@MOLECULE 7-hydroxy-4,8-dimethyl-2-oxo-2h-chromene-6-carbonitrile 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7798 1.1491 0.0002 O.2 1 UNL1 -0.3568 2 O 2.8098 1.7861 0.0002 O.3 1 UNL1 -0.4297 3 O -3.9525 1.0442 -0.0047 O.2 1 UNL1 -0.3991 4 N 4.3867 -1.4489 -0.0020 N.1 1 UNL1 -0.2431 5 C -0.4026 -0.8358 0.0007 C.ar 1 UNL1 -0.2754 6 C -0.5724 0.5679 0.0000 C.ar 1 UNL1 0.3400 7 C 0.5116 1.4617 -0.0020 C.ar 1 UNL1 -0.1620 8 C -1.5940 -1.6583 0.0016 C.ar 1 UNL1 0.2259 9 C 0.8968 -1.3479 0.0001 C.ar 1 UNL1 0.0329 10 C 1.7915 0.9066 -0.0010 C.ar 1 UNL1 0.3549 11 C 1.9990 -0.4959 -0.0010 C.ar 1 UNL1 -0.2532 12 C -2.8093 -1.0636 0.0002 C.ar 1 UNL1 -0.4139 13 C 0.2865 2.9276 0.0057 C.3 1 UNL1 -0.4017 14 C -1.4593 -3.1388 0.0037 C.3 1 UNL1 -0.4713 15 C -2.9623 0.3708 -0.0020 C.ar 1 UNL1 0.6009 16 C 3.3090 -1.0239 -0.0015 C.1 1 UNL1 0.1256 17 H 1.0591 -2.4300 0.0007 H 1 UNL1 0.1675 18 H -3.7421 -1.6279 0.0005 H 1 UNL1 0.1970 19 H 1.1858 3.4961 -0.2768 H 1 UNL1 0.1680 20 H -0.5171 3.2203 -0.6906 H 1 UNL1 0.1690 21 H -0.0201 3.2784 1.0049 H 1 UNL1 0.1657 22 H -0.9136 -3.4949 0.8925 H 1 UNL1 0.1744 23 H -0.9148 -3.4975 -0.8847 H 1 UNL1 0.1744 24 H -2.4312 -3.6561 0.0051 H 1 UNL1 0.1691 25 H 3.7059 1.3545 -0.0092 H 1 UNL1 0.3408 @BOND 1 23 14 1 2 20 13 1 3 19 13 1 4 25 2 1 5 3 15 2 6 7 10 ar 7 7 6 ar 8 7 13 1 9 15 1 ar 10 15 12 ar 11 4 16 3 12 16 11 1 13 10 11 ar 14 10 2 1 15 11 9 ar 16 6 1 ar 17 6 5 ar 18 9 5 ar 19 9 17 1 20 12 18 1 21 12 8 ar 22 5 8 ar 23 8 14 1 24 14 24 1 25 14 22 1 26 13 21 1