@MOLECULE 6,7-didehydroestrone 40 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8826 -1.0968 -0.3357 O.2 1 UNL1111111111 -0.4506 2 O 5.7857 -0.1960 0.4491 O.3 1 UNL1111111111 -0.4740 3 C -1.9194 0.7515 -0.2650 C.3 1 UNL1111111111 -0.1338 4 C -2.5651 -0.5804 0.2084 C.3 1 UNL1111111111 -0.0375 5 C -0.4483 0.7814 0.1326 C.3 1 UNL1111111111 -0.1336 6 C 0.2573 -0.3804 -0.6357 C.3 1 UNL1111111111 -0.1055 7 C -1.9320 -1.7209 -0.5808 C.3 1 UNL1111111111 -0.2742 8 C -2.8763 1.8363 0.2645 C.3 1 UNL1111111111 -0.2715 9 C -0.4107 -1.7376 -0.3427 C.3 1 UNL1111111111 -0.2734 10 C -4.0405 -0.2906 -0.0607 C.2 1 UNL1111111111 0.4639 11 C -4.2737 1.2048 0.0810 C.3 1 UNL1111111111 -0.3873 12 C -2.4747 -0.8403 1.7169 C.3 1 UNL1111111111 -0.4479 13 C 1.7296 -0.3537 -0.3168 C.ar 1 UNL1111111111 -0.0872 14 C 0.2266 2.0762 -0.1995 C.2 1 UNL1111111111 -0.1284 15 C 2.3555 0.9032 -0.2095 C.ar 1 UNL1111111111 0.0578 16 C 1.5577 2.1193 -0.3509 C.2 1 UNL1111111111 -0.1993 17 C 2.4910 -1.5137 -0.1760 C.ar 1 UNL1111111111 -0.1064 18 C 3.7241 0.9933 0.0463 C.ar 1 UNL1111111111 -0.3140 19 C 3.8557 -1.4475 0.0848 C.ar 1 UNL1111111111 -0.2435 20 C 4.4501 -0.1885 0.1926 C.ar 1 UNL1111111111 0.2844 21 H -1.9644 0.7900 -1.3847 H 1 UNL1111111111 0.1469 22 H -0.3401 0.6104 1.2333 H 1 UNL1111111111 0.1633 23 H 0.1533 -0.1776 -1.7359 H 1 UNL1111111111 0.1529 24 H -2.1521 -1.6156 -1.6597 H 1 UNL1111111111 0.1451 25 H -2.3756 -2.6912 -0.2858 H 1 UNL1111111111 0.1533 26 H -2.6739 2.0742 1.3209 H 1 UNL1111111111 0.1450 27 H -2.7777 2.7805 -0.2909 H 1 UNL1111111111 0.1411 28 H -0.1987 -2.0403 0.7004 H 1 UNL1111111111 0.1457 29 H 0.0407 -2.5168 -0.9876 H 1 UNL1111111111 0.1413 30 H -4.7886 1.5977 -0.8132 H 1 UNL1111111111 0.1704 31 H -4.9452 1.4159 0.9295 H 1 UNL1111111111 0.1692 32 H -2.8657 -0.0029 2.3050 H 1 UNL1111111111 0.1480 33 H -3.0471 -1.7368 1.9904 H 1 UNL1111111111 0.1567 34 H -1.4402 -1.0073 2.0400 H 1 UNL1111111111 0.1581 35 H -0.4053 2.9545 -0.2785 H 1 UNL1111111111 0.1489 36 H 2.0922 3.0393 -0.5730 H 1 UNL1111111111 0.1572 37 H 2.0247 -2.4947 -0.2688 H 1 UNL1111111111 0.1555 38 H 4.2069 1.9601 0.1330 H 1 UNL1111111111 0.1624 39 H 4.4576 -2.3444 0.2020 H 1 UNL1111111111 0.1755 40 H 6.1571 0.7156 0.5154 H 1 UNL1111111111 0.3256 @BOND 1 1 10 2 2 2 20 1 3 2 40 1 4 3 4 1 5 3 5 1 6 3 8 1 7 3 21 1 8 4 7 1 9 4 10 1 10 4 12 1 11 5 6 1 12 5 14 1 13 5 22 1 14 6 9 1 15 6 13 1 16 6 23 1 17 7 9 1 18 7 24 1 19 7 25 1 20 8 11 1 21 8 26 1 22 8 27 1 23 9 28 1 24 9 29 1 25 10 11 1 26 11 30 1 27 11 31 1 28 12 32 1 29 12 33 1 30 12 34 1 31 13 15 ar 32 13 17 ar 33 14 16 2 34 14 35 1 35 15 16 1 36 15 18 ar 37 16 36 1 38 17 19 ar 39 17 37 1 40 18 20 ar 41 18 38 1 42 19 20 ar 43 19 39 1