@MOLECULE (2s)-2-benzyl-4-(3,4-dichlorophenyl)-4-oxobutanoic acid 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.6827 -2.1820 2.1460 Cl 1 UNL11 -0.0326 2 CL 3.1197 -3.2855 -0.7492 Cl 1 UNL11 -0.0339 3 O -4.4126 1.9209 0.8009 O.3 1 UNL11 -0.5620 4 O 0.7527 2.8036 0.8345 O.2 1 UNL11 -0.4156 5 O -3.6805 1.8262 -1.3008 O.2 1 UNL11 -0.5098 6 C -2.0786 1.7675 0.5516 C.3 1 UNL11 -0.1448 7 C -1.9767 0.4931 1.4108 C.3 1 UNL11 -0.2928 8 C -0.9907 1.9133 -0.5174 C.3 1 UNL11 -0.3835 9 C -1.6597 -0.7966 0.7132 C.ar 1 UNL11 0.0128 10 C 0.3744 1.9060 0.1278 C.2 1 UNL11 0.4763 11 C -3.4247 1.8294 -0.1259 C.2 1 UNL11 0.6312 12 C 1.1943 0.6888 -0.1172 C.ar 1 UNL11 -0.1254 13 C -2.1244 -1.1031 -0.5651 C.ar 1 UNL11 -0.1862 14 C -0.8908 -1.7412 1.4048 C.ar 1 UNL11 -0.1881 15 C -1.7846 -2.3156 -1.1638 C.ar 1 UNL11 -0.1308 16 C -0.5617 -2.9557 0.8102 C.ar 1 UNL11 -0.1322 17 C 1.6456 -0.0248 0.9922 C.ar 1 UNL11 -0.1105 18 C 1.4323 0.2281 -1.4127 C.ar 1 UNL11 -0.1081 19 C -0.9983 -3.2409 -0.4826 C.ar 1 UNL11 -0.1636 20 C 2.2507 -1.2593 0.7855 C.ar 1 UNL11 -0.0288 21 C 2.0724 -0.9933 -1.6104 C.ar 1 UNL11 -0.1544 22 C 2.4483 -1.7437 -0.5005 C.ar 1 UNL11 0.0037 23 H -2.0076 2.6504 1.2532 H 1 UNL11 0.1909 24 H -2.9335 0.3592 1.9732 H 1 UNL11 0.1813 25 H -1.2158 0.6822 2.2029 H 1 UNL11 0.1622 26 H -1.0898 1.1142 -1.2829 H 1 UNL11 0.1860 27 H -1.1315 2.8659 -1.0762 H 1 UNL11 0.1862 28 H -2.7596 -0.4060 -1.1102 H 1 UNL11 0.1645 29 H -0.5443 -1.5307 2.4151 H 1 UNL11 0.1539 30 H 1.5048 0.3752 2.0002 H 1 UNL11 0.1855 31 H 1.1075 0.8146 -2.2741 H 1 UNL11 0.1690 32 H -2.1404 -2.5386 -2.1684 H 1 UNL11 0.1511 33 H 0.0398 -3.6834 1.3540 H 1 UNL11 0.1556 34 H -0.7292 -4.1838 -0.9535 H 1 UNL11 0.1533 35 H -5.3214 1.9567 0.4119 H 1 UNL11 0.3591 36 H 2.2528 -1.3627 -2.6217 H 1 UNL11 0.1805 @BOND 1 1 20 1 2 2 22 1 3 3 11 1 4 3 35 1 5 4 10 2 6 5 11 2 7 6 7 1 8 6 8 1 9 6 11 1 10 6 23 1 11 7 9 1 12 7 24 1 13 7 25 1 14 8 10 1 15 8 26 1 16 8 27 1 17 9 13 ar 18 9 14 ar 19 10 12 1 20 12 17 ar 21 12 18 ar 22 13 15 ar 23 13 28 1 24 14 16 ar 25 14 29 1 26 15 19 ar 27 15 32 1 28 16 19 ar 29 16 33 1 30 17 20 ar 31 17 30 1 32 18 21 ar 33 18 31 1 34 19 34 1 35 20 22 ar 36 21 22 ar 37 21 36 1