@MOLECULE isobutyric acid, cinnamyl ester 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9150 0.0487 0.0257 O.3 1 UNL1111111111 -0.4400 2 O 3.5531 -1.4566 0.3053 O.2 1 UNL1111111111 -0.5101 3 C 4.0871 0.8512 -0.3155 C.3 1 UNL1111111111 -0.1360 4 C 4.8773 1.2406 0.9344 C.3 1 UNL1111111111 -0.4423 5 C 5.0093 0.4409 -1.4626 C.3 1 UNL1111111111 -0.4424 6 C 3.2176 -0.3329 0.0388 C.2 1 UNL1111111111 0.5954 7 C 0.9498 -0.9600 0.3561 C.3 1 UNL1111111111 -0.0247 8 C -2.8327 -0.3194 0.1641 C.ar 1 UNL1111111111 0.0058 9 C -0.3730 -0.3224 0.1041 C.2 1 UNL1111111111 -0.1484 10 C -1.5265 -0.9304 0.4035 C.2 1 UNL1111111111 -0.1889 11 C -3.0384 1.0462 0.3847 C.ar 1 UNL1111111111 -0.1603 12 C -3.8955 -1.1142 -0.2803 C.ar 1 UNL1111111111 -0.1616 13 C -4.2896 1.6115 0.1521 C.ar 1 UNL1111111111 -0.1422 14 C -5.1443 -0.5446 -0.5154 C.ar 1 UNL1111111111 -0.1427 15 C -5.3425 0.8188 -0.3002 C.ar 1 UNL1111111111 -0.1550 16 H 3.4483 1.7140 -0.6372 H 1 UNL1111111111 0.1678 17 H 5.5553 2.0771 0.7273 H 1 UNL1111111111 0.1542 18 H 5.4899 0.4048 1.3007 H 1 UNL1111111111 0.1629 19 H 4.2153 1.5483 1.7531 H 1 UNL1111111111 0.1520 20 H 5.7123 1.2440 -1.7129 H 1 UNL1111111111 0.1532 21 H 4.4446 0.2016 -2.3719 H 1 UNL1111111111 0.1516 22 H 5.6030 -0.4477 -1.2034 H 1 UNL1111111111 0.1654 23 H 1.1029 -1.2436 1.4155 H 1 UNL1111111111 0.1486 24 H 1.1259 -1.8489 -0.2826 H 1 UNL1111111111 0.1533 25 H -0.3269 0.6712 -0.3470 H 1 UNL1111111111 0.1714 26 H -1.5539 -1.9306 0.8408 H 1 UNL1111111111 0.1588 27 H -2.2202 1.6667 0.7457 H 1 UNL1111111111 0.1545 28 H -3.7435 -2.1779 -0.4490 H 1 UNL1111111111 0.1527 29 H -4.4447 2.6748 0.3246 H 1 UNL1111111111 0.1491 30 H -5.9668 -1.1646 -0.8670 H 1 UNL1111111111 0.1490 31 H -6.3185 1.2620 -0.4838 H 1 UNL1111111111 0.1490 @BOND 1 1 6 1 2 1 7 1 3 2 6 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 16 1 8 4 17 1 9 4 18 1 10 4 19 1 11 5 20 1 12 5 21 1 13 5 22 1 14 7 9 1 15 7 23 1 16 7 24 1 17 8 10 1 18 8 11 ar 19 8 12 ar 20 9 10 2 21 9 25 1 22 10 26 1 23 11 13 ar 24 11 27 1 25 12 14 ar 26 12 28 1 27 13 15 ar 28 13 29 1 29 14 15 ar 30 14 30 1 31 15 31 1