@MOLECULE 3-aminoflavone 29 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1671 0.9721 0.0424 O.2 1 UNL1 -0.2281 2 O 2.0268 -2.6431 -0.3219 O.2 1 UNL1 -0.4564 3 N -0.7139 -2.6215 -0.1062 N.pl3 1 UNL1 -0.5679 4 C -0.5549 -0.2005 -0.0287 C.ar 1 UNL1 0.0725 5 C 2.2261 -0.3108 -0.0183 C.ar 1 UNL1 -0.2823 6 C 1.5223 0.8902 0.0767 C.ar 1 UNL1 0.2654 7 C 0.0154 -1.4286 -0.1264 C.ar 1 UNL1 -0.0328 8 C -1.9748 0.1330 -0.0035 C.ar 1 UNL1 -0.0283 9 C 1.4974 -1.5660 -0.1609 C.ar 1 UNL1 0.4754 10 C 3.6278 -0.2766 0.0184 C.ar 1 UNL1 -0.0104 11 C 2.1743 2.1271 0.2079 C.ar 1 UNL1 -0.2584 12 C -2.8432 -0.5638 0.8419 C.ar 1 UNL1 -0.1310 13 C -2.4595 1.1626 -0.8165 C.ar 1 UNL1 -0.1198 14 C 4.2872 0.9351 0.1484 C.ar 1 UNL1 -0.2387 15 C 3.5585 2.1319 0.2438 C.ar 1 UNL1 -0.0429 16 C -4.1975 -0.2417 0.8574 C.ar 1 UNL1 -0.1580 17 C -3.8140 1.4828 -0.7908 C.ar 1 UNL1 -0.1585 18 C -4.6832 0.7794 0.0419 C.ar 1 UNL1 -0.1325 19 H 4.1808 -1.2176 -0.0570 H 1 UNL1 0.1723 20 H 1.5931 3.0425 0.2813 H 1 UNL1 0.1772 21 H -2.4556 -1.3481 1.4954 H 1 UNL1 0.1725 22 H -1.7767 1.7111 -1.4649 H 1 UNL1 0.1624 23 H 5.3738 0.9661 0.1776 H 1 UNL1 0.1600 24 H 4.0945 3.0764 0.3480 H 1 UNL1 0.1503 25 H -0.1841 -3.4425 -0.3634 H 1 UNL1 0.3014 26 H -1.6331 -2.5909 -0.5085 H 1 UNL1 0.2815 27 H -4.8770 -0.7847 1.5115 H 1 UNL1 0.1528 28 H -4.1950 2.2837 -1.4216 H 1 UNL1 0.1527 29 H -5.7419 1.0309 0.0578 H 1 UNL1 0.1499 @BOND 1 22 13 1 2 28 17 1 3 13 17 ar 4 13 8 ar 5 17 18 ar 6 26 3 1 7 25 3 1 8 2 9 2 9 9 7 ar 10 9 5 ar 11 7 3 1 12 7 4 ar 13 19 10 1 14 4 8 1 15 4 1 ar 16 5 10 ar 17 5 6 ar 18 8 12 ar 19 10 14 ar 20 18 29 1 21 18 16 ar 22 1 6 ar 23 6 11 ar 24 14 23 1 25 14 15 ar 26 11 15 ar 27 11 20 1 28 15 24 1 29 12 16 ar 30 12 21 1 31 16 27 1