@MOLECULE nitromesitylene 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.5768 -1.2106 -0.0768 C.ar 1 UNL111111111 -0.6696 2 C 2.2782 -0.0074 0.0006 C.ar 1 UNL111111111 0.5215 3 C 1.5812 1.2009 0.0762 C.ar 1 UNL111111111 -0.6957 4 C 0.1877 1.2212 0.0724 C.ar 1 UNL111111111 0.3877 5 C -0.5077 -0.0005 0.0004 C.ar 1 UNL111111111 -0.1681 6 C 0.1817 -1.2239 -0.0734 C.ar 1 UNL111111111 0.3963 7 C 3.7673 0.0019 0.0006 C.3 1 UNL111111111 -0.8266 8 C -0.5297 -2.5269 -0.1522 C.3 1 UNL111111111 -0.8154 9 C -0.5188 2.5270 0.1503 C.3 1 UNL111111111 -0.8071 10 N -1.9574 0.0034 0.0004 N.pl3 1 UNL111111111 0.2092 11 O -2.5409 0.8997 -0.5891 O.2 1 UNL111111111 -0.2890 12 O -2.5443 -0.8907 0.5902 O.2 1 UNL111111111 -0.1968 13 H 2.1224 -2.1502 -0.1381 H 1 UNL111111111 0.3281 14 H 2.1343 2.1362 0.1365 H 1 UNL111111111 0.3037 15 H 4.1633 0.5646 -0.8593 H 1 UNL111111111 0.2318 16 H 4.1653 0.4814 0.9087 H 1 UNL111111111 0.2599 17 H 4.2043 -1.0048 -0.0472 H 1 UNL111111111 0.2451 18 H 0.1397 -3.3701 -0.3679 H 1 UNL111111111 0.2340 19 H -1.0422 -2.7550 0.8017 H 1 UNL111111111 0.3066 20 H -1.3155 -2.5317 -0.9252 H 1 UNL111111111 0.2707 21 H -1.0342 2.7550 -0.8018 H 1 UNL111111111 0.2702 22 H -1.3024 2.5341 0.9259 H 1 UNL111111111 0.2847 23 H 0.1532 3.3683 0.3648 H 1 UNL111111111 0.2187 @BOND 1 20 8 1 2 15 7 1 3 21 9 1 4 11 10 2 5 18 8 1 6 8 6 1 7 8 19 1 8 13 1 1 9 1 6 ar 10 1 2 ar 11 6 5 ar 12 17 7 1 13 10 5 1 14 10 12 2 15 5 4 ar 16 7 2 1 17 7 16 1 18 2 3 ar 19 4 3 ar 20 4 9 1 21 3 14 1 22 9 23 1 23 9 22 1