@MOLECULE butyl (2e)-3-phenylacrylate 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9450 -0.0241 0.0215 O.3 1 UNL1111111111 -0.4278 2 O -1.0814 2.0321 -0.2547 O.2 1 UNL1111111111 -0.5173 3 C -4.2014 -0.6498 0.1149 C.3 1 UNL1111111111 -0.2989 4 C -5.6520 -0.1589 0.0486 C.3 1 UNL1111111111 -0.2464 5 C -3.2602 0.5453 -0.0438 C.3 1 UNL1111111111 -0.0146 6 C -6.6509 -1.3100 0.1601 C.3 1 UNL1111111111 -0.4372 7 C 2.8406 0.1803 -0.0421 C.ar 1 UNL1111111111 -0.0432 8 C -0.9115 0.8469 -0.0975 C.2 1 UNL1111111111 0.6094 9 C 1.5231 0.8057 -0.1118 C.2 1 UNL1111111111 -0.0385 10 C 0.3679 0.1320 -0.0085 C.2 1 UNL1111111111 -0.2898 11 C 3.0155 -1.1844 -0.2941 C.ar 1 UNL1111111111 -0.1249 12 C 3.9551 0.9679 0.2766 C.ar 1 UNL1111111111 -0.1308 13 C 4.2831 -1.7568 -0.2180 C.ar 1 UNL1111111111 -0.1570 14 C 5.2204 0.3930 0.3511 C.ar 1 UNL1111111111 -0.1562 15 C 5.3865 -0.9699 0.1053 C.ar 1 UNL1111111111 -0.1318 16 H -4.0002 -1.1698 1.0709 H 1 UNL1111111111 0.1531 17 H -4.0027 -1.3987 -0.6753 H 1 UNL1111111111 0.1529 18 H -5.8209 0.3837 -0.9007 H 1 UNL1111111111 0.1369 19 H -5.8368 0.5734 0.8586 H 1 UNL1111111111 0.1371 20 H -3.3751 1.0539 -1.0166 H 1 UNL1111111111 0.1354 21 H -3.3633 1.2830 0.7705 H 1 UNL1111111111 0.1354 22 H -6.5202 -2.0363 -0.6494 H 1 UNL1111111111 0.1437 23 H -6.5461 -1.8501 1.1072 H 1 UNL1111111111 0.1437 24 H -7.6827 -0.9401 0.1074 H 1 UNL1111111111 0.1420 25 H 1.5186 1.8966 -0.2524 H 1 UNL1111111111 0.1738 26 H 0.3040 -0.9441 0.1470 H 1 UNL1111111111 0.1833 27 H 2.1593 -1.8062 -0.5585 H 1 UNL1111111111 0.1568 28 H 3.8325 2.0332 0.4722 H 1 UNL1111111111 0.1560 29 H 4.4108 -2.8198 -0.4131 H 1 UNL1111111111 0.1518 30 H 6.0836 1.0072 0.6010 H 1 UNL1111111111 0.1525 31 H 6.3772 -1.4171 0.1642 H 1 UNL1111111111 0.1506 @BOND 1 1 5 1 2 1 8 1 3 2 8 2 4 3 4 1 5 3 5 1 6 3 16 1 7 3 17 1 8 4 6 1 9 4 18 1 10 4 19 1 11 5 20 1 12 5 21 1 13 6 22 1 14 6 23 1 15 6 24 1 16 7 9 1 17 7 11 ar 18 7 12 ar 19 8 10 1 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