@MOLECULE mesitylene 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.3419 -0.3944 -0.0000 C.ar 1 UNL11111111 0.0824 2 C 1.0066 -0.9674 0.0000 C.ar 1 UNL11111111 0.0829 3 C 0.3279 1.3537 0.0000 C.ar 1 UNL11111111 0.0833 4 C -0.3337 -1.3588 -0.0000 C.ar 1 UNL11111111 -0.2522 5 C -1.0109 0.9627 -0.0000 C.ar 1 UNL11111111 -0.2555 6 C 1.3370 0.3882 -0.0000 C.ar 1 UNL11111111 -0.2589 7 C -2.7779 -0.8000 0.0000 C.3 1 UNL11111111 -0.4582 8 C 2.0933 -1.9901 0.0000 C.3 1 UNL11111111 -0.4581 9 C 0.6943 2.8003 0.0000 C.3 1 UNL11111111 -0.4582 10 H -0.5911 -2.4137 -0.0000 H 1 UNL11111111 0.1551 11 H -1.7979 1.7108 -0.0000 H 1 UNL11111111 0.1555 12 H 2.3790 0.6933 -0.0000 H 1 UNL11111111 0.1559 13 H -3.3006 -0.4100 0.8859 H 1 UNL11111111 0.1605 14 H -3.3008 -0.4097 -0.8856 H 1 UNL11111111 0.1605 15 H -2.9118 -1.8896 -0.0002 H 1 UNL11111111 0.1545 16 H 2.7370 -1.8853 0.8858 H 1 UNL11111111 0.1604 17 H 2.7371 -1.8853 -0.8857 H 1 UNL11111111 0.1604 18 H 1.7090 -3.0184 -0.0000 H 1 UNL11111111 0.1545 19 H 1.2935 3.0580 0.8858 H 1 UNL11111111 0.1604 20 H 1.2936 3.0580 -0.8857 H 1 UNL11111111 0.1604 21 H -0.1827 3.4606 -0.0001 H 1 UNL11111111 0.1545 @BOND 1 20 9 1 2 17 8 1 3 14 7 1 4 15 7 1 5 21 9 1 6 6 12 1 7 6 2 ar 8 6 3 ar 9 7 1 1 10 7 13 1 11 8 2 1 12 8 18 1 13 8 16 1 14 9 3 1 15 9 19 1 16 10 4 1 17 1 5 ar 18 1 4 ar 19 11 5 1 20 5 3 ar 21 4 2 ar