@MOLECULE 3-benzoylpropionic acid 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0101 -1.9638 0.0047 O.2 1 UNL1111111111 -0.4521 2 O 4.6499 -0.3240 -0.0146 O.3 1 UNL1111111111 -0.5658 3 O 3.4651 1.5624 0.0154 O.2 1 UNL1111111111 -0.5169 4 C 1.0080 0.1801 -0.0009 C.3 1 UNL1111111111 -0.3631 5 C 2.3246 -0.5912 -0.0003 C.3 1 UNL1111111111 -0.3239 6 C -0.1657 -0.7676 0.0016 C.2 1 UNL1111111111 0.4703 7 C -1.5358 -0.2007 0.0001 C.ar 1 UNL1111111111 -0.1711 8 C -1.7805 1.1739 -0.0042 C.ar 1 UNL1111111111 -0.1033 9 C -2.6083 -1.0968 0.0030 C.ar 1 UNL1111111111 -0.0761 10 C 3.4751 0.3591 0.0018 C.2 1 UNL1111111111 0.6457 11 C -3.0903 1.6463 -0.0055 C.ar 1 UNL1111111111 -0.1734 12 C -3.9182 -0.6235 0.0017 C.ar 1 UNL1111111111 -0.1764 13 C -4.1586 0.7493 -0.0024 C.ar 1 UNL1111111111 -0.1032 14 H 0.9555 0.8531 -0.8850 H 1 UNL1111111111 0.1821 15 H 0.9569 0.8556 0.8808 H 1 UNL1111111111 0.1825 16 H 2.3840 -1.2804 0.8750 H 1 UNL1111111111 0.1978 17 H 2.3853 -1.2798 -0.8759 H 1 UNL1111111111 0.1977 18 H -0.9568 1.8878 -0.0065 H 1 UNL1111111111 0.1560 19 H -2.4106 -2.1731 0.0062 H 1 UNL1111111111 0.1734 20 H -3.2814 2.7180 -0.0088 H 1 UNL1111111111 0.1556 21 H -4.7508 -1.3246 0.0039 H 1 UNL1111111111 0.1573 22 H -5.1816 1.1236 -0.0035 H 1 UNL1111111111 0.1505 23 H 5.4490 0.2572 -0.0135 H 1 UNL1111111111 0.3565 @BOND 1 1 6 2 2 2 10 1 3 2 23 1 4 3 10 2 5 4 5 1 6 4 6 1 7 4 14 1 8 4 15 1 9 5 10 1 10 5 16 1 11 5 17 1 12 6 7 1 13 7 8 ar 14 7 9 ar 15 8 11 ar 16 8 18 1 17 9 12 ar 18 9 19 1 19 11 13 ar 20 11 20 1 21 12 13 ar 22 12 21 1 23 13 22 1