@MOLECULE r-phenylethyl propionate 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1563 0.7993 0.4849 O.3 1 UNL1111111111 -0.4640 2 O 1.8572 -0.1861 -1.4108 O.2 1 UNL1111111111 -0.5015 3 C 0.0310 1.3740 -0.1984 C.3 1 UNL1111111111 0.1481 4 C -1.1242 0.4176 -0.0795 C.ar 1 UNL1111111111 -0.0556 5 C -0.2357 2.6738 0.5561 C.3 1 UNL1111111111 -0.4652 6 C -1.3086 -0.3104 1.0965 C.ar 1 UNL1111111111 -0.1414 7 C -2.0107 0.2625 -1.1448 C.ar 1 UNL1111111111 -0.1517 8 C 3.0190 -0.5766 0.6984 C.3 1 UNL1111111111 -0.3245 9 C 1.9832 -0.0103 -0.2286 C.2 1 UNL1111111111 0.6136 10 C -2.3797 -1.1940 1.2049 C.ar 1 UNL1111111111 -0.1512 11 C -3.0855 -0.6174 -1.0308 C.ar 1 UNL1111111111 -0.1438 12 C -3.2700 -1.3464 0.1430 C.ar 1 UNL1111111111 -0.1474 13 C 3.9342 -1.5311 -0.0574 C.3 1 UNL1111111111 -0.4203 14 H 0.3122 1.5643 -1.2616 H 1 UNL1111111111 0.1524 15 H -0.4088 2.4850 1.6241 H 1 UNL1111111111 0.1629 16 H -1.1210 3.1835 0.1588 H 1 UNL1111111111 0.1586 17 H 0.6191 3.3570 0.4819 H 1 UNL1111111111 0.1596 18 H -0.6103 -0.1875 1.9236 H 1 UNL1111111111 0.1590 19 H -1.8619 0.8191 -2.0680 H 1 UNL1111111111 0.1541 20 H 3.5988 0.2516 1.1597 H 1 UNL1111111111 0.1733 21 H 2.5206 -1.0928 1.5473 H 1 UNL1111111111 0.1745 22 H -2.5215 -1.7650 2.1200 H 1 UNL1111111111 0.1486 23 H -3.7775 -0.7394 -1.8617 H 1 UNL1111111111 0.1501 24 H -4.1069 -2.0358 0.2295 H 1 UNL1111111111 0.1483 25 H 4.4387 -1.0275 -0.8938 H 1 UNL1111111111 0.1584 26 H 4.7057 -1.9508 0.5971 H 1 UNL1111111111 0.1453 27 H 3.3703 -2.3679 -0.4933 H 1 UNL1111111111 0.1598 @BOND 1 1 3 1 2 1 9 1 3 2 9 2 4 3 4 1 5 3 5 1 6 3 14 1 7 4 6 ar 8 4 7 ar 9 5 15 1 10 5 16 1 11 5 17 1 12 6 10 ar 13 6 18 1 14 7 11 ar 15 7 19 1 16 8 9 1 17 8 13 1 18 8 20 1 19 8 21 1 20 10 12 ar 21 10 22 1 22 11 12 ar 23 11 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 13 27 1