@MOLECULE n,n-dimethyl-3-nitroaniline 22 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.2381 -0.1706 0.0636 C.ar 1 UNL111111111 0.4625 2 C -1.2058 -1.5837 0.0247 C.ar 1 UNL111111111 -0.4695 3 C 0.0009 -2.2681 -0.0144 C.ar 1 UNL111111111 0.0140 4 C 1.2146 -1.5824 -0.0249 C.ar 1 UNL111111111 -0.6323 5 C 1.1800 -0.1900 0.0026 C.ar 1 UNL111111111 0.7991 6 C -0.0125 0.5259 0.0404 C.ar 1 UNL111111111 -0.7980 7 N -2.4448 0.5123 0.2507 N.pl3 1 UNL111111111 -0.1589 8 N 2.4397 0.5502 -0.0149 N.pl3 1 UNL111111111 -0.1362 9 O 2.3945 1.7697 -0.0547 O.2 1 UNL111111111 -0.2004 10 O 3.4824 -0.0833 0.0092 O.2 1 UNL111111111 -0.1357 11 H -2.1322 -2.1527 0.0349 H 1 UNL111111111 0.2526 12 H 0.0009 -3.3593 -0.0373 H 1 UNL111111111 0.2073 13 C -3.6771 -0.1694 -0.1757 C.3 1 UNL111111111 -0.7176 14 H 0.0191 1.6168 0.0564 H 1 UNL111111111 0.3433 15 C -2.4565 1.9550 -0.0403 C.3 1 UNL111111111 -0.7196 16 H -3.6686 -0.4584 -1.2395 H 1 UNL111111111 0.2525 17 H -3.8321 -1.0735 0.4410 H 1 UNL111111111 0.2657 18 H -4.5521 0.4797 -0.0002 H 1 UNL111111111 0.2723 19 H -1.7752 2.4759 0.6595 H 1 UNL111111111 0.2583 20 H -2.1593 2.1954 -1.0745 H 1 UNL111111111 0.2448 21 H -3.4623 2.3710 0.1382 H 1 UNL111111111 0.2741 22 H 2.1637 -2.1200 -0.0546 H 1 UNL111111111 0.3216 @BOND 1 16 13 1 2 20 15 1 3 13 18 1 4 13 7 1 5 13 17 1 6 9 8 2 7 22 4 1 8 15 21 1 9 15 7 1 10 15 19 1 11 12 3 1 12 4 3 ar 13 4 5 ar 14 8 5 1 15 8 10 2 16 3 2 ar 17 5 6 ar 18 2 11 1 19 2 1 ar 20 6 14 1 21 6 1 ar 22 1 7 1