@MOLECULE (2e)-2-(3,4-dihydroxybenzoyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)acrylonitrile 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.6734 -0.1351 0.8608 O.2 1 UNL1111111111 -0.2740 2 O 6.9268 -1.8142 -0.0574 O.2 1 UNL1111111111 -0.4095 3 O -1.8958 2.1783 -1.7172 O.2 1 UNL1111111111 -0.4025 4 O -5.1223 -2.2226 -1.0895 O.3 1 UNL1111111111 -0.4384 5 O -6.4501 -1.2375 1.0759 O.3 1 UNL1111111111 -0.4848 6 N 4.7770 -1.3246 -0.8678 N.ar 1 UNL1111111111 -0.5462 7 N -0.5892 -0.9646 1.4989 N.1 1 UNL1111111111 -0.2193 8 C 3.8299 -0.3616 -0.4901 C.ar 1 UNL1111111111 0.1067 9 C 1.9173 1.0232 -0.3028 C.ar 1 UNL1111111111 -0.0423 10 C 4.4154 0.3645 0.5872 C.ar 1 UNL1111111111 0.1155 11 C 2.5679 -0.0400 -0.9499 C.ar 1 UNL1111111111 -0.1836 12 C 2.4999 1.7276 0.7523 C.ar 1 UNL1111111111 -0.1455 13 C 3.7793 1.4034 1.2246 C.ar 1 UNL1111111111 -0.1476 14 C 0.5848 1.4103 -0.7732 C.2 1 UNL1111111111 0.0079 15 C -3.0834 0.6655 -0.3422 C.ar 1 UNL1111111111 -0.1364 16 C -0.5550 0.8636 -0.3144 C.2 1 UNL1111111111 -0.1823 17 C 5.9095 -1.1903 -0.0454 C.ar 1 UNL1111111111 0.6652 18 C -1.8637 1.3187 -0.8730 C.2 1 UNL1111111111 0.4772 19 C -3.5524 -0.4920 -0.9675 C.ar 1 UNL1111111111 -0.1713 20 C -3.7357 1.2192 0.7542 C.ar 1 UNL1111111111 -0.1148 21 C -4.6945 -1.1026 -0.4605 C.ar 1 UNL1111111111 0.2070 22 C -4.8826 0.6066 1.2668 C.ar 1 UNL1111111111 -0.2319 23 C -5.3518 -0.5500 0.6598 C.ar 1 UNL1111111111 0.1654 24 C -0.5782 -0.1416 0.6850 C.1 1 UNL1111111111 0.1209 25 H 2.0945 -0.5793 -1.7654 H 1 UNL1111111111 0.1772 26 H 1.9527 2.5437 1.2254 H 1 UNL1111111111 0.1674 27 H 4.2391 1.9441 2.0490 H 1 UNL1111111111 0.1830 28 H 4.6630 -2.0050 -1.5915 H 1 UNL1111111111 0.3487 29 H 0.5657 2.1933 -1.5495 H 1 UNL1111111111 0.1919 30 H -3.0498 -0.9203 -1.8342 H 1 UNL1111111111 0.1838 31 H -3.3588 2.1298 1.2188 H 1 UNL1111111111 0.1621 32 H -5.3913 1.0315 2.1278 H 1 UNL1111111111 0.1659 33 H -5.9396 -2.5869 -0.6530 H 1 UNL1111111111 0.3431 34 H -6.9067 -0.7851 1.8267 H 1 UNL1111111111 0.3418 @BOND 1 1 10 ar 2 1 17 ar 3 2 17 2 4 3 18 2 5 4 21 1 6 4 33 1 7 5 23 1 8 5 34 1 9 6 8 ar 10 6 17 ar 11 6 28 1 12 7 24 3 13 8 10 ar 14 8 11 ar 15 9 11 ar 16 9 12 ar 17 9 14 1 18 10 13 ar 19 11 25 1 20 12 13 ar 21 12 26 1 22 13 27 1 23 14 16 2 24 14 29 1 25 15 18 1 26 15 19 ar 27 15 20 ar 28 16 18 1 29 16 24 1 30 19 21 ar 31 19 30 1 32 20 22 ar 33 20 31 1 34 21 23 ar 35 22 23 ar 36 22 32 1