@MOLECULE benzenetricarboxylic acid 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.0480 -2.0482 1.1335 O.3 1 UNL11111111 -0.5170 2 O 3.5480 0.7529 -0.0645 O.3 1 UNL11111111 -0.5588 3 O -3.5465 0.7584 -0.0299 O.3 1 UNL11111111 -0.5589 4 O 0.0393 -2.1907 -1.1113 O.2 1 UNL11111111 -0.4421 5 O 2.6344 -1.2759 0.0701 O.2 1 UNL11111111 -0.4650 6 O -2.6331 -1.2746 0.0006 O.2 1 UNL11111111 -0.4659 7 C 0.0004 -0.0359 -0.0280 C.ar 1 UNL11111111 0.0234 8 C 1.2091 0.6635 -0.0037 C.ar 1 UNL11111111 -0.1418 9 C -1.2069 0.6656 -0.0115 C.ar 1 UNL11111111 -0.1416 10 C 1.2088 2.0611 0.0227 C.ar 1 UNL11111111 -0.0285 11 C -1.2050 2.0634 0.0159 C.ar 1 UNL11111111 -0.0286 12 C 0.0025 2.7573 0.0302 C.ar 1 UNL11111111 -0.1932 13 C 0.0010 -1.5288 -0.1127 C.2 1 UNL11111111 0.6349 14 C 2.4794 -0.0850 0.0058 C.2 1 UNL11111111 0.6340 15 C -2.4778 -0.0820 -0.0132 C.2 1 UNL11111111 0.6345 16 H 2.1584 2.6072 0.0380 H 1 UNL11111111 0.1803 17 H -2.1538 2.6108 0.0268 H 1 UNL11111111 0.1803 18 H 0.0035 3.8470 0.0490 H 1 UNL11111111 0.1663 19 H -0.0539 -3.0432 1.1348 H 1 UNL11111111 0.3608 20 H 4.4160 0.2736 -0.0637 H 1 UNL11111111 0.3635 21 H -4.4149 0.2798 -0.0338 H 1 UNL11111111 0.3634 @BOND 1 4 13 2 2 13 7 1 3 13 1 1 4 2 20 1 5 2 14 1 6 21 3 1 7 3 15 1 8 7 9 ar 9 7 8 ar 10 15 9 1 11 15 6 2 12 9 11 ar 13 8 14 1 14 8 10 ar 15 14 5 2 16 11 17 1 17 11 12 ar 18 10 12 ar 19 10 16 1 20 12 18 1 21 1 19 1