@MOLECULE (3s)-3,7-dimethyl-1,6-octadien-3-yl (2e)-3-phenylacrylate 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1158 0.7758 -0.2750 O.3 1 UNL1111111111 -0.4671 2 O 0.0017 2.7343 -0.1497 O.2 1 UNL1111111111 -0.5180 3 C -2.4188 1.3825 -0.3903 C.3 1 UNL1111111111 0.3095 4 C -3.3165 0.1320 -0.4838 C.3 1 UNL1111111111 -0.2948 5 C -3.2899 -0.6890 0.8162 C.3 1 UNL1111111111 -0.2578 6 C -2.4687 2.2059 -1.6753 C.3 1 UNL1111111111 -0.5003 7 C -2.7086 2.2188 0.8228 C.2 1 UNL1111111111 -0.1580 8 C -3.6665 -2.1069 0.5327 C.2 1 UNL1111111111 -0.2377 9 C -2.7926 -3.0468 0.1467 C.2 1 UNL1111111111 0.0582 10 C 0.0018 1.5283 -0.1755 C.2 1 UNL1111111111 0.6223 11 C -3.8925 2.7849 1.0495 C.2 1 UNL1111111111 -0.3179 12 C -1.3332 -2.7897 -0.0355 C.3 1 UNL1111111111 -0.4603 13 C -3.2303 -4.4495 -0.1282 C.3 1 UNL1111111111 -0.4613 14 C 1.1709 0.6362 -0.0960 C.2 1 UNL1111111111 -0.2842 15 C 2.4083 1.1496 -0.1051 C.2 1 UNL1111111111 -0.0425 16 C 3.6156 0.3302 -0.0243 C.ar 1 UNL1111111111 -0.0398 17 C 3.6838 -0.9190 -0.6488 C.ar 1 UNL1111111111 -0.1327 18 C 4.7212 0.8105 0.6869 C.ar 1 UNL1111111111 -0.1387 19 C 4.8438 -1.6838 -0.5576 C.ar 1 UNL1111111111 -0.1540 20 C 5.8764 0.0398 0.7822 C.ar 1 UNL1111111111 -0.1512 21 C 5.9394 -1.2066 0.1600 C.ar 1 UNL1111111111 -0.1383 22 H -4.3509 0.4332 -0.7254 H 1 UNL1111111111 0.1485 23 H -2.9729 -0.4960 -1.3307 H 1 UNL1111111111 0.1598 24 H -3.9737 -0.2396 1.5629 H 1 UNL1111111111 0.1412 25 H -2.2824 -0.6364 1.2811 H 1 UNL1111111111 0.1581 26 H -2.0940 1.6332 -2.5309 H 1 UNL1111111111 0.1590 27 H -3.4884 2.5330 -1.9026 H 1 UNL1111111111 0.1571 28 H -1.8470 3.1109 -1.5897 H 1 UNL1111111111 0.1817 29 H -1.8682 2.3397 1.5078 H 1 UNL1111111111 0.1641 30 H -4.7227 -2.3303 0.6529 H 1 UNL1111111111 0.1430 31 H -4.7426 2.6928 0.3924 H 1 UNL1111111111 0.1438 32 H -4.1003 3.3919 1.9174 H 1 UNL1111111111 0.1476 33 H -0.8679 -3.4920 -0.7370 H 1 UNL1111111111 0.1467 34 H -1.1403 -1.7737 -0.4182 H 1 UNL1111111111 0.1706 35 H -0.8010 -2.8784 0.9230 H 1 UNL1111111111 0.1576 36 H -2.6064 -5.1759 0.4104 H 1 UNL1111111111 0.1538 37 H -3.1526 -4.6813 -1.2000 H 1 UNL1111111111 0.1545 38 H -4.2706 -4.6356 0.1679 H 1 UNL1111111111 0.1506 39 H 0.9576 -0.4297 -0.0239 H 1 UNL1111111111 0.1831 40 H 2.5696 2.2352 -0.1643 H 1 UNL1111111111 0.1744 41 H 2.8309 -1.2923 -1.2150 H 1 UNL1111111111 0.1583 42 H 4.6758 1.7847 1.1724 H 1 UNL1111111111 0.1568 43 H 4.8954 -2.6550 -1.0467 H 1 UNL1111111111 0.1512 44 H 6.7332 0.4111 1.3418 H 1 UNL1111111111 0.1523 45 H 6.8450 -1.8059 0.2336 H 1 UNL1111111111 0.1507 @BOND 1 1 3 1 2 1 10 1 3 2 10 2 4 3 4 1 5 3 6 1 6 3 7 1 7 4 5 1 8 4 22 1 9 4 23 1 10 5 8 1 11 5 24 1 12 5 25 1 13 6 26 1 14 6 27 1 15 6 28 1 16 7 11 2 17 7 29 1 18 8 9 2 19 8 30 1 20 9 12 1 21 9 13 1 22 10 14 1 23 11 31 1 24 11 32 1 25 12 33 1 26 12 34 1 27 12 35 1 28 13 36 1 29 13 37 1 30 13 38 1 31 14 15 2 32 14 39 1 33 15 16 1 34 15 40 1 35 16 17 ar 36 16 18 ar 37 17 19 ar 38 17 41 1 39 18 20 ar 40 18 42 1 41 19 21 ar 42 19 43 1 43 20 21 ar 44 20 44 1 45 21 45 1