2 1 14 1 3 2 12 2 4 3 18 1 5 3 24 1 6 4 18 2 7 5 20 2 8 6 7 1 9 6 8 1 10 6 9 1 11 6 10 1 12 7 8 1 13 7 11 1 14 7 28 1 15 8 12 1 16 8 29 1 17 9 30 1 18 9 31 1 19 9 32 1 20 10 33 1 21 10 34 1 22 10 35 1 23 11 13 2 24 11 36 1 25 13 15 1 26 13 18 1 27 14 16 1 28 14 17 1 29 14 37 1 30 15 38 1 31 15 39 1 32 15 40 1 33 16 20 1 34 16 41 1 35 16 42 1 36 17 19 2 37 17 21 1 38 19 20 1 39 19 22 1 40 21 43 1 41 21 44 1 42 21 45 1 43 22 23 1 44 22 46 1 45 22 47 1 46 23 25 2 47 23 48 1 48 24 49 1 49 24 50 1 50 24 51 1 51 25 26 1 52 25 52 1 53 26 27 2 54 26 53 1 55 27 54 1 56 27 55 1