@MOLECULE acetosyringone 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4569 2.4282 0.0048 O.3 1 UNL1111111111 -0.2499 2 O 1.8085 -2.1861 -0.0364 O.3 1 UNL1111111111 -0.3360 3 O 2.8883 0.2800 -0.0055 O.3 1 UNL1111111111 -0.4106 4 O -3.2086 -1.3775 0.0124 O.2 1 UNL1111111111 -0.4582 5 C -1.2411 -0.1000 -0.0018 C.ar 1 UNL1111111111 -0.1035 6 C 0.7433 1.2717 0.0009 C.ar 1 UNL1111111111 0.1703 7 C 0.9218 -1.1497 -0.0136 C.ar 1 UNL1111111111 0.1296 8 C -0.4663 -1.2586 -0.0099 C.ar 1 UNL1111111111 -0.2164 9 C -0.6459 1.1627 0.0027 C.ar 1 UNL1111111111 -0.2608 10 C 1.5429 0.1094 -0.0050 C.ar 1 UNL1111111111 0.1204 11 C -2.7191 -0.2720 -0.0001 C.2 1 UNL1111111111 0.4957 12 C -3.5910 0.9494 -0.0157 C.3 1 UNL1111111111 -0.5425 13 C 0.7053 3.6355 0.0178 C.3 1 UNL1111111111 -0.2197 14 C 1.2602 -3.4953 0.0419 C.3 1 UNL1111111111 -0.1838 15 H -0.9596 -2.2321 -0.0146 H 1 UNL1111111111 0.1896 16 H -1.2622 2.0567 0.0081 H 1 UNL1111111111 0.1683 17 H -3.4103 1.5622 -0.9083 H 1 UNL1111111111 0.1733 18 H -3.4242 1.5749 0.8708 H 1 UNL1111111111 0.1730 19 H -4.6564 0.6708 -0.0217 H 1 UNL1111111111 0.1786 20 H 3.3498 -0.6015 0.0146 H 1 UNL1111111111 0.3304 21 H 0.1013 3.7161 0.9262 H 1 UNL1111111111 0.1340 22 H 0.0946 3.7310 -0.8847 H 1 UNL1111111111 0.1341 23 H 1.5014 4.3937 0.0212 H 1 UNL1111111111 0.1557 24 H 0.6270 -3.7047 -0.8267 H 1 UNL1111111111 0.1389 25 H 0.7126 -3.6343 0.9800 H 1 UNL1111111111 0.1387 26 H 2.1624 -4.1218 0.0223 H 1 UNL1111111111 0.1508 @BOND 1 1 6 1 2 1 13 1 3 2 7 1 4 2 14 1 5 3 10 1 6 3 20 1 7 4 11 2 8 5 8 ar 9 5 9 ar 10 5 11 1 11 6 9 ar 12 6 10 ar 13 7 8 ar 14 7 10 ar 15 8 15 1 16 9 16 1 17 11 12 1 18 12 17 1 19 12 18 1 20 12 19 1 21 13 21 1 22 13 22 1 23 13 23 1 24 14 24 1 25 14 25 1 26 14 26 1