@MOLECULE (1s,6br,9s,9as,11r,11br)-9-hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-3,6-dioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate 57 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6546 -0.5403 0.2446 O.3 1 UNL1111111111 -0.5508 2 O -0.2135 -2.2323 -0.0996 O.3 1 UNL1111111111 -0.4574 3 O 3.3942 -0.5465 0.7833 O.3 1 UNL1111111111 -0.4080 4 O 1.8050 3.5524 -0.3920 O.2 1 UNL1111111111 -0.0811 5 O -1.1675 3.4647 -0.6131 O.2 1 UNL1111111111 -0.3944 6 O 2.7752 -2.1244 -1.5160 O.3 1 UNL1111111111 -0.3723 7 O 5.1212 0.8044 0.8727 O.2 1 UNL1111111111 -0.4232 8 O -0.9032 -3.8377 1.3107 O.2 1 UNL1111111111 -0.5074 9 C -3.2166 -0.1285 0.1429 C.3 1 UNL1111111111 0.0255 10 C -2.4281 0.9015 -0.7184 C.3 1 UNL1111111111 -0.1275 11 C -4.6019 -0.0969 -0.5621 C.3 1 UNL1111111111 0.1416 12 C -2.4684 -1.4520 0.0371 C.3 1 UNL1111111111 -0.3417 13 C -3.4190 2.0677 -0.8674 C.3 1 UNL1111111111 -0.2588 14 C -1.0582 1.1152 -0.1697 C.2 1 UNL1111111111 -0.1334 15 C -0.3776 0.0632 0.3411 C.2 1 UNL1111111111 -0.0144 16 C -1.0397 -1.2804 0.5790 C.3 1 UNL1111111111 0.1336 17 C -4.7913 1.3754 -1.0088 C.3 1 UNL1111111111 -0.3385 18 C 1.0424 0.1708 0.8612 C.3 1 UNL1111111111 -0.0016 19 C -3.3597 0.2928 1.6066 C.3 1 UNL1111111111 -0.4575 20 C 1.6063 1.4668 0.4423 C.ar 1 UNL1111111111 -0.0232 21 C 2.0830 -0.8586 0.3163 C.3 1 UNL1111111111 0.1292 22 C -0.5109 2.5026 -0.3083 C.2 1 UNL1111111111 0.4668 23 C 0.9224 2.5404 -0.0504 C.ar 1 UNL1111111111 -0.0920 24 C 1.0188 0.0879 2.3962 C.3 1 UNL1111111111 -0.4356 25 C 3.0011 1.7725 0.3453 C.ar 1 UNL1111111111 -0.2913 26 C 2.0837 -0.9191 -1.2171 C.3 1 UNL1111111111 -0.1013 27 C 3.9421 0.7096 0.6641 C.2 1 UNL1111111111 0.6221 28 C 3.0663 3.0561 -0.1429 C.ar 1 UNL1111111111 0.0943 29 C -0.2453 -3.5186 0.3557 C.2 1 UNL1111111111 0.6368 30 C 0.6292 -4.3683 -0.4905 C.3 1 UNL1111111111 -0.5260 31 C 3.0922 -2.2439 -2.8895 C.3 1 UNL1111111111 -0.2002 32 H -2.2826 0.4651 -1.7488 H 1 UNL1111111111 0.1572 33 H -4.6542 -0.8089 -1.4124 H 1 UNL1111111111 0.1396 34 H -2.4339 -1.8072 -1.0112 H 1 UNL1111111111 0.1587 35 H -2.9907 -2.2538 0.5975 H 1 UNL1111111111 0.1728 36 H -3.1831 2.7045 -1.7351 H 1 UNL1111111111 0.1536 37 H -3.3914 2.7390 0.0075 H 1 UNL1111111111 0.1551 38 H -1.0229 -1.5037 1.6789 H 1 UNL1111111111 0.1610 39 H -5.5590 1.8734 -0.3964 H 1 UNL1111111111 0.1486 40 H -5.1602 1.4233 -2.0446 H 1 UNL1111111111 0.1459 41 H -3.8566 -0.4903 2.1935 H 1 UNL1111111111 0.1544 42 H -2.3877 0.4844 2.0757 H 1 UNL1111111111 0.1530 43 H -3.9396 1.2177 1.7085 H 1 UNL1111111111 0.1500 44 H 1.9544 -1.8714 0.7669 H 1 UNL1111111111 0.1778 45 H 0.7081 -0.9037 2.7472 H 1 UNL1111111111 0.1615 46 H 2.0199 0.2713 2.8156 H 1 UNL1111111111 0.1743 47 H 0.3399 0.8316 2.8301 H 1 UNL1111111111 0.1590 48 H -5.7602 0.0089 1.0462 H 1 UNL1111111111 0.3165 49 H 2.6059 -0.0552 -1.6621 H 1 UNL1111111111 0.1322 50 H 1.0567 -0.9834 -1.6248 H 1 UNL1111111111 0.1470 51 H 3.8537 3.7441 -0.3743 H 1 UNL1111111111 0.1913 52 H 1.4175 -3.7847 -1.0070 H 1 UNL1111111111 0.2125 53 H 0.0451 -4.8809 -1.2699 H 1 UNL1111111111 0.1846 54 H 1.1283 -5.1418 0.1130 H 1 UNL1111111111 0.1891 55 H 2.1885 -2.2523 -3.5054 H 1 UNL1111111111 0.1194 56 H 3.6035 -3.2140 -2.9393 H 1 UNL1111111111 0.1463 57 H 3.7733 -1.4464 -3.2045 H 1 UNL1111111111 0.1265 @BOND 1 1 11 1 2 1 48 1 3 2 16 1 4 2 29 1 5 3 21 1 6 3 27 1 7 4 23 ar 8 4 28 ar 9 5 22 2 10 6 26 1 11 6 31 1 12 7 27 2 13 8 29 2 14 9 10 1 15 9 11 1 16 9 12 1 17 9 19 1 18 10 13 1 19 10 14 1 20 10 32 1 21 11 17 1 22 11 33 1 23 12 16 1 24 12 34 1 25 12 35 1 26 13 17 1 27 13 36 1 28 13 37 1 29 14 15 2 30 14 22 1 31 15 16 1 32 15 18 1 33 16 38 1 34 17 39 1 35 17 40 1 36 18 20 1 37 18 21 1 38 18 24 1 39 19 41 1 40 19 42 1 41 19 43 1 42 20 23 ar 43 20 25 ar 44 21 26 1 45 21 44 1 46 22 23 1 47 24 45 1 48 24 46 1 49 24 47 1 50 25 27 1 51 25 28 ar 52 26 49 1 53 26 50 1 54 28 51 1 55 29 30 1 56 30 52 1 57 30 53 1 58 30 54 1 59 31 55 1 60 31 56 1 61 31 57 1