@MOLECULE (2s)-2-phenylpropyl acetate 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9422 0.1890 0.6106 O.3 1 UNL1111111111 -0.4355 2 O 1.8008 -1.0247 -1.2814 O.2 1 UNL1111111111 -0.5145 3 C 0.1567 1.7632 0.4184 C.3 1 UNL1111111111 -0.1372 4 C -0.8266 0.6492 0.1828 C.ar 1 UNL1111111111 0.0006 5 C 1.5619 1.3774 -0.0782 C.3 1 UNL1111111111 -0.0285 6 C -0.3028 3.0397 -0.2923 C.3 1 UNL1111111111 -0.4438 7 C -1.5565 0.1406 1.2596 C.ar 1 UNL1111111111 -0.1782 8 C -1.0202 0.1134 -1.0927 C.ar 1 UNL1111111111 -0.1576 9 C -2.4676 -0.8949 1.0637 C.ar 1 UNL1111111111 -0.1466 10 C -1.9312 -0.9216 -1.2869 C.ar 1 UNL1111111111 -0.1375 11 C -2.6560 -1.4280 -0.2095 C.ar 1 UNL1111111111 -0.1626 12 C 1.9472 -0.9771 -0.0880 C.2 1 UNL1111111111 0.6352 13 C 2.1751 -2.1132 0.8482 C.3 1 UNL1111111111 -0.5110 14 H 0.2290 1.9678 1.5183 H 1 UNL1111111111 0.1534 15 H 2.3267 2.1109 0.2343 H 1 UNL1111111111 0.1389 16 H 1.6038 1.2437 -1.1738 H 1 UNL1111111111 0.1524 17 H 0.3727 3.8782 -0.0924 H 1 UNL1111111111 0.1469 18 H -0.3588 2.9028 -1.3790 H 1 UNL1111111111 0.1525 19 H -1.3049 3.3340 0.0451 H 1 UNL1111111111 0.1551 20 H -1.4131 0.5495 2.2574 H 1 UNL1111111111 0.1498 21 H -0.4439 0.4895 -1.9374 H 1 UNL1111111111 0.1606 22 H -3.0322 -1.2864 1.9071 H 1 UNL1111111111 0.1475 23 H -2.0703 -1.3391 -2.2826 H 1 UNL1111111111 0.1522 24 H -3.3660 -2.2372 -0.3628 H 1 UNL1111111111 0.1495 25 H 1.2312 -2.6599 1.0135 H 1 UNL1111111111 0.1884 26 H 2.5412 -1.7847 1.8330 H 1 UNL1111111111 0.1846 27 H 2.9005 -2.8270 0.4283 H 1 UNL1111111111 0.1856 @BOND 1 1 5 1 2 1 12 1 3 2 12 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 14 1 8 4 7 ar 9 4 8 ar 10 5 15 1 11 5 16 1 12 6 17 1 13 6 18 1 14 6 19 1 15 7 9 ar 16 7 20 1 17 8 10 ar 18 8 21 1 19 9 11 ar 20 9 22 1 21 10 11 ar 22 10 23 1 23 11 24 1 24 12 13 1 25 13 25 1 26 13 26 1 27 13 27 1