@MOLECULE (1beta,4beta,5xi,9xi,11beta,12alpha,14xi,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate 61 65 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3432 2.1395 1.5435 O.3 1 UNL1111111111 -0.4687 2 O 0.8186 -2.3672 -0.1466 O.3 1 UNL1111111111 -0.4165 3 O -1.5368 2.9701 0.5400 O.3 1 UNL1111111111 -0.5683 4 O -0.3334 2.2997 -2.0234 O.3 1 UNL1111111111 -0.5510 5 O -4.5333 0.2312 1.0697 O.3 1 UNL1111111111 -0.5183 6 O 3.2149 -0.6435 0.5048 O.3 1 UNL1111111111 -0.4497 7 O -3.5844 0.8830 -2.0155 O.2 1 UNL1111111111 -0.4281 8 O 2.4268 -3.0311 -1.4860 O.2 1 UNL1111111111 -0.4180 9 O 4.9574 0.4223 -0.4464 O.2 1 UNL1111111111 -0.4802 10 C 0.4789 -0.0229 0.5289 C.3 1 UNL1111111111 -0.0461 11 C -0.8977 0.6050 0.1925 C.3 1 UNL1111111111 -0.2286 12 C -2.0889 0.0669 0.9883 C.3 1 UNL1111111111 0.0237 13 C 1.3369 0.2191 -0.7451 C.3 1 UNL1111111111 -0.1748 14 C -0.4825 2.0857 0.3836 C.3 1 UNL1111111111 0.4277 15 C 0.5075 -1.4926 0.9461 C.3 1 UNL1111111111 0.1208 16 C -2.0858 -1.4863 0.8752 C.3 1 UNL1111111111 -0.1330 17 C 0.9555 0.8606 1.7152 C.3 1 UNL1111111111 -0.0318 18 C 1.6754 1.7160 -0.9170 C.3 1 UNL1111111111 -0.1006 19 C -0.8036 -2.0554 1.4989 C.3 1 UNL1111111111 -0.3079 20 C 0.3736 2.5562 -0.8321 C.3 1 UNL1111111111 0.0890 21 C -3.3920 0.6240 0.3509 C.3 1 UNL1111111111 0.0166 22 C -2.2556 -1.9741 -0.5853 C.3 1 UNL1111111111 -0.0738 23 C 2.5413 -0.7186 -0.7430 C.3 1 UNL1111111111 0.0144 24 C -2.1047 0.4876 2.4599 C.3 1 UNL1111111111 -0.4502 25 C -3.5114 -1.3707 -1.2418 C.3 1 UNL1111111111 -0.4079 26 C -3.5179 0.1222 -1.0871 C.2 1 UNL1111111111 0.4275 27 C 2.3562 1.9779 -2.2590 C.3 1 UNL1111111111 -0.4470 28 C 1.9832 -2.1434 -0.8147 C.2 1 UNL1111111111 0.5553 29 C -2.3600 -3.5016 -0.6506 C.3 1 UNL1111111111 -0.4551 30 C 4.4434 -0.0417 0.5331 C.2 1 UNL1111111111 0.6347 31 C 4.9568 -0.0715 1.9285 C.3 1 UNL1111111111 -0.5124 32 H -1.1295 0.4467 -0.8963 H 1 UNL1111111111 0.1875 33 H 0.7143 -0.0657 -1.6450 H 1 UNL1111111111 0.1852 34 H 1.3278 -1.6564 1.6919 H 1 UNL1111111111 0.1362 35 H -2.9482 -1.8758 1.4712 H 1 UNL1111111111 0.1348 36 H 0.6224 0.4859 2.6953 H 1 UNL1111111111 0.1310 37 H 2.0411 1.0385 1.7331 H 1 UNL1111111111 0.1412 38 H 2.3568 2.0473 -0.0971 H 1 UNL1111111111 0.1476 39 H -0.8262 -1.8975 2.5961 H 1 UNL1111111111 0.1481 40 H -0.7883 -3.1623 1.3725 H 1 UNL1111111111 0.1730 41 H 0.5861 3.6429 -0.7705 H 1 UNL1111111111 0.1414 42 H -3.4410 1.7390 0.4042 H 1 UNL1111111111 0.1917 43 H -1.3536 -1.6637 -1.1720 H 1 UNL1111111111 0.1573 44 H 3.2432 -0.5287 -1.5919 H 1 UNL1111111111 0.1909 45 H -3.0464 0.1978 2.9469 H 1 UNL1111111111 0.1602 46 H -1.2869 0.0443 3.0346 H 1 UNL1111111111 0.1429 47 H -2.0174 1.5751 2.5694 H 1 UNL1111111111 0.1538 48 H -4.4342 -1.8009 -0.8069 H 1 UNL1111111111 0.1665 49 H -3.5428 -1.6459 -2.3178 H 1 UNL1111111111 0.1807 50 H 1.7472 1.6158 -3.0993 H 1 UNL1111111111 0.1686 51 H 2.5061 3.0520 -2.4237 H 1 UNL1111111111 0.1513 52 H 3.3441 1.5042 -2.3146 H 1 UNL1111111111 0.1528 53 H -1.6325 3.2594 1.4762 H 1 UNL1111111111 0.3513 54 H -2.6296 -3.8395 -1.6584 H 1 UNL1111111111 0.1516 55 H -1.3953 -3.9744 -0.4172 H 1 UNL1111111111 0.1612 56 H -3.1068 -3.8975 0.0427 H 1 UNL1111111111 0.1389 57 H -1.2660 2.6091 -1.9508 H 1 UNL1111111111 0.3398 58 H -4.5721 -0.7434 1.1750 H 1 UNL1111111111 0.3072 59 H 4.3739 -0.7313 2.5898 H 1 UNL1111111111 0.1860 60 H 4.9460 0.9394 2.3685 H 1 UNL1111111111 0.1885 61 H 6.0036 -0.4203 1.9469 H 1 UNL1111111111 0.1912 @BOND 1 1 14 1 2 1 17 1 3 2 15 1 4 2 28 1 5 3 14 1 6 3 53 1 7 4 20 1 8 4 57 1 9 5 21 1 10 5 58 1 11 6 23 1 12 6 30 1 13 7 26 2 14 8 28 2 15 9 30 2 16 10 11 1 17 10 13 1 18 10 15 1 19 10 17 1 20 11 12 1 21 11 14 1 22 11 32 1 23 12 16 1 24 12 21 1 25 12 24 1 26 13 18 1 27 13 23 1 28 13 33 1 29 14 20 1 30 15 19 1 31 15 34 1 32 16 19 1 33 16 22 1 34 16 35 1 35 17 36 1 36 17 37 1 37 18 20 1 38 18 27 1 39 18 38 1 40 19 39 1 41 19 40 1 42 20 41 1 43 21 26 1 44 21 42 1 45 22 25 1 46 22 29 1 47 22 43 1 48 23 28 1 49 23 44 1 50 24 45 1 51 24 46 1 52 24 47 1 53 25 26 1 54 25 48 1 55 25 49 1 56 27 50 1 57 27 51 1 58 27 52 1 59 29 54 1 60 29 55 1 61 29 56 1 62 30 31 1 63 31 59 1 64 31 60 1 65 31 61 1