@MOLECULE 3-ethoxyacrolein 15 14 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1366 -0.2429 0.0500 O.2 1 UNL1111111111 -0.3110 2 O -3.4967 -0.3191 0.0065 O.2 1 UNL1111111111 -0.4402 3 C 2.3291 0.5620 0.0555 C.3 1 UNL1111111111 -0.0331 4 C 3.4460 -0.4606 -0.0742 C.3 1 UNL1111111111 -0.4589 5 C -0.0248 0.4470 -0.0086 C.2 1 UNL1111111111 0.1529 6 C -1.1548 -0.2812 0.0233 C.2 1 UNL1111111111 -0.4368 7 C -2.4793 0.3334 -0.0511 C.2 1 UNL1111111111 0.3602 8 H 2.3077 1.2690 -0.7909 H 1 UNL1111111111 0.1242 9 H 2.3712 1.1134 1.0110 H 1 UNL1111111111 0.1271 10 H 4.4314 0.0075 0.0287 H 1 UNL1111111111 0.1564 11 H 3.3618 -1.2410 0.6964 H 1 UNL1111111111 0.1678 12 H 3.4113 -0.9728 -1.0454 H 1 UNL1111111111 0.1633 13 H 0.0349 1.5288 -0.0807 H 1 UNL1111111111 0.1327 14 H -1.1353 -1.3685 0.1052 H 1 UNL1111111111 0.1992 15 H -2.5375 1.4259 -0.1642 H 1 UNL1111111111 0.0963 @BOND 1 1 3 1 2 1 5 1 3 2 7 2 4 3 4 1 5 3 8 1 6 3 9 1 7 4 10 1 8 4 11 1 9 4 12 1 10 5 6 2 11 5 13 1 12 6 7 1 13 6 14 1 14 7 15 1