@MOLECULE (1s,2r,3s,4s,6r,7r,8r,14r)-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[2-methyl-1-(d-valylamino)-2-propanyl]sulfanyl}acetate 91 93 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.8522 -1.9441 -1.2132 S.3 1 UNL11 -0.0118 2 O 0.3414 -0.6493 0.5512 O.3 1 UNL11 -0.4549 3 O 4.0838 3.6975 -0.3147 O.3 1 UNL11 -0.5529 4 O 5.1403 -1.9516 2.3500 O.2 1 UNL11 -0.4711 5 O -0.0263 -1.0199 -1.6396 O.2 1 UNL11 -0.4856 6 O -7.1107 -0.2002 0.7894 O.2 1 UNL11 -0.5652 7 N -4.8831 -0.2179 0.3966 N.am 1 UNL11 -0.5912 8 N -7.6507 2.1599 -0.3962 N.3 1 UNL11 -0.6179 9 C 4.6506 0.1177 -0.5192 C.3 1 UNL11 0.0651 10 C 4.0571 -0.3763 0.8321 C.3 1 UNL11 -0.2670 11 C 2.7005 -1.0896 0.7296 C.3 1 UNL11 0.0497 12 C 3.9633 1.3812 -1.0890 C.3 1 UNL11 -0.1787 13 C 2.7213 -2.2225 -0.3310 C.3 1 UNL11 -0.0929 14 C 4.6083 -1.0252 -1.5571 C.3 1 UNL11 -0.2885 15 C 6.1414 0.3910 -0.1601 C.3 1 UNL11 -0.2893 16 C 1.6226 -0.0423 0.2870 C.3 1 UNL11 0.1034 17 C 3.2391 -1.6924 -1.6802 C.3 1 UNL11 -0.2883 18 C 5.2069 -1.1465 1.4630 C.2 1 UNL11 0.5012 19 C 3.6031 2.4133 0.0110 C.3 1 UNL11 0.1236 20 C 6.5199 -0.6782 0.8690 C.3 1 UNL11 -0.3943 21 C 2.0717 2.5027 0.3143 C.3 1 UNL11 0.0071 22 C 1.5880 1.2600 1.0921 C.3 1 UNL11 -0.3286 23 C 2.2767 -1.6312 2.1002 C.3 1 UNL11 -0.4600 24 C 4.8310 2.0329 -2.1733 C.3 1 UNL11 -0.4336 25 C 3.5273 -3.4532 0.0954 C.3 1 UNL11 -0.4475 26 C 1.8502 3.7274 1.2263 C.3 1 UNL11 -0.4426 27 C 1.3013 2.7468 -0.9538 C.2 1 UNL11 -0.1485 28 C -0.3585 -1.1575 -0.4924 C.2 1 UNL11 0.6162 29 C 0.0276 2.4080 -1.1483 C.2 1 UNL11 -0.3052 30 C -1.5327 -1.9061 0.0580 C.3 1 UNL11 -0.4268 31 C -4.3394 -2.5660 -0.2731 C.3 1 UNL11 0.0456 32 C -4.7236 -1.5919 0.8669 C.3 1 UNL11 -0.1006 33 C -5.4515 -2.6419 -1.3130 C.3 1 UNL11 -0.4599 34 C -4.0661 -3.9400 0.3269 C.3 1 UNL11 -0.4720 35 C -6.1281 0.3631 0.3457 C.2 1 UNL11 0.5320 36 C -6.2380 1.7441 -0.3256 C.3 1 UNL11 -0.0459 37 C -5.4235 2.8427 0.4066 C.3 1 UNL11 -0.0737 38 C -5.4296 2.6536 1.9240 C.3 1 UNL11 -0.4630 39 C -3.9862 2.9040 -0.1209 C.3 1 UNL11 -0.4537 40 H 3.9245 0.5032 1.5223 H 1 UNL11 0.1702 41 H 3.0172 1.0463 -1.5902 H 1 UNL11 0.1571 42 H 1.6656 -2.5646 -0.4804 H 1 UNL11 0.1330 43 H 5.3570 -1.7959 -1.2836 H 1 UNL11 0.1436 44 H 4.9261 -0.6483 -2.5475 H 1 UNL11 0.1385 45 H 6.2574 1.4060 0.2598 H 1 UNL11 0.1526 46 H 6.7857 0.3570 -1.0507 H 1 UNL11 0.1459 47 H 1.6971 0.1705 -0.8056 H 1 UNL11 0.1613 48 H 2.5011 -0.9943 -2.1239 H 1 UNL11 0.1506 49 H 3.2977 -2.5279 -2.4046 H 1 UNL11 0.1421 50 H 4.1686 2.2247 0.9542 H 1 UNL11 0.1442 51 H 7.1932 -0.2951 1.6549 H 1 UNL11 0.1709 52 H 7.0576 -1.5276 0.4109 H 1 UNL11 0.1688 53 H 0.5408 1.4346 1.4307 H 1 UNL11 0.1724 54 H 2.1566 1.1621 2.0365 H 1 UNL11 0.1544 55 H 1.3141 -2.1511 2.0446 H 1 UNL11 0.1498 56 H 2.1740 -0.8323 2.8413 H 1 UNL11 0.1441 57 H 3.0079 -2.3451 2.5049 H 1 UNL11 0.1768 58 H 5.6735 2.5881 -1.7402 H 1 UNL11 0.1601 59 H 4.2503 2.7361 -2.7799 H 1 UNL11 0.1344 60 H 5.2444 1.2874 -2.8625 H 1 UNL11 0.1463 61 H 3.1534 -3.8766 1.0346 H 1 UNL11 0.1503 62 H 4.5860 -3.2234 0.2483 H 1 UNL11 0.1481 63 H 3.4702 -4.2403 -0.6648 H 1 UNL11 0.1403 64 H 2.4094 3.6357 2.1635 H 1 UNL11 0.1491 65 H 0.7911 3.8570 1.4700 H 1 UNL11 0.1443 66 H 2.1931 4.6518 0.7450 H 1 UNL11 0.1582 67 H 1.8611 3.2705 -1.7299 H 1 UNL11 0.1346 68 H 3.6765 4.0416 -1.1327 H 1 UNL11 0.3117 69 H -0.5052 2.6105 -2.0652 H 1 UNL11 0.1465 70 H -0.5803 1.8901 -0.4225 H 1 UNL11 0.1482 71 H -1.8911 -1.4483 1.0022 H 1 UNL11 0.1885 72 H -1.2163 -2.9389 0.3177 H 1 UNL11 0.1915 73 H -5.6828 -1.9396 1.3332 H 1 UNL11 0.1820 74 H -3.9688 -1.6107 1.6856 H 1 UNL11 0.1388 75 H -5.6628 -1.6718 -1.7845 H 1 UNL11 0.1610 76 H -5.2372 -3.3614 -2.1143 H 1 UNL11 0.1596 77 H -6.3983 -2.9590 -0.8486 H 1 UNL11 0.1652 78 H -3.2854 -3.9273 1.0961 H 1 UNL11 0.1486 79 H -3.7644 -4.6730 -0.4342 H 1 UNL11 0.1654 80 H -4.9709 -4.3476 0.8013 H 1 UNL11 0.1592 81 H -4.0739 0.2255 -0.0135 H 1 UNL11 0.3230 82 H -5.8705 1.6523 -1.3844 H 1 UNL11 0.1640 83 H -5.9227 3.8214 0.1669 H 1 UNL11 0.1617 84 H -8.0355 2.3163 0.5256 H 1 UNL11 0.2567 85 H -8.2203 1.4540 -0.8451 H 1 UNL11 0.2596 86 H -4.8626 1.7679 2.2344 H 1 UNL11 0.1542 87 H -4.9837 3.5173 2.4305 H 1 UNL11 0.1483 88 H -6.4481 2.5387 2.3140 H 1 UNL11 0.1507 89 H -3.9577 2.9522 -1.2156 H 1 UNL11 0.1495 90 H -3.4797 3.8041 0.2511 H 1 UNL11 0.1518 91 H -3.3812 2.0509 0.2002 H 1 UNL11 0.1397 @BOND 1 1 30 1 2 1 31 1 3 2 16 1 4 2 28 1 5 3 19 1 6 3 68 1 7 4 18 2 8 5 28 2 9 6 35 2 10 7 32 1 11 7 35 am 12 7 81 1 13 8 36 1 14 8 84 1 15 8 85 1 16 9 10 1 17 9 14 1 18 9 15 1 19 10 11 1 20 10 18 1 21 10 40 1 22 11 13 1 23 11 23 1 24 12 9 1 25 12 24 1 26 12 41 1 27 13 17 1 28 13 25 1 29 13 42 1 30 14 17 1 31 14 43 1 32 14 44 1 33 15 20 1 34 15 45 1 35 15 46 1 36 16 11 1 37 16 22 1 38 16 47 1 39 17 48 1 40 17 49 1 41 18 20 1 42 19 12 1 43 19 50 1 44 20 51 1 45 20 52 1 46 21 19 1 47 21 22 1 48 21 26 1 49 21 27 1 50 22 53 1 51 22 54 1 52 23 55 1 53 23 56 1 54 23 57 1 55 24 58 1 56 24 59 1 57 24 60 1 58 25 61 1 59 25 62 1 60 25 63 1 61 26 64 1 62 26 65 1 63 26 66 1 64 27 29 2 65 27 67 1 66 28 30 1 67 29 69 1 68 29 70 1 69 30 71 1 70 30 72 1 71 31 32 1 72 31 33 1 73 31 34 1 74 32 73 1 75 32 74 1 76 33 75 1 77 33 76 1 78 33 77 1 79 34 78 1 80 34 79 1 81 34 80 1 82 35 36 1 83 36 37 1 84 36 82 1 85 37 38 1 86 37 39 1 87 37 83 1 88 38 86 1 89 38 87 1 90 38 88 1 91 39 89 1 92 39 90 1 93 39 91 1