@MOLECULE (2z)-2-cyano-3-(4-hydroxyphenyl)acrylic acid 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.5033 -0.3412 -0.2143 O.3 1 UNL1111111111111 -0.3402 2 O -2.7327 -1.3728 -1.1787 O.3 1 UNL1111111111111 -0.4007 3 O -1.1369 -1.9315 0.2757 O.2 1 UNL1111111111111 -0.2714 4 N -4.3063 1.3078 0.3608 N.1 1 UNL1111111111111 -0.2355 5 C 0.5483 0.7100 0.2117 C.ar 1 UNL1111111111111 0.2679 6 C 1.0381 -0.3744 0.9472 C.ar 1 UNL1111111111111 -0.1561 7 C 1.4069 1.4322 -0.6342 C.ar 1 UNL1111111111111 -0.3287 8 C -0.8391 1.1366 0.3161 C.2 1 UNL1111111111111 -0.4147 9 C 2.3718 -0.7545 0.8357 C.ar 1 UNL1111111111111 -0.3834 10 C 2.7339 1.0612 -0.7720 C.ar 1 UNL1111111111111 -0.2653 11 C 3.1970 -0.0361 -0.0312 C.ar 1 UNL1111111111111 0.1604 12 C -1.9230 0.3526 0.1478 C.2 1 UNL1111111111111 0.1714 13 C -1.8456 -1.0822 -0.1965 C.2 1 UNL1111111111111 0.2053 14 C -3.2368 0.8768 0.2605 C.1 1 UNL1111111111111 0.0912 15 H 0.3750 -0.9272 1.6212 H 1 UNL1111111111111 0.2406 16 H 1.0231 2.2840 -1.1984 H 1 UNL1111111111111 0.2323 17 H -0.9748 2.2100 0.5281 H 1 UNL1111111111111 0.2596 18 H 2.7525 -1.5965 1.4046 H 1 UNL1111111111111 0.2571 19 H 3.4145 1.5933 -1.4322 H 1 UNL1111111111111 0.2255 20 H 4.7867 -1.1284 0.3140 H 1 UNL1111111111111 0.3372 21 H -2.7239 -2.3292 -1.4448 H 1 UNL1111111111111 0.3477 @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