@MOLECULE methyl (2'z)-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-2',3'-dihydro-2,4'-bi-1,3-benzoxazole-4-carboxylate 43 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3120 -1.3921 0.0008 O.2 1 UNL1111111111 -0.1133 2 O 2.5863 -2.4618 -0.0048 O.2 1 UNL1111111111 -0.2291 3 O 4.0649 3.2388 0.0070 O.3 1 UNL1111111111 -0.4158 4 O -5.4721 -0.1571 0.0058 O.2 1 UNL1111111111 -0.5125 5 O 1.9370 2.5231 0.0047 O.2 1 UNL1111111111 -0.4577 6 N -1.3053 -0.3202 -0.0139 N.ar 1 UNL1111111111 -0.4422 7 N 1.5775 -0.4160 0.0011 N.ar 1 UNL1111111111 -0.4226 8 C -1.0395 -1.6907 -0.0036 C.ar 1 UNL1111111111 0.1569 9 C 0.1419 -2.4300 -0.0004 C.ar 1 UNL1111111111 -0.1266 10 C -2.2992 -2.3459 0.0018 C.ar 1 UNL1111111111 0.0401 11 C 1.3942 -1.7262 -0.0014 C.ar 1 UNL1111111111 0.3437 12 C -2.6886 -0.1507 -0.0045 C.ar 1 UNL1111111111 0.4388 13 C 0.0189 -3.8306 0.0057 C.ar 1 UNL1111111111 -0.0785 14 C 2.9638 -0.2124 -0.0007 C.ar 1 UNL1111111111 0.1213 15 C -2.4261 -3.7137 0.0081 C.ar 1 UNL1111111111 -0.0945 16 C 3.5819 -1.4989 -0.0042 C.ar 1 UNL1111111111 0.0638 17 C -3.4278 1.0010 -0.0040 C.2 1 UNL1111111111 -0.3761 18 C -1.2279 -4.4497 0.0095 C.ar 1 UNL1111111111 -0.1733 19 C 3.7516 0.9361 0.0005 C.ar 1 UNL1111111111 -0.1249 20 C 4.9495 -1.6819 -0.0067 C.ar 1 UNL1111111111 -0.1269 21 C 5.1366 0.7589 -0.0013 C.ar 1 UNL1111111111 -0.0897 22 C -4.8939 0.9137 0.0020 C.2 1 UNL1111111111 0.5060 23 C -2.8098 2.2991 -0.0098 C.2 1 UNL1111111111 -0.0375 24 C 5.7187 -0.5168 -0.0052 C.ar 1 UNL1111111111 -0.1561 25 C 3.1111 2.2637 0.0040 C.2 1 UNL1111111111 0.6030 26 C -5.6350 2.1819 0.0037 C.2 1 UNL1111111111 -0.2958 27 C -3.5514 3.4325 -0.0085 C.2 1 UNL1111111111 -0.2417 28 C -4.9922 3.3668 -0.0013 C.2 1 UNL1111111111 -0.0535 29 C 3.5757 4.5758 0.0107 C.3 1 UNL1111111111 -0.1656 30 H -0.5828 0.3952 -0.0020 H 1 UNL1111111111 0.3836 31 H 0.9267 -4.4382 0.0078 H 1 UNL1111111111 0.1686 32 H -3.3990 -4.2032 0.0119 H 1 UNL1111111111 0.1826 33 H -1.2824 -5.5389 0.0140 H 1 UNL1111111111 0.1662 34 H 5.4003 -2.6710 -0.0094 H 1 UNL1111111111 0.1757 35 H 5.7880 1.6390 0.0008 H 1 UNL1111111111 0.1796 36 H -1.7197 2.3517 -0.0150 H 1 UNL1111111111 0.1463 37 H 6.8068 -0.5989 -0.0071 H 1 UNL1111111111 0.1675 38 H -6.7175 2.0912 0.0092 H 1 UNL1111111111 0.1701 39 H -3.0886 4.4144 -0.0128 H 1 UNL1111111111 0.1516 40 H -5.5381 4.3105 0.0000 H 1 UNL1111111111 0.1415 41 H 2.9802 4.7625 -0.8897 H 1 UNL1111111111 0.1414 42 H 2.9765 4.7569 0.9097 H 1 UNL1111111111 0.1415 43 H 4.4939 5.1738 0.0144 H 1 UNL1111111111 0.1441 @BOND 1 1 10 ar 2 1 12 ar 3 2 11 ar 4 2 16 ar 5 3 25 1 6 3 29 1 7 4 22 2 8 5 25 2 9 6 8 ar 10 6 12 ar 11 6 30 1 12 7 11 ar 13 7 14 ar 14 8 9 ar 15 8 10 ar 16 9 11 1 17 9 13 ar 18 10 15 ar 19 12 17 2 20 13 18 ar 21 13 31 1 22 14 16 ar 23 14 19 ar 24 15 18 ar 25 15 32 1 26 16 20 ar 27 17 22 1 28 17 23 1 29 18 33 1 30 19 21 ar 31 19 25 1 32 20 24 ar 33 20 34 1 34 21 24 ar 35 21 35 1 36 22 26 1 37 23 27 2 38 23 36 1 39 24 37 1 40 26 28 2 41 26 38 1 42 27 28 1 43 27 39 1 44 28 40 1 45 29 41 1 46 29 42 1 47 29 43 1