@MOLECULE sesamol 16 17 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.6083 1.3688 0.0004 O.3 1 UNL11111111 -0.3346 2 O 2.0852 -0.9419 -0.0002 O.3 1 UNL11111111 -0.3378 3 O -3.1083 0.6542 -0.0003 O.3 1 UNL11111111 -0.4615 4 C 0.4426 0.6542 0.0002 C.ar 1 UNL11111111 0.1968 5 C 0.7233 -0.7363 0.0001 C.ar 1 UNL11111111 0.0522 6 C 2.6659 0.3779 -0.0005 C.3 1 UNL11111111 0.1574 7 C -0.8379 1.1448 0.0001 C.ar 1 UNL11111111 -0.2854 8 C -0.2645 -1.6882 0.0002 C.ar 1 UNL11111111 -0.1066 9 C -1.8461 0.1532 -0.0000 C.ar 1 UNL11111111 0.2990 10 C -1.5907 -1.2162 0.0001 C.ar 1 UNL11111111 -0.3281 11 H 3.2337 0.4984 0.9325 H 1 UNL11111111 0.1417 12 H 3.2323 0.4986 -0.9344 H 1 UNL11111111 0.1416 13 H -1.0852 2.2004 0.0002 H 1 UNL11111111 0.1979 14 H -0.0437 -2.7518 0.0006 H 1 UNL11111111 0.1726 15 H -2.4069 -1.9305 0.0000 H 1 UNL11111111 0.1677 16 H -3.7923 -0.0591 -0.0001 H 1 UNL11111111 0.3272 @BOND 1 12 6 1 2 6 2 1 3 6 1 1 4 6 11 1 5 16 3 1 6 3 9 1 7 2 5 1 8 9 10 ar 9 9 7 ar 10 15 10 1 11 10 8 ar 12 5 8 ar 13 5 4 ar 14 8 14 1 15 4 7 ar 16 4 1 1 17 13 7 1