@MOLECULE (6e)-6-(1,3-benzoxazol-2(3h)-ylidene)-2,4-cyclohexadien-1-one 25 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6479 -1.2252 -0.0002 O.2 1 UNL1111111111 -0.2194 2 O -1.7911 2.0909 0.0012 O.2 1 UNL1111111111 -0.6098 3 N 0.5781 1.0406 -0.0024 N.ar 1 UNL1111111111 -0.4283 4 C 1.9353 0.6774 -0.0003 C.ar 1 UNL1111111111 0.0893 5 C -0.1779 -0.1118 -0.0007 C.ar 1 UNL1111111111 0.4706 6 C 1.9556 -0.7430 0.0001 C.ar 1 UNL1111111111 0.0869 7 C -1.5487 -0.2348 -0.0002 C.2 1 UNL1111111111 -0.4070 8 C 3.1194 1.3961 0.0000 C.ar 1 UNL1111111111 -0.1641 9 C 3.1141 -1.4843 0.0004 C.ar 1 UNL1111111111 -0.1488 10 C -2.3417 0.9929 0.0003 C.2 1 UNL1111111111 0.5392 11 C -2.2124 -1.5008 0.0000 C.2 1 UNL1111111111 -0.0083 12 C 4.3037 0.6510 0.0005 C.ar 1 UNL1111111111 -0.1289 13 C 4.3051 -0.7468 0.0006 C.ar 1 UNL1111111111 -0.1459 14 C -3.7916 0.8484 0.0001 C.2 1 UNL1111111111 -0.3129 15 C -3.5685 -1.5765 0.0002 C.2 1 UNL1111111111 -0.2673 16 C -4.3632 -0.3778 0.0000 C.2 1 UNL1111111111 -0.0265 17 H 0.1596 1.9755 0.0016 H 1 UNL1111111111 0.3909 18 H 3.1336 2.4826 -0.0002 H 1 UNL1111111111 0.1756 19 H 3.1092 -2.5709 0.0006 H 1 UNL1111111111 0.1773 20 H -1.5952 -2.4005 0.0001 H 1 UNL1111111111 0.1467 21 H 5.2574 1.1811 0.0008 H 1 UNL1111111111 0.1599 22 H 5.2563 -1.2794 0.0006 H 1 UNL1111111111 0.1607 23 H -4.3641 1.7714 -0.0000 H 1 UNL1111111111 0.1739 24 H -4.0840 -2.5312 0.0004 H 1 UNL1111111111 0.1538 25 H -5.4482 -0.4935 -0.0001 H 1 UNL1111111111 0.1424 @BOND 1 1 5 ar 2 1 6 ar 3 2 10 2 4 3 4 ar 5 3 5 ar 6 3 17 1 7 4 6 ar 8 4 8 ar 9 5 7 2 10 6 9 ar 11 7 10 1 12 7 11 1 13 8 12 ar 14 8 18 1 15 9 13 ar 16 9 19 1 17 10 14 1 18 11 15 2 19 11 20 1 20 12 13 ar 21 12 21 1 22 13 22 1 23 14 16 2 24 14 23 1 25 15 16 1 26 15 24 1 27 16 25 1