@MOLECULE (1'r,2r,4's,5s,6s,8'r,13'r,20'r,21'r,24's)-6-[(2e)-2-buten-2-yl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'h-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one 89 93 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.9340 -0.1955 -1.6542 O.3 1 UNL111 -0.4736 2 O 3.4130 1.4219 -0.0720 O.3 1 UNL111 -0.4655 3 O -0.6800 1.3807 -0.6272 O.3 1 UNL111 -0.4279 4 O -5.8435 -0.1145 -0.3564 O.3 1 UNL111 -0.4270 5 O -3.7625 0.9161 2.1265 O.3 1 UNL111 -0.5573 6 O -5.3084 2.0023 -1.8081 O.3 1 UNL111 -0.5467 7 O -1.1540 1.3447 1.5732 O.2 1 UNL111 -0.5492 8 C 2.9429 1.1835 -1.3750 C.3 1 UNL111 0.4729 9 C 1.5185 1.7688 -1.3558 C.3 1 UNL111 -0.3785 10 C 3.8514 1.7977 -2.4478 C.3 1 UNL111 -0.3342 11 C 0.6737 0.9479 -0.3828 C.3 1 UNL111 0.1664 12 C -3.8784 0.7209 0.7467 C.3 1 UNL111 0.2751 13 C 5.7182 1.7112 -0.7584 C.3 1 UNL111 -0.1301 14 C 5.3046 1.3865 -2.2034 C.3 1 UNL111 -0.2670 15 C 2.1784 -0.9939 -0.7486 C.3 1 UNL111 0.1525 16 C 0.7159 -0.5373 -0.7415 C.3 1 UNL111 -0.3783 17 C -5.3713 0.9873 0.4126 C.3 1 UNL111 0.0254 18 C 4.7436 0.9834 0.1939 C.3 1 UNL111 0.1050 19 C -2.9284 1.6614 -0.0467 C.3 1 UNL111 -0.2604 20 C -5.6151 2.2530 -0.4459 C.3 1 UNL111 0.1041 21 C -3.6747 -0.7319 0.3817 C.2 1 UNL111 -0.1265 22 C -3.3796 3.0751 0.1428 C.2 1 UNL111 -0.1673 23 C -1.5136 1.4594 0.4223 C.2 1 UNL111 0.6235 24 C 2.3436 -2.4150 -1.3123 C.3 1 UNL111 -0.3016 25 C -4.6770 3.3604 -0.0292 C.2 1 UNL111 0.0121 26 C -4.8864 -1.1782 -0.3630 C.3 1 UNL111 -0.0331 27 C 7.1575 1.2658 -0.5064 C.3 1 UNL111 -0.4571 28 C 4.9671 1.3445 1.6417 C.2 1 UNL111 -0.0110 29 C -2.6153 -1.4633 0.7381 C.2 1 UNL111 -0.1362 30 C 1.7327 -3.4081 -0.3850 C.2 1 UNL111 -0.2217 31 C -5.2692 4.7086 0.1470 C.3 1 UNL111 -0.4469 32 C 4.2870 2.5829 2.1074 C.3 1 UNL111 -0.4331 33 C 5.7174 0.5527 2.4194 C.2 1 UNL111 -0.1913 34 C 0.8419 -4.3424 -0.7443 C.2 1 UNL111 0.0358 35 C -2.4268 -2.8542 0.3631 C.2 1 UNL111 -0.2056 36 C 0.2819 -5.2919 0.2753 C.3 1 UNL111 -0.3044 37 C -1.2226 -5.0306 0.5076 C.3 1 UNL111 -0.0913 38 C -1.4458 -3.5990 0.8919 C.2 1 UNL111 -0.1045 39 C 6.0039 0.8298 3.8540 C.3 1 UNL111 -0.4320 40 C 0.3389 -4.5093 -2.1392 C.3 1 UNL111 -0.4549 41 C -1.7467 -5.9352 1.6304 C.3 1 UNL111 -0.4510 42 H 1.5420 2.8322 -1.0552 H 1 UNL111 0.1686 43 H 1.0845 1.7361 -2.3735 H 1 UNL111 0.1737 44 H 3.7513 2.8985 -2.4256 H 1 UNL111 0.1536 45 H 3.5219 1.4656 -3.4508 H 1 UNL111 0.1585 46 H 0.9563 1.1414 0.6772 H 1 UNL111 0.1633 47 H 5.6313 2.8098 -0.5865 H 1 UNL111 0.1468 48 H 5.4233 0.3017 -2.3980 H 1 UNL111 0.1521 49 H 5.9739 1.9004 -2.9164 H 1 UNL111 0.1368 50 H 2.6320 -0.8993 0.2637 H 1 UNL111 0.1334 51 H 0.2502 -0.7054 -1.7318 H 1 UNL111 0.1684 52 H 0.1266 -1.1440 -0.0287 H 1 UNL111 0.1660 53 H -5.9767 1.0065 1.3463 H 1 UNL111 0.1650 54 H 4.7815 -0.1175 0.0269 H 1 UNL111 0.1360 55 H -3.0086 1.4071 -1.1458 H 1 UNL111 0.2175 56 H -6.6866 2.5495 -0.4090 H 1 UNL111 0.1337 57 H -2.6329 3.8091 0.4211 H 1 UNL111 0.1614 58 H 1.9169 -2.4587 -2.3335 H 1 UNL111 0.1567 59 H 3.4260 -2.6307 -1.4479 H 1 UNL111 0.1609 60 H -4.6962 -1.4001 -1.4288 H 1 UNL111 0.1414 61 H -5.3987 -2.0344 0.1165 H 1 UNL111 0.1492 62 H 7.8555 1.7818 -1.1746 H 1 UNL111 0.1460 63 H 7.4669 1.4866 0.5233 H 1 UNL111 0.1535 64 H 7.2842 0.1890 -0.6637 H 1 UNL111 0.1464 65 H -2.8173 1.0635 2.3836 H 1 UNL111 0.3579 66 H -1.8205 -1.0222 1.3526 H 1 UNL111 0.1696 67 H 2.0733 -3.3244 0.6470 H 1 UNL111 0.1503 68 H -4.5219 5.4698 0.4106 H 1 UNL111 0.1559 69 H -5.7618 5.0474 -0.7788 H 1 UNL111 0.1644 70 H -6.0287 4.7143 0.9435 H 1 UNL111 0.1587 71 H -5.5879 1.0860 -2.0383 H 1 UNL111 0.3305 72 H 4.2553 3.3529 1.3224 H 1 UNL111 0.1577 73 H 4.7629 3.0264 2.9898 H 1 UNL111 0.1461 74 H 3.2367 2.3637 2.3664 H 1 UNL111 0.1693 75 H 6.1704 -0.3568 2.0295 H 1 UNL111 0.1425 76 H -3.1172 -3.2609 -0.3746 H 1 UNL111 0.1493 77 H 0.4308 -6.3382 -0.0585 H 1 UNL111 0.1474 78 H 0.8274 -5.2155 1.2370 H 1 UNL111 0.1489 79 H -1.7738 -5.2706 -0.4356 H 1 UNL111 0.1411 80 H -0.7532 -3.2063 1.6357 H 1 UNL111 0.1519 81 H 6.5814 0.0253 4.3256 H 1 UNL111 0.1426 82 H 5.0761 0.9454 4.4341 H 1 UNL111 0.1558 83 H 6.5807 1.7581 3.9768 H 1 UNL111 0.1510 84 H -0.2777 -5.4076 -2.2651 H 1 UNL111 0.1483 85 H 1.1637 -4.5858 -2.8620 H 1 UNL111 0.1568 86 H -0.2798 -3.6486 -2.4377 H 1 UNL111 0.1623 87 H -1.2248 -5.7505 2.5761 H 1 UNL111 0.1494 88 H -2.8149 -5.7625 1.8088 H 1 UNL111 0.1517 89 H -1.6192 -6.9938 1.3820 H 1 UNL111 0.1440 @BOND 1 45 10 1 2 49 14 1 3 85 40 1 4 10 44 1 5 10 14 1 6 10 8 1 7 86 40 1 8 48 14 1 9 43 9 1 10 58 24 1 11 84 40 1 12 14 13 1 13 40 34 1 14 71 6 1 15 6 20 1 16 51 16 1 17 1 8 1 18 1 15 1 19 59 24 1 20 60 26 1 21 8 9 1 22 8 2 1 23 9 42 1 24 9 11 1 25 24 15 1 26 24 30 1 27 62 27 1 28 55 19 1 29 69 31 1 30 13 47 1 31 13 27 1 32 13 18 1 33 15 16 1 34 15 50 1 35 34 30 2 36 34 36 1 37 16 11 1 38 16 52 1 39 64 27 1 40 3 11 1 41 3 23 1 42 27 63 1 43 20 56 1 44 20 25 1 45 20 17 1 46 79 37 1 47 30 67 1 48 11 46 1 49 76 35 1 50 26 4 1 51 26 61 1 52 26 21 1 53 4 17 1 54 2 18 1 55 77 36 1 56 19 22 1 57 19 23 1 58 19 12 1 59 25 22 2 60 25 31 1 61 54 18 1 62 22 57 1 63 31 68 1 64 31 70 1 65 18 28 1 66 36 37 1 67 36 78 1 68 35 29 1 69 35 38 2 70 21 29 2 71 21 12 1 72 17 12 1 73 17 53 1 74 23 7 2 75 37 38 1 76 37 41 1 77 29 66 1 78 12 5 1 79 38 80 1 80 72 32 1 81 89 41 1 82 41 88 1 83 41 87 1 84 28 32 1 85 28 33 2 86 75 33 1 87 32 74 1 88 32 73 1 89 5 65 1 90 33 39 1 91 39 83 1 92 39 81 1 93 39 82 1