@MOLECULE (e)-b-(4-methoxybenzoyl)-b-bromoacrylic acid 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.3063 1.6710 0.3242 Br 1 UNL1111111111 0.0077 2 O 4.8354 0.2237 0.1797 O.3 1 UNL1111111111 -0.3074 3 O -0.9374 -0.0845 -2.2676 O.2 1 UNL1111111111 -0.3918 4 O -2.2973 -3.3965 1.0228 O.3 1 UNL1111111111 -0.5468 5 O -0.6429 -2.7942 -0.3497 O.2 1 UNL1111111111 -0.4732 6 C 0.8146 0.0363 -0.6920 C.ar 1 UNL1111111111 -0.2328 7 C 1.1874 0.1904 0.6447 C.ar 1 UNL1111111111 -0.0144 8 C 1.7994 -0.0578 -1.6896 C.ar 1 UNL1111111111 0.0088 9 C 3.4957 0.1694 -0.0065 C.ar 1 UNL1111111111 0.3011 10 C 2.5300 0.2617 1.0000 C.ar 1 UNL1111111111 -0.3288 11 C 3.1410 0.0095 -1.3586 C.ar 1 UNL1111111111 -0.2832 12 C -0.5880 -0.0502 -1.1133 C.2 1 UNL1111111111 0.4668 13 C -1.6332 -0.0576 -0.0390 C.2 1 UNL1111111111 -0.0463 14 C -2.1056 -1.1237 0.6030 C.2 1 UNL1111111111 -0.2583 15 C 5.3105 0.3602 1.5131 C.3 1 UNL1111111111 -0.2048 16 C -1.5754 -2.4710 0.3382 C.2 1 UNL1111111111 0.6330 17 H 0.4296 0.2555 1.4275 H 1 UNL1111111111 0.1514 18 H 1.4920 -0.1887 -2.7337 H 1 UNL1111111111 0.1772 19 H 2.8090 0.3824 2.0405 H 1 UNL1111111111 0.1666 20 H 3.9188 -0.0636 -2.1150 H 1 UNL1111111111 0.1796 21 H -2.9044 -1.0823 1.3530 H 1 UNL1111111111 0.2047 22 H 5.0089 -0.4950 2.1259 H 1 UNL1111111111 0.1384 23 H 4.9796 1.3070 1.9507 H 1 UNL1111111111 0.1364 24 H 6.4005 0.3639 1.3693 H 1 UNL1111111111 0.1577 25 H -1.9877 -4.3251 0.8690 H 1 UNL1111111111 0.3585 @BOND 1 1 13 1 2 2 9 1 3 2 15 1 4 3 12 2 5 4 16 1 6 4 25 1 7 5 16 2 8 6 7 ar 9 6 8 ar 10 6 12 1 11 7 10 ar 12 7 17 1 13 8 11 ar 14 8 18 1 15 9 10 ar 16 9 11 ar 17 10 19 1 18 11 20 1 19 12 13 1 20 13 14 2 21 14 16 1 22 14 21 1 23 15 22 1 24 15 23 1 25 15 24 1