@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 USER_CHARGES @ATOM 1 O -1.8861 -1.3122 0.7051 O.3 1 UNL11111111 -0.4230 2 O -2.1281 2.5959 -0.1579 O.3 1 UNL11111111 -0.5733 3 O -5.2746 -0.4746 -0.0468 O.3 1 UNL11111111 -0.5685 4 O 2.7105 -3.1739 0.7992 O.3 1 UNL11111111 -0.3439 5 O 2.6998 -0.1007 -0.8961 O.3 1 UNL11111111 -0.4894 6 O 2.9100 -0.3933 1.3343 O.2 1 UNL11111111 -0.4797 7 O 3.7165 3.3069 -0.3371 O.3 1 UNL11111111 -0.5781 8 C -1.9531 0.3236 -1.0080 C.3 1 UNL11111111 -0.2284 9 C -1.0085 -0.4399 -0.0320 C.3 1 UNL11111111 0.2438 10 C -2.8867 -0.8581 -1.3928 C.3 1 UNL11111111 -0.1526 11 C -3.1417 -1.4023 0.0339 C.3 1 UNL11111111 0.0949 12 C -2.8477 1.4122 -0.3847 C.3 1 UNL11111111 0.1579 13 C -0.0772 -1.3718 -0.8750 C.3 1 UNL11111111 -0.1605 14 C -3.5247 0.9498 0.9242 C.3 1 UNL11111111 -0.2040 15 C -4.1233 -0.4616 0.7763 C.3 1 UNL11111111 0.0986 16 C -2.1347 -1.8762 -2.1849 C.2 1 UNL11111111 -0.1767 17 C -0.2297 0.3693 0.9667 C.2 1 UNL11111111 -0.0364 18 C -0.8466 -2.1206 -1.9250 C.2 1 UNL11111111 -0.1476 19 C 0.6744 -2.3540 0.0352 C.3 1 UNL11111111 -0.2941 20 C -4.5787 1.9685 1.3500 C.3 1 UNL11111111 -0.4464 21 C 0.6922 1.2991 0.6757 C.2 1 UNL11111111 -0.2110 22 C -0.4557 0.0271 2.4070 C.3 1 UNL11111111 -0.4457 23 C 2.1972 -2.2405 -0.1279 C.3 1 UNL11111111 0.0295 24 C 1.1650 1.7347 -0.6715 C.3 1 UNL11111111 -0.1347 25 C 2.6411 1.3190 -0.8953 C.3 1 UNL11111111 0.1221 26 C 2.6347 -0.8280 0.2526 C.2 1 UNL11111111 0.5772 27 C 1.0182 3.2512 -0.8238 C.3 1 UNL11111111 -0.4400 28 C 3.6720 1.9443 0.0706 C.3 1 UNL11111111 0.1404 29 C 4.1195 -3.3146 0.7479 C.3 1 UNL11111111 -0.2112 30 C 5.0513 1.3113 -0.0869 C.3 1 UNL11111111 -0.5008 31 H -1.4056 0.7441 -1.8706 H 1 UNL11111111 0.1662 32 H -3.8189 -0.5338 -1.8958 H 1 UNL11111111 0.1726 33 H -3.4388 -2.4619 0.0845 H 1 UNL11111111 0.1498 34 H -3.6089 1.7479 -1.1304 H 1 UNL11111111 0.1476 35 H 0.6531 -0.7134 -1.4198 H 1 UNL11111111 0.1736 36 H -2.7382 0.8995 1.7210 H 1 UNL11111111 0.1662 37 H -4.4055 -0.8771 1.7672 H 1 UNL11111111 0.1240 38 H -2.6952 -2.4031 -2.9488 H 1 UNL11111111 0.1471 39 H -0.2728 -2.8643 -2.4723 H 1 UNL11111111 0.1450 40 H 0.3987 -2.2017 1.1019 H 1 UNL11111111 0.1842 41 H 0.3646 -3.4005 -0.1616 H 1 UNL11111111 0.1689 42 H -5.3706 2.0864 0.6019 H 1 UNL11111111 0.1416 43 H -5.0406 1.7019 2.3056 H 1 UNL11111111 0.1405 44 H -4.1184 2.9620 1.4697 H 1 UNL11111111 0.1667 45 H -1.3660 2.4499 0.4442 H 1 UNL11111111 0.3296 46 H 1.2108 1.8100 1.4960 H 1 UNL11111111 0.1666 47 H -5.9431 0.1573 0.2819 H 1 UNL11111111 0.3220 48 H 0.2142 -0.7977 2.7079 H 1 UNL11111111 0.1736 49 H -1.4787 -0.3161 2.6200 H 1 UNL11111111 0.1676 50 H -0.2428 0.8676 3.0799 H 1 UNL11111111 0.1531 51 H 2.5285 -2.4977 -1.1594 H 1 UNL11111111 0.1513 52 H 0.5626 1.2479 -1.4824 H 1 UNL11111111 0.1479 53 H 2.9395 1.5400 -1.9511 H 1 UNL11111111 0.1555 54 H 1.5255 3.6149 -1.7256 H 1 UNL11111111 0.1537 55 H -0.0365 3.5462 -0.8959 H 1 UNL11111111 0.1582 56 H 1.4650 3.7929 0.0203 H 1 UNL11111111 0.1627 57 H 3.3250 1.9276 1.1279 H 1 UNL11111111 0.1472 58 H 4.6128 -2.3950 1.0817 H 1 UNL11111111 0.1344 59 H 4.4579 -3.6085 -0.2492 H 1 UNL11111111 0.1217 60 H 4.3055 -4.1215 1.4692 H 1 UNL11111111 0.1509 61 H 5.7925 1.8012 0.5539 H 1 UNL11111111 0.1484 62 H 5.0380 0.2510 0.1959 H 1 UNL11111111 0.1673 63 H 5.4057 1.3724 -1.1225 H 1 UNL11111111 0.1568 64 H 4.5438 3.7310 -0.0475 H 1 UNL11111111 0.3189 @BOND 1 38 16 1 2 39 18 1 3 16 18 2 4 16 10 1 5 53 25 1 6 18 13 1 7 32 10 1 8 31 8 1 9 54 27 1 10 52 24 1 11 35 13 1 12 10 8 1 13 10 11 1 14 51 23 1 15 34 12 1 16 63 30 1 17 8 12 1 18 8 9 1 19 5 25 1 20 5 26 1 21 55 27 1 22 25 24 1 23 25 28 1 24 13 9 1 25 13 19 1 26 27 24 1 27 27 56 1 28 24 21 1 29 12 2 1 30 12 14 1 31 7 64 1 32 7 28 1 33 59 29 1 34 41 19 1 35 2 45 1 36 23 19 1 37 23 26 1 38 23 4 1 39 30 28 1 40 30 62 1 41 30 61 1 42 3 47 1 43 3 15 1 44 9 1 1 45 9 17 1 46 11 33 1 47 11 1 1 48 11 15 1 49 19 40 1 50 28 57 1 51 26 6 2 52 42 20 1 53 21 17 2 54 21 46 1 55 29 4 1 56 29 58 1 57 29 60 1 58 15 14 1 59 15 37 1 60 14 20 1 61 14 36 1 62 17 22 1 63 20 44 1 64 20 43 1 65 22 49 1 66 22 48 1 67 22 50 1