@MOLECULE 4,7-dioxosebacic acid 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.6460 -0.1909 0.0261 C.2 1 UNL1111111111 1.9646 2 O 5.8124 -1.3744 0.1618 O.2 1 UNL1111111111 -1.0261 3 C 4.3664 0.5744 -0.0506 C.3 1 UNL1111111111 -0.9817 4 C 3.1775 -0.3819 -0.0248 C.3 1 UNL1111111111 -0.7243 5 C 0.6207 -0.4503 -0.0194 C.3 1 UNL1111111111 -0.3708 6 O 6.7061 0.6523 -0.0790 O.3 1 UNL1111111111 -1.0933 7 C -0.6210 0.4383 -0.0060 C.3 1 UNL1111111111 -0.4496 8 C -3.1768 0.3751 -0.0021 C.3 1 UNL1111111111 -0.8170 9 C -4.3699 -0.5757 -0.0259 C.3 1 UNL1111111111 -1.2022 10 C -5.6446 0.1999 0.0233 C.2 1 UNL1111111111 2.2023 11 O -6.7103 -0.6404 -0.0364 O.3 1 UNL1111111111 -1.1621 12 O -5.8021 1.3896 0.1054 O.2 1 UNL1111111111 -1.1287 13 C -1.8780 -0.3899 -0.0233 C.2 1 UNL1111111111 1.5308 14 C 1.8765 0.3799 -0.0103 C.2 1 UNL1111111111 1.4714 15 O 1.8460 1.5846 0.0093 O.2 1 UNL1111111111 -1.0651 16 O -1.8489 -1.5943 -0.0532 O.2 1 UNL1111111111 -1.0731 17 H 4.3049 1.3106 0.7860 H 1 UNL1111111111 0.2844 18 H 4.3454 1.2154 -0.9623 H 1 UNL1111111111 0.3417 19 H 3.2387 -1.0532 0.8610 H 1 UNL1111111111 0.1524 20 H 3.2133 -1.0716 -0.8958 H 1 UNL1111111111 0.1351 21 H 0.6055 -1.1451 0.8487 H 1 UNL1111111111 0.1568 22 H 0.6028 -1.1218 -0.9055 H 1 UNL1111111111 0.2272 23 H 7.5830 0.1974 -0.0310 H 1 UNL1111111111 0.5420 24 H -0.6027 1.1365 -0.8713 H 1 UNL1111111111 0.1683 25 H -0.6054 1.1068 0.8824 H 1 UNL1111111111 0.2412 26 H -3.2231 1.0325 0.8943 H 1 UNL1111111111 0.1695 27 H -3.2241 1.0790 -0.8620 H 1 UNL1111111111 0.2118 28 H -4.3430 -1.2300 -0.9283 H 1 UNL1111111111 0.3532 29 H -4.3224 -1.2998 0.8214 H 1 UNL1111111111 0.3829 30 H -7.5840 -0.1783 -0.0040 H 1 UNL1111111111 0.5585 @BOND 1 1 2 2 2 1 3 1 3 1 6 1 4 3 4 1 5 3 17 1 6 3 18 1 7 4 14 1 8 4 19 1 9 4 20 1 10 5 7 1 11 5 14 1 12 5 21 1 13 5 22 1 14 6 23 1 15 7 13 1 16 7 24 1 17 7 25 1 18 8 9 1 19 8 13 1 20 8 26 1 21 8 27 1 22 9 10 1 23 9 28 1 24 9 29 1 25 10 11 1 26 10 12 2 27 11 30 1 28 13 16 2 29 14 15 2