@MOLECULE 3-phenylpropyl beta-phenylacrylate 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0488 0.6739 -0.0641 O.3 1 UNL111111111 -0.4248 2 O 1.1806 2.5396 -0.2769 O.2 1 UNL111111111 -0.5171 3 C -3.7228 1.1870 -0.1148 C.3 1 UNL111111111 -0.2867 4 C -2.3705 0.4667 -0.0363 C.3 1 UNL111111111 -0.2882 5 C -4.8306 0.1843 -0.0004 C.ar 1 UNL111111111 0.0195 6 C -1.2330 1.4787 -0.1539 C.3 1 UNL111111111 -0.0124 7 C -5.3524 -0.4169 -1.1479 C.ar 1 UNL111111111 -0.1791 8 C -5.3336 -0.1636 1.2549 C.ar 1 UNL111111111 -0.1787 9 C -6.3716 -1.3601 -1.0401 C.ar 1 UNL111111111 -0.1354 10 C -6.3525 -1.1076 1.3591 C.ar 1 UNL111111111 -0.1353 11 C -6.8730 -1.7064 0.2130 C.ar 1 UNL111111111 -0.1652 12 C 1.1301 1.3412 -0.1396 C.2 1 UNL111111111 0.6078 13 C 4.6757 -0.0425 -0.0370 C.ar 1 UNL111111111 -0.0404 14 C 2.2494 0.3970 -0.0318 C.2 1 UNL111111111 -0.2880 15 C 3.5118 0.8363 -0.1341 C.2 1 UNL111111111 -0.0399 16 C 4.6582 -1.3255 -0.5934 C.ar 1 UNL111111111 -0.1312 17 C 5.8251 0.4133 0.6186 C.ar 1 UNL111111111 -0.1365 18 C 5.7785 -2.1453 -0.4899 C.ar 1 UNL111111111 -0.1524 19 C 6.9398 -0.4135 0.7274 C.ar 1 UNL111111111 -0.1515 20 C 6.9181 -1.6927 0.1727 C.ar 1 UNL111111111 -0.1370 21 H -3.7991 1.9501 0.6868 H 1 UNL111111111 0.1522 22 H -3.8015 1.7536 -1.0653 H 1 UNL111111111 0.1519 23 H -2.2887 -0.2963 -0.8356 H 1 UNL111111111 0.1580 24 H -2.2845 -0.0979 0.9131 H 1 UNL111111111 0.1586 25 H -1.2260 2.0102 -1.1213 H 1 UNL111111111 0.1356 26 H -1.2230 2.2144 0.6690 H 1 UNL111111111 0.1359 27 H -4.9612 -0.1504 -2.1273 H 1 UNL111111111 0.1523 28 H -4.9286 0.3002 2.1519 H 1 UNL111111111 0.1527 29 H -6.7765 -1.8268 -1.9364 H 1 UNL111111111 0.1479 30 H -6.7433 -1.3784 2.3383 H 1 UNL111111111 0.1478 31 H -7.6687 -2.4428 0.2971 H 1 UNL111111111 0.1492 32 H 1.9843 -0.6461 0.1392 H 1 UNL111111111 0.1861 33 H 3.7293 1.9024 -0.2900 H 1 UNL111111111 0.1751 34 H 3.7701 -1.6810 -1.1154 H 1 UNL111111111 0.1580 35 H 5.8456 1.4131 1.0504 H 1 UNL111111111 0.1565 36 H 5.7638 -3.1421 -0.9267 H 1 UNL111111111 0.1517 37 H 7.8303 -0.0606 1.2447 H 1 UNL111111111 0.1523 38 H 7.7916 -2.3367 0.2564 H 1 UNL111111111 0.1508 @BOND 1 1 6 1 2 1 12 1 3 2 12 2 4 3 4 1 5 3 5 1 6 3 21 1 7 3 22 1 8 4 6 1 9 4 23 1 10 4 24 1 11 5 7 ar 12 5 8 ar 13 6 25 1 14 6 26 1 15 7 9 ar 16 7 27 1 17 8 10 ar 18 8 28 1 19 9 11 ar 20 9 29 1 21 10 11 ar 22 10 30 1 23 11 31 1 24 12 14 1 25 13 15 1 26 13 16 ar 27 13 17 ar 28 14 15 2 29 14 32 1 30 15 33 1 31 16 18 ar 32 16 34 1 33 17 19 ar 34 17 35 1 35 18 20 ar 36 18 36 1 37 19 20 ar 38 19 37 1 39 20 38 1