@MOLECULE (7s,12beta)-3,4,7,12-tetrahydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.6321 1.8529 0.2009 O.3 1 UNL1111111111 -0.5580 2 O 5.3536 -0.8785 -1.2671 O.2 1 UNL1111111111 -0.4619 3 O -0.3604 0.8066 -1.1279 O.3 1 UNL1111111111 -0.5958 4 O 0.8301 1.7219 2.0301 O.2 1 UNL1111111111 -0.4876 5 O -3.1257 1.8965 -0.7039 O.3 1 UNL1111111111 -0.4744 6 O -5.5587 1.1449 -1.6046 O.3 1 UNL1111111111 -0.4912 7 C 3.3771 -0.2111 -0.0382 C.3 1 UNL1111111111 -0.1293 8 C 1.9481 -0.6665 -0.4232 C.3 1 UNL1111111111 -0.1194 9 C 0.9350 -0.1471 0.5875 C.3 1 UNL1111111111 -0.2640 10 C 2.0655 -2.1930 -0.5973 C.3 1 UNL1111111111 -0.2692 11 C 3.4766 1.2844 -0.3806 C.3 1 UNL1111111111 0.1756 12 C 4.2411 -1.1292 -0.8948 C.2 1 UNL1111111111 0.4770 13 C 3.4712 -2.3966 -1.1997 C.3 1 UNL1111111111 -0.3841 14 C 2.2900 2.0699 0.2011 C.3 1 UNL1111111111 -0.4088 15 C 1.3224 1.2635 1.0283 C.2 1 UNL1111111111 0.5178 16 C 3.7741 -0.4767 1.4124 C.3 1 UNL1111111111 -0.4360 17 C -0.4733 -0.0960 -0.0426 C.3 1 UNL1111111111 0.1839 18 C -1.5440 0.3745 0.9549 C.3 1 UNL1111111111 -0.3389 19 C -2.8901 -0.0999 0.5233 C.ar 1 UNL1111111111 -0.0682 20 C -3.4137 -1.3407 0.9225 C.ar 1 UNL1111111111 0.0218 21 C -3.6574 0.7029 -0.3228 C.ar 1 UNL1111111111 0.1803 22 C -4.6732 -1.7484 0.4810 C.ar 1 UNL1111111111 -0.1734 23 C -4.9218 0.2777 -0.7657 C.ar 1 UNL1111111111 0.1382 24 C -2.6317 -2.2327 1.8274 C.3 1 UNL1111111111 -0.4416 25 C -5.4380 -0.9463 -0.3666 C.ar 1 UNL1111111111 -0.2285 26 H 1.6923 -0.2280 -1.4282 H 1 UNL1111111111 0.1743 27 H 0.9070 -0.8035 1.4897 H 1 UNL1111111111 0.1691 28 H 1.2753 -2.5890 -1.2534 H 1 UNL1111111111 0.1460 29 H 1.9638 -2.7199 0.3649 H 1 UNL1111111111 0.1413 30 H 3.5535 1.4355 -1.4831 H 1 UNL1111111111 0.1257 31 H 3.4313 -2.5678 -2.2909 H 1 UNL1111111111 0.1737 32 H 3.9846 -3.2792 -0.7812 H 1 UNL1111111111 0.1709 33 H 1.7095 2.5505 -0.6183 H 1 UNL1111111111 0.1891 34 H 2.6902 2.9139 0.8145 H 1 UNL1111111111 0.2038 35 H 3.3041 0.2382 2.1029 H 1 UNL1111111111 0.1695 36 H 3.5033 -1.4858 1.7383 H 1 UNL1111111111 0.1455 37 H 4.8578 -0.3525 1.5550 H 1 UNL1111111111 0.1629 38 H -0.7336 -1.0844 -0.4869 H 1 UNL1111111111 0.1275 39 H -1.5163 1.4885 1.0379 H 1 UNL1111111111 0.1954 40 H -1.3016 0.0397 1.9846 H 1 UNL1111111111 0.1761 41 H 5.4250 1.3470 -0.0883 H 1 UNL1111111111 0.3325 42 H -1.2102 1.2727 -1.2839 H 1 UNL1111111111 0.3498 43 H -5.0719 -2.7100 0.8001 H 1 UNL1111111111 0.1567 44 H -2.5143 -1.7785 2.8245 H 1 UNL1111111111 0.1648 45 H -3.1110 -3.2089 1.9782 H 1 UNL1111111111 0.1519 46 H -1.6240 -2.4288 1.4338 H 1 UNL1111111111 0.1569 47 H -6.4149 -1.2782 -0.7048 H 1 UNL1111111111 0.1611 48 H -3.7764 2.4145 -1.2501 H 1 UNL1111111111 0.3512 49 H -6.4611 0.8278 -1.8474 H 1 UNL1111111111 0.3399 @BOND 1 1 11 1 2 1 41 1 3 2 12 2 4 3 17 1 5 3 42 1 6 4 15 2 7 5 21 1 8 5 48 1 9 6 23 1 10 6 49 1 11 7 8 1 12 7 11 1 13 7 12 1 14 7 16 1 15 8 9 1 16 8 10 1 17 8 26 1 18 9 15 1 19 9 17 1 20 9 27 1 21 10 13 1 22 10 28 1 23 10 29 1 24 11 14 1 25 11 30 1 26 12 13 1 27 13 31 1 28 13 32 1 29 14 15 1 30 14 33 1 31 14 34 1 32 16 35 1 33 16 36 1 34 16 37 1 35 17 18 1 36 17 38 1 37 18 19 1 38 18 39 1 39 18 40 1 40 19 20 ar 41 19 21 ar 42 20 22 ar 43 20 24 1 44 21 23 ar 45 22 25 ar 46 22 43 1 47 23 25 ar 48 24 44 1 49 24 45 1 50 24 46 1 51 25 47 1