@MOLECULE benzyl acetate 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.3727 -0.0008 0.2717 O.3 1 UNL11111111 -0.4185 2 O 3.2449 0.0048 -0.9673 O.2 1 UNL11111111 -0.5125 3 C -0.8187 0.0020 -0.4575 C.ar 1 UNL11111111 -0.0353 4 C 0.5996 0.0050 -0.9390 C.3 1 UNL11111111 -0.0319 5 C -1.4735 -1.2083 -0.2289 C.ar 1 UNL11111111 -0.1376 6 C -1.4746 1.2104 -0.2187 C.ar 1 UNL11111111 -0.1376 7 C -2.7897 -1.2088 0.2282 C.ar 1 UNL11111111 -0.1515 8 C -2.7908 1.2063 0.2381 C.ar 1 UNL11111111 -0.1515 9 C -3.4488 -0.0026 0.4601 C.ar 1 UNL11111111 -0.1403 10 C 2.7215 -0.0004 0.1167 C.2 1 UNL11111111 0.6214 11 C 3.3762 -0.0073 1.4548 C.3 1 UNL11111111 -0.5113 12 H 0.8652 -0.8900 -1.5326 H 1 UNL11111111 0.1458 13 H 0.8641 0.9064 -1.5236 H 1 UNL11111111 0.1458 14 H -0.9561 -2.1507 -0.4009 H 1 UNL11111111 0.1544 15 H -0.9576 2.1543 -0.3829 H 1 UNL11111111 0.1544 16 H -3.3021 -2.1519 0.4066 H 1 UNL11111111 0.1503 17 H -3.3042 2.1469 0.4241 H 1 UNL11111111 0.1502 18 H -4.4769 -0.0046 0.8165 H 1 UNL11111111 0.1492 19 H 3.0911 -0.8982 2.0368 H 1 UNL11111111 0.1862 20 H 3.0802 0.8701 2.0515 H 1 UNL11111111 0.1862 21 H 4.4727 0.0002 1.3558 H 1 UNL11111111 0.1840 @BOND 1 12 4 1 2 13 4 1 3 2 10 2 4 4 3 1 5 4 1 1 6 3 5 ar 7 3 6 ar 8 14 5 1 9 15 6 1 10 5 7 ar 11 6 8 ar 12 10 1 1 13 10 11 1 14 7 16 1 15 7 9 ar 16 8 17 1 17 8 9 ar 18 9 18 1 19 21 11 1 20 11 19 1 21 11 20 1