@MOLECULE 2-anilino-5-methoxy-1,3-oxazole-4-carbonitrile 25 26 0 0 0 SMALL USER_CHARGES @ATOM 1 O1 -3.4669 -1.4774 0.0209 O.3 1 UNCH1111111111 -0.1081 2 O2 -1.2157 -1.4982 -0.0005 O.2 1 UNCH1111111111 -0.2173 3 N1 1.0688 -1.1317 -0.0229 N.pl3 1 UNCH1111111111 -0.9418 4 N2 -0.6024 0.7047 -0.0110 N.ar 1 UNCH1111111111 -0.5125 5 N3 -3.4892 2.7086 -0.0036 N.1 1 UNCH1111111111 -0.4366 6 C1 -4.6840 -0.7157 0.0032 C.3 1 UNCH1111111111 -0.7492 7 C2 -2.3658 -0.7252 0.0055 C.ar 1 UNCH1111111111 0.3004 8 C3 -0.1593 -0.5379 -0.0101 C.ar 1 UNCH1111111111 0.7239 9 C4 2.2987 -0.4320 -0.0067 C.ar 1 UNCH1111111111 0.5868 10 C5 3.4622 -1.2228 -0.0028 C.ar 1 UNCH1111111111 -0.3685 11 C6 4.7052 -0.6007 0.0071 C.ar 1 UNCH1111111111 -0.0466 12 C7 4.8013 0.7904 0.0133 C.ar 1 UNCH1111111111 -0.3056 13 C8 3.6426 1.5641 0.0096 C.ar 1 UNCH1111111111 0.0378 14 C9 2.3867 0.9640 -0.0005 C.ar 1 UNCH1111111111 -0.4790 15 C10 -2.0196 0.6127 -0.0012 C.ar 1 UNCH1111111111 -0.2881 16 C11 -2.8193 1.7633 -0.0020 C.1 1 UNCH1111111111 0.5008 17 H1 -5.4397 -1.5148 0.0167 H 1 UNCH1111111111 0.2776 18 H2 -4.7610 -0.1218 -0.9144 H 1 UNCH1111111111 0.2396 19 H3 -4.7653 -0.0870 0.8969 H 1 UNCH1111111111 0.3272 20 H4 1.0939 -2.1497 -0.0143 H 1 UNCH1111111111 0.5451 21 H5 3.3998 -2.3072 -0.0082 H 1 UNCH1111111111 0.1859 22 H6 5.6108 -1.2064 0.0098 H 1 UNCH1111111111 0.1539 23 H7 5.7772 1.2686 0.0208 H 1 UNCH1111111111 0.1726 24 H8 3.7146 2.6523 0.0137 H 1 UNCH1111111111 0.1360 25 H9 1.4916 1.5930 -0.0046 H 1 UNCH1111111111 0.2657 @BOND 1 1 6 1 2 1 7 1 3 2 7 ar 4 2 8 ar 5 3 8 1 6 3 9 1 7 3 20 1 8 4 8 ar 9 4 15 ar 10 5 16 3 11 6 17 1 12 6 18 1 13 6 19 1 14 7 15 ar 15 9 10 ar 16 9 14 ar 17 10 11 ar 18 10 21 1 19 11 12 ar 20 11 22 1 21 12 13 ar 22 12 23 1 23 13 14 ar 24 13 24 1 25 14 25 1 26 15 16 1