@MOLECULE (2r)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9971 -1.0086 -0.5412 O.3 1 UNL1111111 -0.5651 2 O -0.6668 -2.3696 1.2566 O.2 1 UNL1111111 -0.4742 3 O -3.6756 0.2225 -1.8396 O.2 1 UNL1111111 -0.5150 4 O 4.9785 -0.1376 -0.2291 O.3 1 UNL1111111 -0.3112 5 C -2.7434 -0.9344 0.1146 C.3 1 UNL1111111 -0.1402 6 C -2.5978 0.1392 1.2160 C.3 1 UNL1111111 -0.2890 7 C -1.4429 -1.2053 -0.6483 C.3 1 UNL1111111 -0.3856 8 C -1.5687 1.1861 0.9103 C.ar 1 UNL1111111 0.0053 9 C -0.3701 -1.6854 0.3031 C.2 1 UNL1111111 0.5020 10 C -3.7878 -0.4853 -0.8740 C.2 1 UNL1111111 0.6298 11 C 1.0306 -1.2849 0.0643 C.ar 1 UNL1111111 -0.2436 12 C -0.4065 1.2536 1.6831 C.ar 1 UNL1111111 -0.1710 13 C -1.7516 2.0889 -0.1386 C.ar 1 UNL1111111 -0.1723 14 C 1.4536 -0.6877 -1.1229 C.ar 1 UNL1111111 -0.0197 15 C 1.9499 -1.4967 1.1043 C.ar 1 UNL1111111 -0.0102 16 C 0.5732 2.2014 1.3961 C.ar 1 UNL1111111 -0.1387 17 C -0.7687 3.0318 -0.4276 C.ar 1 UNL1111111 -0.1391 18 C 0.3967 3.0878 0.3351 C.ar 1 UNL1111111 -0.1610 19 C 2.7748 -0.2807 -1.2824 C.ar 1 UNL1111111 -0.3267 20 C 3.2681 -1.0972 0.9716 C.ar 1 UNL1111111 -0.2846 21 C 3.6688 -0.4839 -0.2289 C.ar 1 UNL1111111 0.2940 22 C 5.4835 0.5193 -1.3846 C.3 1 UNL1111111 -0.2039 23 H -3.0809 -1.8906 0.6082 H 1 UNL1111111 0.1967 24 H -3.5803 0.6180 1.4150 H 1 UNL1111111 0.1620 25 H -2.3424 -0.3824 2.1676 H 1 UNL1111111 0.1722 26 H -1.1314 -0.2859 -1.1913 H 1 UNL1111111 0.1876 27 H -1.6003 -1.9772 -1.4311 H 1 UNL1111111 0.1764 28 H -0.2569 0.5578 2.5073 H 1 UNL1111111 0.1562 29 H -2.6584 2.0514 -0.7436 H 1 UNL1111111 0.1687 30 H 0.7519 -0.5296 -1.9449 H 1 UNL1111111 0.1542 31 H 1.6099 -1.9813 2.0263 H 1 UNL1111111 0.1741 32 H 1.4792 2.2443 1.9971 H 1 UNL1111111 0.1487 33 H -0.9122 3.7263 -1.2530 H 1 UNL1111111 0.1483 34 H 1.1644 3.8215 0.1054 H 1 UNL1111111 0.1465 35 H 3.0883 0.1866 -2.2089 H 1 UNL1111111 0.1673 36 H 3.9919 -1.2472 1.7684 H 1 UNL1111111 0.1772 37 H -5.7302 -0.7425 -1.1470 H 1 UNL1111111 0.3539 38 H 5.4204 -0.1313 -2.2623 H 1 UNL1111111 0.1364 39 H 4.9686 1.4707 -1.5503 H 1 UNL1111111 0.1378 40 H 6.5337 0.6930 -1.1106 H 1 UNL1111111 0.1558 @BOND 1 1 10 1 2 1 37 1 3 2 9 2 4 3 10 2 5 4 21 1 6 4 22 1 7 5 6 1 8 5 7 1 9 5 10 1 10 5 23 1 11 6 8 1 12 6 24 1 13 6 25 1 14 7 9 1 15 7 26 1 16 7 27 1 17 8 12 ar 18 8 13 ar 19 9 11 1 20 11 14 ar 21 11 15 ar 22 12 16 ar 23 12 28 1 24 13 17 ar 25 13 29 1 26 14 19 ar 27 14 30 1 28 15 20 ar 29 15 31 1 30 16 18 ar 31 16 32 1 32 17 18 ar 33 17 33 1 34 18 34 1 35 19 21 ar 36 19 35 1 37 20 21 ar 38 20 36 1 39 22 38 1 40 22 39 1 41 22 40 1