@MOLECULE .beta.-(o-methoxyphenyl)acrolein 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1265 -1.8423 0.4920 O.3 1 UNL1111111111 -0.3619 2 O 4.4960 0.3042 -0.3596 O.2 1 UNL1111111111 -0.4324 3 C -0.2755 0.3577 0.2318 C.ar 1 UNL1111111111 -0.1104 4 C -1.3675 -0.5231 0.1952 C.ar 1 UNL1111111111 0.2207 5 C -0.5293 1.7214 0.0592 C.ar 1 UNL1111111111 -0.1005 6 C -2.6703 -0.0813 -0.0265 C.ar 1 UNL1111111111 -0.2351 7 C -1.8272 2.1791 -0.1530 C.ar 1 UNL1111111111 -0.1875 8 C -2.8947 1.2820 -0.1977 C.ar 1 UNL1111111111 -0.0985 9 C 1.0695 -0.1579 0.4567 C.2 1 UNL1111111111 -0.0470 10 C 2.1678 0.3853 -0.0860 C.2 1 UNL1111111111 -0.3158 11 C -1.1855 -2.6945 -0.6477 C.3 1 UNL1111111111 -0.1874 12 C 3.5123 -0.1639 0.1664 C.2 1 UNL1111111111 0.3421 13 H 0.2967 2.4329 0.0994 H 1 UNL1111111111 0.1620 14 H -3.4921 -0.7927 -0.0465 H 1 UNL1111111111 0.1690 15 H -2.0102 3.2445 -0.2821 H 1 UNL1111111111 0.1592 16 H -3.9074 1.6487 -0.3621 H 1 UNL1111111111 0.1546 17 H 1.1202 -1.0457 1.0997 H 1 UNL1111111111 0.1666 18 H 2.1388 1.2513 -0.7478 H 1 UNL1111111111 0.1793 19 H -0.3762 -2.4474 -1.3427 H 1 UNL1111111111 0.1333 20 H -2.1598 -2.6354 -1.1403 H 1 UNL1111111111 0.1295 21 H -1.0320 -3.6902 -0.2116 H 1 UNL1111111111 0.1522 22 H 3.6052 -1.0164 0.8526 H 1 UNL1111111111 0.1079 @BOND 1 1 4 1 2 1 11 1 3 2 12 2 4 3 4 ar 5 3 5 ar 6 3 9 1 7 4 6 ar 8 5 7 ar 9 5 13 1 10 6 8 ar 11 6 14 1 12 7 8 ar 13 7 15 1 14 8 16 1 15 9 10 2 16 9 17 1 17 10 12 1 18 10 18 1 19 11 19 1 20 11 20 1 21 11 21 1 22 12 22 1