@MOLECULE 6-hydroxy-1,4-cycloheptanedione 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2073 -1.3708 1.2110 O.3 1 UNL111111111 -0.5677 2 O 2.5914 0.7260 0.3283 O.2 1 UNL111111111 -0.4558 3 O -2.8282 0.5903 -0.0116 O.2 1 UNL111111111 -0.4734 4 C 0.1397 -1.5511 -0.1897 C.3 1 UNL111111111 0.2006 5 C 1.3043 -0.8364 -0.8900 C.3 1 UNL111111111 -0.4681 6 C -1.2402 -1.0303 -0.5947 C.3 1 UNL111111111 -0.4193 7 C 0.4965 1.5683 -0.4040 C.3 1 UNL111111111 -0.3631 8 C -0.6481 1.2656 0.5590 C.3 1 UNL111111111 -0.3561 9 C 1.5641 0.5122 -0.2625 C.2 1 UNL111111111 0.5032 10 C -1.6557 0.3009 -0.0123 C.2 1 UNL111111111 0.5091 11 H 0.2027 -2.6507 -0.3841 H 1 UNL111111111 0.1226 12 H 1.1038 -0.7259 -1.9723 H 1 UNL111111111 0.1759 13 H 2.2245 -1.4555 -0.8272 H 1 UNL111111111 0.1774 14 H -2.0096 -1.7784 -0.2823 H 1 UNL111111111 0.1912 15 H -1.3267 -0.9789 -1.6993 H 1 UNL111111111 0.1762 16 H 0.9303 2.5664 -0.1710 H 1 UNL111111111 0.1782 17 H 0.1362 1.6402 -1.4474 H 1 UNL111111111 0.1633 18 H -1.1674 2.2090 0.8409 H 1 UNL111111111 0.1776 19 H -0.2647 0.8539 1.5231 H 1 UNL111111111 0.1973 20 H 1.1083 -1.5470 1.5515 H 1 UNL111111111 0.3309 @BOND 1 1 4 1 2 1 20 1 3 2 9 2 4 3 10 2 5 4 5 1 6 4 6 1 7 4 11 1 8 5 9 1 9 5 12 1 10 5 13 1 11 6 10 1 12 6 14 1 13 6 15 1 14 7 8 1 15 7 9 1 16 7 16 1 17 7 17 1 18 8 10 1 19 8 18 1 20 8 19 1