@MOLECULE alternariol-9-methyl ether 32 34 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.3324 1.9940 -0.0076 O.3 1 UNL11111111 -0.2670 2 O 3.4101 -2.2007 -0.0122 O.3 1 UNL11111111 -0.0392 3 O 2.7000 2.5556 0.0147 O.3 1 UNL11111111 -0.3558 4 O -5.2367 -0.5633 -0.0012 O.3 1 UNL11111111 -0.3429 5 O 0.3045 3.4026 -0.0034 O.2 1 UNL11111111 -0.1425 6 C -1.0622 -0.4267 -0.0011 C.ar 1 UNL11111111 -0.5331 7 C 0.3834 -0.2561 -0.0034 C.ar 1 UNL11111111 0.3129 8 C 0.9024 1.0684 0.0021 C.ar 1 UNL11111111 -0.1090 9 C -1.7866 -1.6473 0.0061 C.ar 1 UNL11111111 0.5675 10 C -1.8427 0.7527 -0.0043 C.ar 1 UNL11111111 0.5781 11 C 1.3014 -1.3038 -0.0115 C.ar 1 UNL11111111 -0.5541 12 C 2.2953 1.2729 0.0074 C.ar 1 UNL11111111 0.2236 13 C 0.0488 2.2325 -0.0022 C.2 1 UNL11111111 0.1944 14 C -3.1784 -1.6554 0.0057 C.ar 1 UNL11111111 -0.5738 15 C -3.2433 0.7762 -0.0049 C.ar 1 UNL11111111 -0.7645 16 C 2.6857 -1.0606 -0.0055 C.ar 1 UNL11111111 0.3453 17 C -3.8906 -0.4499 -0.0007 C.ar 1 UNL11111111 0.3418 18 C 3.2181 0.2260 0.0055 C.ar 1 UNL11111111 -0.6490 19 C -1.1534 -2.9970 0.0161 C.3 1 UNL11111111 -1.0125 20 C 4.8281 -2.0815 -0.0016 C.3 1 UNL11111111 -0.7283 21 H 1.0035 -2.3453 -0.0242 H 1 UNL11111111 0.2650 22 H -3.7680 1.7250 -0.0087 H 1 UNL11111111 0.3212 23 H -3.7372 -2.5884 0.0103 H 1 UNL11111111 0.2923 24 H 4.2800 0.4155 0.0115 H 1 UNL11111111 0.2608 25 H -0.5353 -3.1578 -0.8828 H 1 UNL11111111 0.3083 26 H -0.5201 -3.1381 0.9078 H 1 UNL11111111 0.3070 27 H -1.8882 -3.8159 0.0317 H 1 UNL11111111 0.2737 28 H 3.6893 2.6440 0.0172 H 1 UNL11111111 0.3588 29 H -5.6879 0.3198 -0.0059 H 1 UNL11111111 0.3317 30 H 5.1704 -1.5956 0.9177 H 1 UNL11111111 0.2501 31 H 5.1833 -1.5560 -0.8932 H 1 UNL11111111 0.2496 32 H 5.1484 -3.1326 -0.0226 H 1 UNL11111111 0.2895 @BOND 1 31 20 1 2 25 19 1 3 21 11 1 4 32 20 1 5 2 16 1 6 2 20 1 7 11 16 ar 8 11 7 ar 9 22 15 1 10 1 10 1 11 1 13 1 12 29 4 1 13 16 18 ar 14 15 10 ar 15 15 17 ar 16 10 6 ar 17 7 6 1 18 7 8 ar 19 5 13 2 20 13 8 1 21 20 30 1 22 4 17 1 23 6 9 ar 24 17 14 ar 25 8 12 ar 26 18 12 ar 27 18 24 1 28 14 9 ar 29 14 23 1 30 9 19 1 31 12 3 1 32 3 28 1 33 19 27 1 34 19 26 1