@MOLECULE -cyano-4-hydroxycinnamic acid 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6575 0.2843 -0.0803 O.3 1 UNL1111111111111 -0.4624 2 O 4.0096 0.6078 -0.0044 O.3 1 UNL1111111111111 -0.5247 3 O 3.5651 -1.5822 0.0314 O.2 1 UNL1111111111111 -0.4912 4 N 1.2917 2.5252 -0.0906 N.1 1 UNL1111111111111 -0.2158 5 C -0.6483 -0.6064 0.0256 C.ar 1 UNL1111111111111 -0.1505 6 C -1.3104 -0.3765 1.2332 C.ar 1 UNL1111111111111 -0.0499 7 C -1.3381 -0.5344 -1.1917 C.ar 1 UNL1111111111111 -0.0611 8 C 0.7767 -0.9347 0.0280 C.2 1 UNL1111111111111 0.0404 9 C -2.6679 -0.0723 1.2383 C.ar 1 UNL1111111111111 -0.3070 10 C -2.6907 -0.2310 -1.2088 C.ar 1 UNL1111111111111 -0.2414 11 C -3.3368 -0.0030 0.0140 C.ar 1 UNL1111111111111 0.3077 12 C 1.7528 -0.0068 -0.0018 C.2 1 UNL1111111111111 -0.1698 13 C 3.1632 -0.4469 0.0101 C.2 1 UNL1111111111111 0.6426 14 C 1.5032 1.3882 -0.0490 C.1 1 UNL1111111111111 0.1360 15 H -0.7640 -0.4325 2.1761 H 1 UNL1111111111111 0.1592 16 H -0.8084 -0.7123 -2.1291 H 1 UNL1111111111111 0.1612 17 H 1.0173 -2.0103 0.0561 H 1 UNL1111111111111 0.1874 18 H -3.1897 0.1097 2.1718 H 1 UNL1111111111111 0.1665 19 H -3.2524 -0.1629 -2.1381 H 1 UNL1111111111111 0.1820 20 H -5.0704 0.4620 0.8005 H 1 UNL1111111111111 0.3309 21 H 4.9669 0.3433 -0.0002 H 1 UNL1111111111111 0.3600 @BOND 1 1 11 1 2 1 20 1 3 2 13 1 4 2 21 1 5 3 13 2 6 4 14 3 7 5 6 ar 8 5 7 ar 9 5 8 1 10 6 9 ar 11 6 15 1 12 7 10 ar 13 7 16 1 14 8 12 2 15 8 17 1 16 9 11 ar 17 9 18 1 18 10 11 ar 19 10 19 1 20 12 13 1 21 12 14 1