@MOLECULE methyl syringate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.0173 -2.2058 -0.1113 O.3 1 UNL11111111 -0.3434 2 O -1.4080 2.5393 0.0430 O.3 1 UNL11111111 -0.2871 3 O -3.1200 0.2240 -0.0195 O.3 1 UNL11111111 -0.4542 4 O 3.1115 0.9372 -0.0164 O.3 1 UNL11111111 -0.3931 5 O 3.0926 -1.3080 0.0256 O.2 1 UNL11111111 -0.5063 6 C 1.0146 -0.1052 -0.0036 C.ar 1 UNL11111111 -0.0840 7 C -1.1351 -1.1670 -0.0466 C.ar 1 UNL11111111 0.1487 8 C -0.9812 1.2540 0.0114 C.ar 1 UNL11111111 0.1822 9 C -1.7654 0.0945 -0.0178 C.ar 1 UNL11111111 0.0915 10 C 0.2480 -1.2757 -0.0369 C.ar 1 UNL11111111 -0.2331 11 C 0.4209 1.1486 0.0185 C.ar 1 UNL11111111 -0.1890 12 C 2.4824 -0.2675 0.0048 C.2 1 UNL11111111 0.6017 13 C -1.4863 -3.5033 0.1286 C.3 1 UNL11111111 -0.1821 14 C -2.8126 2.7695 0.0200 C.3 1 UNL11111111 -0.1934 15 C 4.5349 0.8902 -0.0158 C.3 1 UNL11111111 -0.1714 16 H 0.7480 -2.2442 -0.0592 H 1 UNL11111111 0.1897 17 H 1.0198 2.0621 0.0419 H 1 UNL11111111 0.1947 18 H -3.5544 -0.6700 -0.0189 H 1 UNL11111111 0.3397 19 H -0.9771 -3.5499 1.0968 H 1 UNL11111111 0.1401 20 H -0.8214 -3.8001 -0.6899 H 1 UNL11111111 0.1402 21 H -2.3914 -4.1250 0.1356 H 1 UNL11111111 0.1491 22 H -3.2920 2.3428 0.9072 H 1 UNL11111111 0.1445 23 H -3.2592 2.3730 -0.8980 H 1 UNL11111111 0.1451 24 H -2.8630 3.8657 0.0374 H 1 UNL11111111 0.1445 25 H 4.8138 1.9498 -0.0443 H 1 UNL11111111 0.1460 26 H 4.8977 0.3567 -0.9008 H 1 UNL11111111 0.1401 27 H 4.8976 0.4047 0.8963 H 1 UNL11111111 0.1395 @BOND 1 26 15 1 2 23 14 1 3 20 13 1 4 1 7 1 5 1 13 1 6 16 10 1 7 7 10 ar 8 7 9 ar 9 25 15 1 10 10 6 ar 11 3 18 1 12 3 9 1 13 9 8 ar 14 4 15 1 15 4 12 1 16 15 27 1 17 6 12 1 18 6 11 ar 19 12 5 2 20 8 11 ar 21 8 2 1 22 11 17 1 23 14 24 1 24 14 2 1 25 14 22 1 26 13 21 1 27 13 19 1