@MOLECULE (4br,5r,9ar,10as)-5,9a-dihydroxy-7-methoxy-11,11-dimethyl-4b,5,9a,10,10a,11-hexahydro-9h-benzo[b]fluoren-9-one 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2342 2.7506 -0.2385 O.3 1 UNL1111111111 -0.5566 2 O 1.2217 -0.6184 -2.3705 O.3 1 UNL1111111111 -0.5366 3 O 2.4600 -2.8049 -1.0321 O.2 1 UNL1111111111 -0.4669 4 O 4.7543 0.6862 0.9561 O.2 1 UNL1111111111 -0.2939 5 C -0.6578 -0.7111 0.7302 C.3 1 UNL1111111111 -0.1210 6 C -0.8964 0.8122 0.4517 C.3 1 UNL1111111111 -0.1578 7 C -2.0900 -1.2639 1.0832 C.3 1 UNL1111111111 0.0850 8 C -0.0491 -1.4167 -0.4846 C.3 1 UNL1111111111 -0.3336 9 C 0.0789 1.3879 -0.5891 C.3 1 UNL1111111111 0.1361 10 C 1.2635 -0.7689 -0.9612 C.3 1 UNL1111111111 0.1622 11 C -2.3331 0.8872 0.0364 C.ar 1 UNL1111111111 -0.0272 12 C -3.0147 -0.2907 0.3892 C.ar 1 UNL1111111111 -0.0404 13 C 1.3708 0.6397 -0.4428 C.2 1 UNL1111111111 0.0265 14 C -2.3288 -2.7041 0.6389 C.3 1 UNL1111111111 -0.4565 15 C -2.3075 -1.1563 2.6008 C.3 1 UNL1111111111 -0.4600 16 C 2.4934 -1.6569 -0.6509 C.2 1 UNL1111111111 0.4587 17 C -2.9888 1.9319 -0.5884 C.ar 1 UNL1111111111 -0.1585 18 C -4.3616 -0.4318 0.1093 C.ar 1 UNL1111111111 -0.1615 19 C 2.4620 1.1212 0.1684 C.2 1 UNL1111111111 -0.2864 20 C -4.3508 1.7866 -0.8756 C.ar 1 UNL1111111111 -0.1501 21 C -5.0271 0.6196 -0.5322 C.ar 1 UNL1111111111 -0.1531 22 C 3.6216 -1.0539 0.0206 C.2 1 UNL1111111111 -0.4655 23 C 3.6130 0.2582 0.3717 C.2 1 UNL1111111111 0.3366 24 C 4.8472 2.0529 1.3386 C.3 1 UNL1111111111 -0.2063 25 H 0.0194 -0.8350 1.6004 H 1 UNL1111111111 0.1470 26 H -0.7598 1.3903 1.4032 H 1 UNL1111111111 0.1768 27 H 0.1178 -2.4908 -0.2636 H 1 UNL1111111111 0.1743 28 H -0.7745 -1.3924 -1.3279 H 1 UNL1111111111 0.1744 29 H -0.3213 1.3223 -1.6294 H 1 UNL1111111111 0.1593 30 H -1.5512 -3.3771 1.0190 H 1 UNL1111111111 0.1542 31 H -3.2902 -3.0777 1.0123 H 1 UNL1111111111 0.1480 32 H -2.3572 -2.7974 -0.4531 H 1 UNL1111111111 0.1527 33 H -3.3385 -1.4114 2.8709 H 1 UNL1111111111 0.1498 34 H -1.6436 -1.8336 3.1484 H 1 UNL1111111111 0.1512 35 H -2.1245 -0.1380 2.9620 H 1 UNL1111111111 0.1498 36 H -2.4575 2.8460 -0.8455 H 1 UNL1111111111 0.1635 37 H -4.8966 -1.3379 0.3783 H 1 UNL1111111111 0.1517 38 H 2.4850 2.1405 0.5528 H 1 UNL1111111111 0.1843 39 H 0.7074 3.2329 -0.9454 H 1 UNL1111111111 0.3195 40 H 1.2813 -1.5024 -2.8058 H 1 UNL1111111111 0.3379 41 H -4.8834 2.5958 -1.3708 H 1 UNL1111111111 0.1493 42 H -6.0860 0.5200 -0.7618 H 1 UNL1111111111 0.1481 43 H 4.4812 -1.6941 0.2069 H 1 UNL1111111111 0.2009 44 H 5.8691 2.1048 1.7420 H 1 UNL1111111111 0.1574 45 H 4.1190 2.2923 2.1195 H 1 UNL1111111111 0.1384 46 H 4.7484 2.7134 0.4721 H 1 UNL1111111111 0.1384 @BOND 1 1 9 1 2 1 39 1 3 2 10 1 4 2 40 1 5 3 16 2 6 4 23 1 7 4 24 1 8 5 6 1 9 5 7 1 10 5 8 1 11 5 25 1 12 6 9 1 13 6 11 1 14 6 26 1 15 7 12 1 16 7 14 1 17 7 15 1 18 8 10 1 19 8 27 1 20 8 28 1 21 9 13 1 22 9 29 1 23 10 13 1 24 10 16 1 25 11 12 ar 26 11 17 ar 27 12 18 ar 28 13 19 2 29 14 30 1 30 14 31 1 31 14 32 1 32 15 33 1 33 15 34 1 34 15 35 1 35 16 22 1 36 17 20 ar 37 17 36 1 38 18 21 ar 39 18 37 1 40 19 23 1 41 19 38 1 42 20 21 ar 43 20 41 1 44 21 42 1 45 22 23 2 46 22 43 1 47 24 44 1 48 24 45 1 49 24 46 1