@MOLECULE (3e)-3-hexen-1-yl (2e)-3-phenylacrylate 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6585 -1.1411 0.3318 O.3 1 UNL111111111 -0.4125 2 O -0.4360 -2.8119 -0.5366 O.2 1 UNL111111111 -0.5194 3 C -3.9695 -1.1095 0.7288 C.3 1 UNL111111111 -0.3024 4 C -2.8296 -1.9544 0.1605 C.3 1 UNL111111111 -0.0094 5 C -4.2096 0.1135 -0.0956 C.2 1 UNL111111111 -0.1577 6 C -4.4568 2.5730 -0.3756 C.3 1 UNL111111111 -0.2631 7 C -4.1992 1.3407 0.4315 C.2 1 UNL111111111 -0.1543 8 C -3.1296 3.1217 -0.9087 C.3 1 UNL111111111 -0.4256 9 C 3.0289 -0.2101 -0.0412 C.ar 1 UNL111111111 -0.0416 10 C 1.8737 -1.0903 -0.1970 C.2 1 UNL111111111 -0.0391 11 C -0.4893 -1.6945 -0.0818 C.2 1 UNL111111111 0.6035 12 C 3.0063 0.8720 0.8454 C.ar 1 UNL111111111 -0.1250 13 C 4.1879 -0.4617 -0.7871 C.ar 1 UNL111111111 -0.1324 14 C 0.6155 -0.7450 0.1133 C.2 1 UNL111111111 -0.2869 15 C 4.1242 1.6949 0.9747 C.ar 1 UNL111111111 -0.1577 16 C 5.3010 0.3635 -0.6540 C.ar 1 UNL111111111 -0.1559 17 C 5.2716 1.4448 0.2262 C.ar 1 UNL111111111 -0.1326 18 H -4.8987 -1.7176 0.7743 H 1 UNL111111111 0.1562 19 H -3.7347 -0.8448 1.7814 H 1 UNL111111111 0.1590 20 H -2.6908 -2.8934 0.7279 H 1 UNL111111111 0.1354 21 H -2.9477 -2.1792 -0.9133 H 1 UNL111111111 0.1380 22 H -4.3930 -0.0661 -1.1530 H 1 UNL111111111 0.1457 23 H -5.1447 2.3680 -1.2199 H 1 UNL111111111 0.1409 24 H -4.9670 3.3410 0.2391 H 1 UNL111111111 0.1383 25 H -3.9839 1.5182 1.4827 H 1 UNL111111111 0.1416 26 H -3.2802 4.0439 -1.4755 H 1 UNL111111111 0.1384 27 H -2.6408 2.3945 -1.5692 H 1 UNL111111111 0.1497 28 H -2.4303 3.3379 -0.0928 H 1 UNL111111111 0.1448 29 H 2.0880 -2.0889 -0.6032 H 1 UNL111111111 0.1725 30 H 2.1168 1.0718 1.4443 H 1 UNL111111111 0.1579 31 H 4.2219 -1.3029 -1.4785 H 1 UNL111111111 0.1558 32 H 0.3318 0.2302 0.5071 H 1 UNL111111111 0.1837 33 H 4.0972 2.5351 1.6649 H 1 UNL111111111 0.1512 34 H 6.1981 0.1627 -1.2376 H 1 UNL111111111 0.1522 35 H 6.1431 2.0899 0.3294 H 1 UNL111111111 0.1508 @BOND 1 1 4 1 2 1 11 1 3 2 11 2 4 3 4 1 5 3 5 1 6 3 18 1 7 3 19 1 8 4 20 1 9 4 21 1 10 5 7 2 11 5 22 1 12 6 7 1 13 6 8 1 14 6 23 1 15 6 24 1 16 7 25 1 17 8 26 1 18 8 27 1 19 8 28 1 20 9 10 1 21 9 12 ar 22 9 13 ar 23 10 14 2 24 10 29 1 25 11 14 1 26 12 15 ar 27 12 30 1 28 13 16 ar 29 13 31 1 30 14 32 1 31 15 17 ar 32 15 33 1 33 16 17 ar 34 16 34 1 35 17 35 1