@MOLECULE benzylacetate 20 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.6401 -0.0893 -1.1725 O.co2 1 UNL1 -0.1310 2 O 3.3175 0.0621 1.0364 O.co2 1 UNL1 -0.4477 3 C 0.5667 0.0446 0.7527 C.3 1 UNL1 -0.2693 4 C -0.8803 0.0199 0.3668 C.ar 1 UNL1 0.0046 5 C 1.4338 0.0067 -0.5097 C.3 1 UNL1 -0.3231 6 C -1.5639 1.2155 0.1369 C.ar 1 UNL1 -0.1725 7 C -1.5482 -1.1990 0.2335 C.ar 1 UNL1 -0.1726 8 C -2.9100 1.1906 -0.2206 C.ar 1 UNL1 -0.1369 9 C -2.8942 -1.2205 -0.1245 C.ar 1 UNL1 -0.1368 10 C -3.5767 -0.0264 -0.3514 C.ar 1 UNL1 -0.1591 11 C 2.9022 -0.0014 -0.0948 C.2 1 UNL1 0.4932 12 H 0.8059 0.9450 1.3599 H 1 UNL1 0.1695 13 H 0.8197 -0.8074 1.4209 H 1 UNL1 0.1692 14 H 1.2253 0.8830 -1.1573 H 1 UNL1 0.1775 15 H 1.2000 -0.8898 -1.1198 H 1 UNL1 0.1773 16 H -1.0478 2.1678 0.2405 H 1 UNL1 0.1536 17 H -1.0195 -2.1331 0.4122 H 1 UNL1 0.1537 18 H -3.4428 2.1234 -0.3958 H 1 UNL1 0.1496 19 H -3.4148 -2.1710 -0.2252 H 1 UNL1 0.1496 20 H -4.6288 -0.0443 -0.6279 H 1 UNL1 0.1512 @BOND 1 1 11 ar 2 14 5 1 3 15 5 1 4 20 10 1 5 5 11 1 6 5 3 1 7 18 8 1 8 10 8 ar 9 10 9 ar 10 19 9 1 11 8 6 ar 12 9 7 ar 13 11 2 ar 14 6 16 1 15 6 4 ar 16 7 4 ar 17 7 17 1 18 4 3 1 19 3 12 1 20 3 13 1