@MOLECULE 2-nitro-para-tolyl isocyanate 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3315 -2.6652 0.0635 O.2 1 UNL1111111111 -0.3652 2 O 1.9202 -1.2329 -0.0773 O.2 1 UNL1111111111 -0.4580 3 O 3.7202 0.8326 0.0041 O.2 1 UNL1111111111 -0.2406 4 N 0.7255 -1.5156 -0.0044 N.pl3 1 UNL1111111111 0.6503 5 N 1.4109 1.4257 0.0231 N.2 1 UNL1111111111 -0.5429 6 C -2.5876 0.1645 -0.0061 C.ar 1 UNL1111111111 -0.0142 7 C -0.2396 -0.4457 -0.0015 C.ar 1 UNL1111111111 -0.2029 8 C -1.6014 -0.8053 -0.0070 C.ar 1 UNL1111111111 -0.0837 9 C 0.1327 0.9140 0.0073 C.ar 1 UNL1111111111 0.3267 10 C -2.2186 1.5239 0.0015 C.ar 1 UNL1111111111 -0.0849 11 C -0.8911 1.8954 0.0088 C.ar 1 UNL1111111111 -0.2058 12 C -4.0289 -0.2060 -0.0149 C.3 1 UNL1111111111 -0.4468 13 C 2.5622 0.9411 0.0070 C.1 1 UNL1111111111 0.6431 14 H -1.8704 -1.8686 -0.0122 H 1 UNL1111111111 0.1886 15 H -2.9985 2.2881 0.0016 H 1 UNL1111111111 0.1611 16 H -0.6014 2.9493 0.0158 H 1 UNL1111111111 0.1880 17 H -4.1922 -1.2929 0.0193 H 1 UNL1111111111 0.1623 18 H -4.5622 0.2208 0.8482 H 1 UNL1111111111 0.1620 19 H -4.5337 0.1617 -0.9216 H 1 UNL1111111111 0.1627 @BOND 1 1 4 2 2 2 4 2 3 3 13 2 4 4 7 1 5 5 9 1 6 5 13 2 7 6 8 ar 8 6 10 ar 9 6 12 1 10 7 8 ar 11 7 9 ar 12 8 14 1 13 9 11 ar 14 10 11 ar 15 10 15 1 16 11 16 1 17 12 17 1 18 12 18 1 19 12 19 1