@MOLECULE 5-isocyanato-2-methylaniline 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1712 0.5909 0.0059 O.2 1 UNL111111111 -0.3087 2 N 1.8990 2.0935 0.0423 N.pl3 1 UNL111111111 -0.6233 3 N -2.1198 -0.6163 -0.0054 N.2 1 UNL111111111 -0.5031 4 C 2.0619 -0.3426 -0.0052 C.ar 1 UNL111111111 -0.1301 5 C 1.2900 0.8461 -0.0128 C.ar 1 UNL111111111 0.2778 6 C 1.4093 -1.5699 0.0057 C.ar 1 UNL111111111 -0.0660 7 C -0.1134 0.7772 -0.0174 C.ar 1 UNL111111111 -0.3910 8 C -0.7317 -0.4785 -0.0039 C.ar 1 UNL111111111 0.3136 9 C 0.0191 -1.6594 0.0060 C.ar 1 UNL111111111 -0.2656 10 C 3.5513 -0.2873 -0.0013 C.3 1 UNL111111111 -0.4316 11 C -3.0926 0.1360 0.0019 C.1 1 UNL111111111 0.5745 12 H 1.9957 -2.4906 0.0138 H 1 UNL111111111 0.1529 13 H -0.7036 1.6854 -0.0211 H 1 UNL111111111 0.1687 14 H -0.4793 -2.6254 0.0141 H 1 UNL111111111 0.1789 15 H 3.9444 0.2066 -0.9011 H 1 UNL111111111 0.1482 16 H 3.9320 0.2515 0.8798 H 1 UNL111111111 0.1565 17 H 4.0051 -1.2884 0.0278 H 1 UNL111111111 0.1565 18 H 1.3542 2.9079 -0.1462 H 1 UNL111111111 0.2961 19 H 2.8734 2.1718 -0.1535 H 1 UNL111111111 0.2956 @BOND 1 1 11 2 2 2 5 1 3 2 18 1 4 2 19 1 5 3 8 1 6 3 11 2 7 4 5 ar 8 4 6 ar 9 4 10 1 10 5 7 ar 11 6 9 ar 12 6 12 1 13 7 8 ar 14 7 13 1 15 8 9 ar 16 9 14 1 17 10 15 1 18 10 16 1 19 10 17 1