@MOLECULE 1-(4-nitrophenyl)-2-propyn-1-one 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0860 -1.5976 0.0013 O.2 1 UNL1111111111111 -0.3842 2 O 3.5097 1.3177 -0.0004 O.2 1 UNL1111111111111 -0.3909 3 O 3.7492 -0.8214 0.0002 O.2 1 UNL1111111111111 -0.3871 4 N 3.0590 0.1841 -0.0001 N.pl3 1 UNL1111111111111 0.6117 5 C -1.1386 -0.2763 0.0002 C.ar 1 UNL1111111111111 -0.1021 6 C 1.6081 0.0227 -0.0001 C.ar 1 UNL1111111111111 -0.0405 7 C -0.5832 1.0047 0.0014 C.ar 1 UNL1111111111111 -0.1209 8 C -0.3190 -1.4075 -0.0010 C.ar 1 UNL1111111111111 -0.0995 9 C 0.7992 1.1616 0.0012 C.ar 1 UNL1111111111111 -0.1126 10 C 1.0656 -1.2638 -0.0013 C.ar 1 UNL1111111111111 -0.1114 11 C -2.6157 -0.4821 0.0004 C.2 1 UNL1111111111111 0.4793 12 C -3.4436 0.6823 -0.0006 C.1 1 UNL1111111111111 -0.2088 13 C -4.1769 1.6457 -0.0015 C.1 1 UNL1111111111111 -0.0660 14 H -1.2271 1.8867 0.0025 H 1 UNL1111111111111 0.1700 15 H -0.7714 -2.4057 -0.0018 H 1 UNL1111111111111 0.1875 16 H 1.2483 2.1604 0.0021 H 1 UNL1111111111111 0.1897 17 H 1.7189 -2.1427 -0.0022 H 1 UNL1111111111111 0.1915 18 H -4.8012 2.4688 -0.0023 H 1 UNL1111111111111 0.1942 @BOND 1 1 11 2 2 2 4 2 3 3 4 2 4 4 6 1 5 5 7 ar 6 5 8 ar 7 5 11 1 8 6 9 ar 9 6 10 ar 10 7 9 ar 11 7 14 1 12 8 10 ar 13 8 15 1 14 9 16 1 15 10 17 1 16 11 12 1 17 12 13 3 18 13 18 1