@MOLECULE (3alpha,4beta)-3,4-dihydroxy-11-methylgona-1,5(10),6,8,11,13-hexaen-17-one 37 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.8365 1.3668 1.1042 O.3 1 UNL1111111111 -0.5428 2 O 5.3971 -0.3367 -0.3186 O.3 1 UNL1111111111 -0.5354 3 O -5.3057 -1.0313 0.2480 O.2 1 UNL1111111111 -0.4348 4 C -2.3263 0.7814 -0.0674 C.ar 1 UNL1111111111 0.0277 5 C -0.9168 0.8199 -0.1435 C.ar 1 UNL1111111111 -0.0349 6 C -0.1947 -0.4034 -0.0584 C.ar 1 UNL1111111111 -0.0046 7 C 1.2308 -0.3079 0.0553 C.ar 1 UNL1111111111 0.0012 8 C -3.2790 1.9419 -0.0609 C.3 1 UNL1111111111 -0.2696 9 C -2.9889 -0.4267 0.0275 C.ar 1 UNL1111111111 -0.1713 10 C 1.8667 0.8972 -0.1840 C.ar 1 UNL1111111111 -0.0930 11 C 3.3696 0.9867 -0.1747 C.3 1 UNL1111111111 0.0961 12 C -4.6807 1.3040 0.0813 C.3 1 UNL1111111111 -0.3766 13 C -0.9198 -1.6363 -0.1083 C.ar 1 UNL1111111111 0.0140 14 C 4.0111 -0.3764 -0.5473 C.3 1 UNL1111111111 0.0883 15 C -4.4481 -0.2006 0.1350 C.2 1 UNL1111111111 0.4862 16 C -2.2993 -1.6427 -0.0265 C.ar 1 UNL1111111111 -0.1267 17 C -0.2342 2.0559 -0.3095 C.ar 1 UNL1111111111 -0.1473 18 C 1.1314 2.0890 -0.3762 C.ar 1 UNL1111111111 -0.1358 19 C 2.0573 -1.4266 0.5108 C.2 1 UNL1111111111 -0.1879 20 C 3.3703 -1.4717 0.2494 C.2 1 UNL1111111111 -0.1786 21 C -0.2511 -2.9520 -0.3306 C.3 1 UNL1111111111 -0.4478 22 H -3.0642 2.6358 0.7728 H 1 UNL1111111111 0.1611 23 H -3.1981 2.5361 -0.9898 H 1 UNL1111111111 0.1598 24 H 3.7643 1.7999 -0.8269 H 1 UNL1111111111 0.1620 25 H -5.3435 1.5610 -0.7623 H 1 UNL1111111111 0.1728 26 H -5.2026 1.6449 0.9919 H 1 UNL1111111111 0.1735 27 H 3.9350 -0.5760 -1.6442 H 1 UNL1111111111 0.1626 28 H -2.8676 -2.5745 -0.0237 H 1 UNL1111111111 0.1752 29 H -0.8192 2.9705 -0.3942 H 1 UNL1111111111 0.1577 30 H 1.6664 3.0245 -0.5410 H 1 UNL1111111111 0.1644 31 H 1.5685 -2.1803 1.1268 H 1 UNL1111111111 0.1683 32 H 4.0319 -2.2653 0.5850 H 1 UNL1111111111 0.1698 33 H 0.6514 -2.8625 -0.9540 H 1 UNL1111111111 0.1659 34 H 0.0304 -3.4343 0.6173 H 1 UNL1111111111 0.1619 35 H -0.9107 -3.6607 -0.8558 H 1 UNL1111111111 0.1612 36 H 3.3808 0.8550 1.8076 H 1 UNL1111111111 0.3241 37 H 5.5873 0.1647 0.5096 H 1 UNL1111111111 0.3333 @BOND 1 1 11 1 2 1 36 1 3 2 14 1 4 2 37 1 5 3 15 2 6 4 5 ar 7 4 8 1 8 4 9 ar 9 5 6 ar 10 5 17 ar 11 6 7 ar 12 6 13 ar 13 7 10 ar 14 7 19 1 15 8 12 1 16 8 22 1 17 8 23 1 18 9 15 1 19 9 16 ar 20 10 11 1 21 10 18 ar 22 11 14 1 23 11 24 1 24 12 15 1 25 12 25 1 26 12 26 1 27 13 16 ar 28 13 21 1 29 14 20 1 30 14 27 1 31 16 28 1 32 17 18 ar 33 17 29 1 34 18 30 1 35 19 20 2 36 19 31 1 37 20 32 1 38 21 33 1 39 21 34 1 40 21 35 1