@MOLECULE (1s,2r,3s,4r,7r,9s,12r,14s,17r,18r,19r,21r,22s)-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~12,14~]tetracosane-2,9-diol 83 89 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5089 -0.1198 1.3544 O.3 1 UNL11 -0.3863 2 O -3.4992 0.5217 -0.8251 O.3 1 UNL11 -0.4311 3 O -1.5663 2.1176 -0.0166 O.3 1 UNL11 -0.5499 4 O 7.6702 0.1649 -0.0371 O.3 1 UNL11 -0.5735 5 O -4.8149 2.2948 0.7850 O.3 1 UNL11 -0.5475 6 C 2.0537 -0.8298 -0.1082 C.3 1 UNL11 0.0096 7 C 3.5492 -0.4739 -0.2302 C.3 1 UNL11 -0.0278 8 C 1.0731 0.2783 0.2829 C.3 1 UNL11 -0.1046 9 C 3.0375 -1.2079 0.9910 C.3 1 UNL11 -0.3834 10 C -0.3335 0.0239 -0.2703 C.3 1 UNL11 0.0226 11 C 3.9886 0.9837 -0.2070 C.3 1 UNL11 -0.1162 12 C -0.7351 -1.4721 0.0361 C.3 1 UNL11 0.0582 13 C 1.5493 -1.9191 -1.0394 C.3 1 UNL11 -0.2606 14 C 4.4476 -1.2667 -1.1651 C.3 1 UNL11 -0.2759 15 C 1.5962 1.6697 -0.0987 C.3 1 UNL11 -0.2767 16 C 0.0852 -2.3866 -0.8741 C.3 1 UNL11 -0.2789 17 C -2.2676 -1.4749 -0.2397 C.3 1 UNL11 -0.2322 18 C -1.4462 0.8105 0.4808 C.3 1 UNL11 0.0878 19 C 2.9788 1.8795 0.5242 C.3 1 UNL11 -0.2820 20 C 5.4369 1.1352 0.3351 C.3 1 UNL11 0.0289 21 C -2.6927 -0.0495 0.2052 C.3 1 UNL11 0.3614 22 C 5.8910 -1.1997 -0.6589 C.3 1 UNL11 -0.2966 23 C -0.4369 0.3708 -1.7595 C.3 1 UNL11 -0.4511 24 C 6.3560 0.2583 -0.5631 C.3 1 UNL11 0.1389 25 C -3.1542 -2.4963 0.4951 C.3 1 UNL11 -0.0575 26 C -0.4625 -1.8647 1.4963 C.3 1 UNL11 -0.4699 27 C -4.7634 -0.5497 0.8274 C.3 1 UNL11 0.0814 28 C -4.6419 -2.0481 0.4862 C.3 1 UNL11 -0.3450 29 C 5.5650 0.7184 1.8004 C.3 1 UNL11 -0.4517 30 C 5.8919 2.5990 0.1891 C.3 1 UNL11 -0.4690 31 C -4.8639 0.3096 -0.4679 C.3 1 UNL11 0.0292 32 C -3.0275 -3.8814 -0.1421 C.3 1 UNL11 -0.4603 33 C -5.5155 1.7005 -0.2895 C.3 1 UNL11 0.3053 34 C -6.9979 1.5755 0.0739 C.3 1 UNL11 -0.5151 35 C -5.3124 2.5406 -1.5522 C.3 1 UNL11 -0.5064 36 H 0.9914 0.2698 1.4057 H 1 UNL11 0.1442 37 H 2.9892 -0.6974 1.9475 H 1 UNL11 0.1584 38 H 3.3160 -2.2443 1.1424 H 1 UNL11 0.1529 39 H 4.0057 1.3273 -1.2784 H 1 UNL11 0.1400 40 H 2.1993 -2.8131 -0.9482 H 1 UNL11 0.1333 41 H 1.6892 -1.5579 -2.0812 H 1 UNL11 0.1411 42 H 4.3741 -0.8679 -2.1947 H 1 UNL11 0.1412 43 H 4.1352 -2.3259 -1.2332 H 1 UNL11 0.1410 44 H 0.8808 2.4424 0.2483 H 1 UNL11 0.1608 45 H 1.6506 1.7856 -1.1960 H 1 UNL11 0.1444 46 H -0.3857 -2.4488 -1.8735 H 1 UNL11 0.1362 47 H 0.0710 -3.4195 -0.4791 H 1 UNL11 0.1342 48 H -2.4408 -1.5794 -1.3352 H 1 UNL11 0.1617 49 H -1.2518 0.9084 1.5711 H 1 UNL11 0.1467 50 H 3.2732 2.9408 0.4398 H 1 UNL11 0.1354 51 H 2.9593 1.6538 1.6048 H 1 UNL11 0.1408 52 H 5.9790 -1.6823 0.3343 H 1 UNL11 0.1583 53 H 6.5734 -1.7628 -1.3220 H 1 UNL11 0.1483 54 H -1.3769 0.0221 -2.2003 H 1 UNL11 0.1481 55 H -0.4261 1.4634 -1.8985 H 1 UNL11 0.1691 56 H 0.3884 -0.0453 -2.3417 H 1 UNL11 0.1454 57 H 6.4518 0.7114 -1.5758 H 1 UNL11 0.1129 58 H -2.8395 -2.5531 1.5665 H 1 UNL11 0.1514 59 H 0.6079 -1.8306 1.7337 H 1 UNL11 0.1631 60 H -0.9874 -1.2132 2.2030 H 1 UNL11 0.1512 61 H -0.7850 -2.8935 1.6935 H 1 UNL11 0.1450 62 H -5.5047 -0.3136 1.6039 H 1 UNL11 0.1524 63 H -5.0973 -2.2675 -0.4939 H 1 UNL11 0.1447 64 H -5.2018 -2.6517 1.2214 H 1 UNL11 0.1441 65 H 5.2520 -0.3231 1.9455 H 1 UNL11 0.1580 66 H 4.9500 1.3438 2.4548 H 1 UNL11 0.1425 67 H 6.6018 0.7858 2.1491 H 1 UNL11 0.1461 68 H 5.3447 3.2549 0.8762 H 1 UNL11 0.1531 69 H 5.7266 2.9755 -0.8259 H 1 UNL11 0.1464 70 H 6.9552 2.7193 0.4194 H 1 UNL11 0.1370 71 H -5.3217 -0.2257 -1.3212 H 1 UNL11 0.1393 72 H -2.5260 2.3630 -0.0393 H 1 UNL11 0.3457 73 H -1.9868 -4.2269 -0.1243 H 1 UNL11 0.1491 74 H -3.6294 -4.6242 0.3913 H 1 UNL11 0.1400 75 H -3.3528 -3.8801 -1.1877 H 1 UNL11 0.1432 76 H 7.9637 1.0165 0.3339 H 1 UNL11 0.3134 77 H -7.4952 2.5515 0.0715 H 1 UNL11 0.1546 78 H -7.5362 0.9335 -0.6298 H 1 UNL11 0.1554 79 H -7.1218 1.1551 1.0798 H 1 UNL11 0.1619 80 H -4.2404 2.6094 -1.7972 H 1 UNL11 0.1787 81 H -5.6862 3.5609 -1.4286 H 1 UNL11 0.1482 82 H -5.8150 2.1008 -2.4188 H 1 UNL11 0.1553 83 H -5.1509 3.1933 0.9660 H 1 UNL11 0.3114 @BOND 1 1 21 1 2 1 27 1 3 2 21 1 4 2 31 1 5 3 18 1 6 3 72 1 7 4 24 1 8 4 76 1 9 5 33 1 10 5 83 1 11 6 7 1 12 6 8 1 13 6 9 1 14 6 13 1 15 7 9 1 16 7 11 1 17 7 14 1 18 8 10 1 19 8 15 1 20 8 36 1 21 9 37 1 22 9 38 1 23 10 12 1 24 10 18 1 25 10 23 1 26 11 19 1 27 11 20 1 28 11 39 1 29 12 16 1 30 12 17 1 31 12 26 1 32 13 16 1 33 13 40 1 34 13 41 1 35 14 22 1 36 14 42 1 37 14 43 1 38 15 19 1 39 15 44 1 40 15 45 1 41 16 46 1 42 16 47 1 43 17 21 1 44 17 25 1 45 17 48 1 46 18 21 1 47 18 49 1 48 19 50 1 49 19 51 1 50 20 24 1 51 20 29 1 52 20 30 1 53 22 24 1 54 22 52 1 55 22 53 1 56 23 54 1 57 23 55 1 58 23 56 1 59 24 57 1 60 25 28 1 61 25 32 1 62 25 58 1 63 26 59 1 64 26 60 1 65 26 61 1 66 27 28 1 67 27 31 1 68 27 62 1 69 28 63 1 70 28 64 1 71 29 65 1 72 29 66 1 73 29 67 1 74 30 68 1 75 30 69 1 76 30 70 1 77 31 33 1 78 31 71 1 79 32 73 1 80 32 74 1 81 32 75 1 82 33 34 1 83 33 35 1 84 34 77 1 85 34 78 1 86 34 79 1 87 35 80 1 88 35 81 1 89 35 82 1