@MOLECULE 3-allyl-2,2-dimethyl-3,4-dihydro-2h-benzo[h]chromene-5,6-dione 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2828 1.6251 0.0094 O.2 1 UNL1111111111 -0.3604 2 O 0.1109 -3.0888 -0.1540 O.2 1 UNL1111111111 -0.3670 3 O 2.8222 -2.7886 -0.2412 O.2 1 UNL1111111111 -0.3478 4 C -2.3586 0.3769 0.3551 C.3 1 UNL1111111111 -0.1614 5 C -1.7066 1.6209 -0.2817 C.3 1 UNL1111111111 0.3057 6 C -1.6830 -0.8963 -0.1806 C.3 1 UNL1111111111 -0.2333 7 C -3.8716 0.3343 0.0954 C.3 1 UNL1111111111 -0.2991 8 C -0.2034 -0.7589 -0.1161 C.2 1 UNL1111111111 -0.3272 9 C 0.3803 0.4590 -0.0225 C.2 1 UNL1111111111 0.2944 10 C -1.8361 1.6986 -1.7988 C.3 1 UNL1111111111 -0.4954 11 C -2.1446 2.9216 0.3932 C.3 1 UNL1111111111 -0.4873 12 C 1.8282 0.6605 0.0962 C.ar 1 UNL1111111111 -0.0318 13 C 0.5854 -1.9813 -0.1321 C.2 1 UNL1111111111 0.3812 14 C -4.5098 -0.7752 0.8710 C.2 1 UNL1111111111 -0.1093 15 C 2.6681 -0.4618 0.0531 C.ar 1 UNL1111111111 -0.1364 16 C 2.1131 -1.8244 -0.1159 C.2 1 UNL1111111111 0.3388 17 C 2.3732 1.9344 0.2493 C.ar 1 UNL1111111111 -0.1264 18 C 4.0477 -0.3010 0.1641 C.ar 1 UNL1111111111 -0.0832 19 C 3.7554 2.0879 0.3622 C.ar 1 UNL1111111111 -0.1221 20 C -5.3457 -1.6567 0.3238 C.2 1 UNL1111111111 -0.3306 21 C 4.5911 0.9746 0.3201 C.ar 1 UNL1111111111 -0.1504 22 H -2.1799 0.4293 1.4595 H 1 UNL1111111111 0.1564 23 H -2.0083 -1.1153 -1.2194 H 1 UNL1111111111 0.1559 24 H -2.0211 -1.7800 0.4072 H 1 UNL1111111111 0.1735 25 H -4.0700 0.2312 -0.9905 H 1 UNL1111111111 0.1519 26 H -4.3398 1.2969 0.3913 H 1 UNL1111111111 0.1504 27 H -2.8755 1.8441 -2.1099 H 1 UNL1111111111 0.1556 28 H -1.2487 2.5345 -2.2007 H 1 UNL1111111111 0.1626 29 H -1.4644 0.7862 -2.2844 H 1 UNL1111111111 0.1694 30 H -1.5015 3.7585 0.0880 H 1 UNL1111111111 0.1651 31 H -3.1739 3.1830 0.1281 H 1 UNL1111111111 0.1582 32 H -2.0788 2.8526 1.4858 H 1 UNL1111111111 0.1619 33 H -4.2461 -0.8087 1.9280 H 1 UNL1111111111 0.1432 34 H 1.7209 2.8081 0.2821 H 1 UNL1111111111 0.1693 35 H 4.6985 -1.1797 0.1275 H 1 UNL1111111111 0.1758 36 H 4.1811 3.0844 0.4834 H 1 UNL1111111111 0.1529 37 H -5.8154 -2.4534 0.8795 H 1 UNL1111111111 0.1468 38 H -5.6255 -1.6589 -0.7176 H 1 UNL1111111111 0.1449 39 H 5.6692 1.0980 0.4077 H 1 UNL1111111111 0.1552 @BOND 1 1 5 1 2 1 9 1 3 2 13 2 4 3 16 2 5 4 5 1 6 4 6 1 7 4 7 1 8 4 22 1 9 5 10 1 10 5 11 1 11 6 8 1 12 6 23 1 13 6 24 1 14 7 14 1 15 7 25 1 16 7 26 1 17 8 9 2 18 8 13 1 19 9 12 1 20 10 27 1 21 10 28 1 22 10 29 1 23 11 30 1 24 11 31 1 25 11 32 1 26 12 15 ar 27 12 17 ar 28 13 16 1 29 14 20 2 30 14 33 1 31 15 16 1 32 15 18 ar 33 17 19 ar 34 17 34 1 35 18 21 ar 36 18 35 1 37 19 21 ar 38 19 36 1 39 20 37 1 40 20 38 1 41 21 39 1