@MOLECULE (1r,3r,4s,5r,6r,7r,8r,11s,13s,17r)-4,6-dihydroxy-16-[(1r)-1-hydroxyethyl]-13-methoxy-5,17,19-trimethyl-2,15-dioxatetracyclo[9.8.0.0~1,7~.0~3,8~]nonadeca-9,18-dien-14-one 64 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9106 -0.9649 1.1809 O.3 1 UNL1111 -0.4198 2 O -2.2166 2.3689 -1.0628 O.3 1 UNL1111 -0.5706 3 O -5.2461 -0.6127 -0.1913 O.3 1 UNL1111 -0.5519 4 O 2.2895 -3.3348 -0.0194 O.3 1 UNL1111 -0.3517 5 O 2.6100 0.1585 0.3748 O.3 1 UNL1111 -0.4595 6 O 3.6909 -1.1379 -1.1099 O.2 1 UNL1111 -0.4974 7 O 3.8355 3.3999 -0.4605 O.3 1 UNL1111 -0.5758 8 C -1.8389 -0.0262 -1.0006 C.3 1 UNL1111 -0.2269 9 C -0.9968 -0.3045 0.2827 C.3 1 UNL1111 0.2401 10 C -2.6521 -1.3510 -1.0301 C.3 1 UNL1111 -0.1437 11 C -3.0689 -1.3771 0.4603 C.3 1 UNL1111 0.0526 12 C -2.8575 1.1253 -0.9280 C.3 1 UNL1111 0.1533 13 C 0.0960 -1.3477 -0.1187 C.3 1 UNL1111 -0.1455 14 C -3.7012 1.0977 0.3643 C.3 1 UNL1111 -0.1660 15 C -4.1817 -0.3265 0.7006 C.3 1 UNL1111 0.0950 16 C -1.7566 -2.5165 -1.2976 C.2 1 UNL1111 -0.2018 17 C -0.4289 0.8671 1.0337 C.2 1 UNL1111 -0.0314 18 C -0.5019 -2.5229 -0.8369 C.2 1 UNL1111 -0.1309 19 C 0.9243 -1.8048 1.0908 C.3 1 UNL1111 -0.2807 20 C -4.8843 2.0539 0.2334 C.3 1 UNL1111 -0.4364 21 C 0.4813 1.7422 0.5845 C.2 1 UNL1111 -0.1970 22 C -0.9076 0.9976 2.4485 C.3 1 UNL1111 -0.4396 23 C 2.3795 -2.1401 0.7213 C.3 1 UNL1111 0.0369 24 C 1.2234 1.7189 -0.7129 C.3 1 UNL1111 -0.1197 25 C 2.7015 1.3358 -0.4333 C.3 1 UNL1111 0.0949 26 C 2.9907 -1.0344 -0.1399 C.2 1 UNL1111 0.5627 27 C 1.1498 3.0753 -1.4142 C.3 1 UNL1111 -0.4427 28 C 3.4865 2.3547 0.4308 C.3 1 UNL1111 0.1556 29 C 3.5293 -3.9787 -0.2606 C.3 1 UNL1111 -0.2132 30 C 4.7146 1.7196 1.0690 C.3 1 UNL1111 -0.5076 31 H -1.1992 0.1096 -1.8924 H 1 UNL1111 0.1680 32 H -3.5179 -1.3094 -1.7188 H 1 UNL1111 0.1693 33 H -3.3203 -2.3743 0.8544 H 1 UNL1111 0.1389 34 H -3.5163 1.1090 -1.8311 H 1 UNL1111 0.1549 35 H 0.7644 -0.8321 -0.8615 H 1 UNL1111 0.1605 36 H -3.0531 1.4434 1.2103 H 1 UNL1111 0.1525 37 H -4.5622 -0.3734 1.7421 H 1 UNL1111 0.1187 38 H -2.1891 -3.3445 -1.8464 H 1 UNL1111 0.1485 39 H 0.1749 -3.3645 -0.9834 H 1 UNL1111 0.1639 40 H 0.9333 -1.0150 1.8711 H 1 UNL1111 0.1709 41 H 0.4458 -2.6878 1.5617 H 1 UNL1111 0.1687 42 H -5.6119 1.6928 -0.5069 H 1 UNL1111 0.1630 43 H -4.5468 3.0460 -0.0954 H 1 UNL1111 0.1557 44 H -5.4170 2.1713 1.1814 H 1 UNL1111 0.1369 45 H -1.5463 2.5106 -0.3608 H 1 UNL1111 0.3247 46 H 0.7892 2.5692 1.2334 H 1 UNL1111 0.1534 47 H -5.7012 -1.4350 0.0697 H 1 UNL1111 0.3096 48 H -0.7140 0.0698 3.0117 H 1 UNL1111 0.1684 49 H -1.9960 1.1576 2.5033 H 1 UNL1111 0.1595 50 H -0.4245 1.8183 2.9915 H 1 UNL1111 0.1474 51 H 3.0036 -2.2881 1.6325 H 1 UNL1111 0.1441 52 H 0.7976 0.9474 -1.4044 H 1 UNL1111 0.1480 53 H 3.2468 1.1368 -1.3820 H 1 UNL1111 0.1593 54 H 1.5027 3.8931 -0.7727 H 1 UNL1111 0.1598 55 H 0.1219 3.3077 -1.7221 H 1 UNL1111 0.1583 56 H 1.7792 3.0948 -2.3125 H 1 UNL1111 0.1554 57 H 2.8347 2.8409 1.1907 H 1 UNL1111 0.1371 58 H 3.2194 -4.9116 -0.7488 H 1 UNL1111 0.1469 59 H 4.0589 -4.1917 0.6708 H 1 UNL1111 0.1184 60 H 4.1497 -3.3856 -0.9442 H 1 UNL1111 0.1522 61 H 5.3526 1.2282 0.3234 H 1 UNL1111 0.1624 62 H 4.4240 0.9509 1.7986 H 1 UNL1111 0.1705 63 H 5.3204 2.4603 1.6023 H 1 UNL1111 0.1505 64 H 4.7954 3.5601 -0.4781 H 1 UNL1111 0.3223 @BOND 1 1 9 1 2 1 11 1 3 2 12 1 4 2 45 1 5 3 15 1 6 3 47 1 7 4 23 1 8 4 29 1 9 5 25 1 10 5 26 1 11 6 26 2 12 7 28 1 13 7 64 1 14 8 9 1 15 8 10 1 16 8 12 1 17 8 31 1 18 9 13 1 19 9 17 1 20 10 11 1 21 10 16 1 22 10 32 1 23 11 15 1 24 11 33 1 25 12 14 1 26 12 34 1 27 13 18 1 28 13 19 1 29 13 35 1 30 14 15 1 31 14 20 1 32 14 36 1 33 15 37 1 34 16 18 2 35 16 38 1 36 17 21 2 37 17 22 1 38 18 39 1 39 19 23 1 40 19 40 1 41 19 41 1 42 20 42 1 43 20 43 1 44 20 44 1 45 21 24 1 46 21 46 1 47 22 48 1 48 22 49 1 49 22 50 1 50 23 26 1 51 23 51 1 52 24 25 1 53 24 27 1 54 24 52 1 55 25 28 1 56 25 53 1 57 27 54 1 58 27 55 1 59 27 56 1 60 28 30 1 61 28 57 1 62 29 58 1 63 29 59 1 64 29 60 1 65 30 61 1 66 30 62 1 67 30 63 1