@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 -3.0682 -2.3966 0.8388 S.3 1 UNL11 -0.0092 2 O 0.6574 -1.5092 0.3310 O.3 1 UNL11 -0.4499 3 O 1.7643 2.2954 -2.1534 O.3 1 UNL11 -0.5601 4 O 4.1900 -0.2588 2.7816 O.2 1 UNL11 -0.4571 5 O -0.4935 -1.6398 2.2592 O.2 1 UNL11 -0.4777 6 O -5.9673 0.4916 -0.6439 O.2 1 UNL11 -0.5630 7 N -3.7410 0.0996 -0.7088 N.am 1 UNL11 -0.5897 8 N -5.8116 1.8251 1.7709 N.3 1 UNL11 -0.6215 9 C 4.5516 0.5152 -0.6558 C.3 1 UNL11 0.0759 10 C 4.2713 -0.6220 0.3768 C.3 1 UNL11 -0.2760 11 C 3.0129 -1.4821 0.2489 C.3 1 UNL11 0.0564 12 C 3.6051 1.7498 -0.6226 C.3 1 UNL11 -0.1689 13 C 2.7522 -1.7274 -1.2670 C.3 1 UNL11 -0.0880 14 C 4.6165 -0.1136 -2.0549 C.3 1 UNL11 -0.3061 15 C 5.9443 0.9818 -0.0958 C.3 1 UNL11 -0.2956 16 C 1.7773 -0.9224 1.0108 C.3 1 UNL11 0.1150 17 C 4.0355 -1.5397 -2.1061 C.3 1 UNL11 -0.2848 18 C 4.6474 -0.0069 1.7017 C.2 1 UNL11 0.4811 19 C 2.1713 1.4380 -1.1086 C.3 1 UNL11 0.1071 20 C 5.7716 0.9773 1.4351 C.3 1 UNL11 -0.3892 21 C 1.1174 1.4713 0.0244 C.3 1 UNL11 0.0248 22 C 1.5155 0.5710 1.2041 C.3 1 UNL11 -0.3412 23 C 3.3441 -2.8216 0.9623 C.3 1 UNL11 -0.4659 24 C 4.1676 2.9031 -1.4681 C.3 1 UNL11 -0.4337 25 C 2.1594 -3.1062 -1.5825 C.3 1 UNL11 -0.4435 26 C -0.2303 1.0522 -0.5819 C.3 1 UNL11 -0.4392 27 C 0.9978 2.8789 0.5692 C.2 1 UNL11 -0.1479 28 C -0.4111 -1.8722 1.0832 C.2 1 UNL11 0.6111 29 C 0.1222 3.2341 1.5086 C.2 1 UNL11 -0.3165 30 C -1.3664 -2.6149 0.2007 C.3 1 UNL11 -0.4279 31 C -4.1344 -2.3841 -0.6911 C.3 1 UNL11 0.0421 32 C -3.9053 -1.0973 -1.5306 C.3 1 UNL11 -0.0927 33 C -3.8627 -3.6048 -1.5625 C.3 1 UNL11 -0.4722 34 C -5.5569 -2.4307 -0.1444 C.3 1 UNL11 -0.4633 35 C -4.8552 0.7576 -0.2301 C.2 1 UNL11 0.5376 36 C -4.6374 1.7991 0.8817 C.3 1 UNL11 -0.0369 37 C -4.4025 3.2154 0.2962 C.3 1 UNL11 -0.0667 38 C -2.9726 3.3391 -0.2322 C.3 1 UNL11 -0.4677 39 C -5.4068 3.5573 -0.8049 C.3 1 UNL11 -0.4581 40 H 5.1220 -1.3640 0.1930 H 1 UNL11 0.1838 41 H 3.5587 2.1009 0.4380 H 1 UNL11 0.1451 42 H 1.9950 -0.9682 -1.6094 H 1 UNL11 0.1523 43 H 4.0769 0.5251 -2.7848 H 1 UNL11 0.1593 44 H 5.6583 -0.1350 -2.4226 H 1 UNL11 0.1388 45 H 6.7373 0.2836 -0.4084 H 1 UNL11 0.1390 46 H 6.2534 1.9656 -0.4737 H 1 UNL11 0.1491 47 H 1.8146 -1.3469 2.0579 H 1 UNL11 0.1636 48 H 4.7968 -2.2732 -1.7828 H 1 UNL11 0.1349 49 H 3.8152 -1.7917 -3.1624 H 1 UNL11 0.1378 50 H 2.1273 0.4599 -1.6508 H 1 UNL11 0.1650 51 H 6.6916 0.6862 1.9675 H 1 UNL11 0.1683 52 H 5.5102 1.9758 1.8257 H 1 UNL11 0.1721 53 H 0.6937 0.6393 1.9631 H 1 UNL11 0.1780 54 H 2.3931 1.0116 1.7224 H 1 UNL11 0.1615 55 H 2.4719 -3.4817 1.0040 H 1 UNL11 0.1526 56 H 3.6661 -2.6457 1.9989 H 1 UNL11 0.1612 57 H 4.1424 -3.3661 0.4512 H 1 UNL11 0.1417 58 H 3.5814 3.8185 -1.3330 H 1 UNL11 0.1369 59 H 5.2015 3.1521 -1.2069 H 1 UNL11 0.1407 60 H 4.1458 2.6588 -2.5384 H 1 UNL11 0.1608 61 H 1.8256 -3.1540 -2.6249 H 1 UNL11 0.1372 62 H 1.2879 -3.3183 -0.9523 H 1 UNL11 0.1510 63 H 2.8827 -3.9137 -1.4355 H 1 UNL11 0.1408 64 H -0.1545 0.0774 -1.0790 H 1 UNL11 0.1550 65 H -0.5539 1.7737 -1.3436 H 1 UNL11 0.1556 66 H -1.0034 0.9848 0.1893 H 1 UNL11 0.1386 67 H 1.6953 3.6040 0.1516 H 1 UNL11 0.1329 68 H 1.5782 3.2004 -1.8398 H 1 UNL11 0.3099 69 H -0.5771 2.5511 1.9716 H 1 UNL11 0.1543 70 H 0.0429 4.2367 1.8979 H 1 UNL11 0.1419 71 H -1.1062 -3.6946 0.2114 H 1 UNL11 0.1880 72 H -1.2772 -2.2882 -0.8546 H 1 UNL11 0.1873 73 H -3.0184 -1.2028 -2.1937 H 1 UNL11 0.1412 74 H -4.7837 -0.9541 -2.2107 H 1 UNL11 0.1732 75 H -6.2932 -2.3097 -0.9536 H 1 UNL11 0.1673 76 H -5.7878 -3.3762 0.3617 H 1 UNL11 0.1562 77 H -4.5525 -3.6345 -2.4184 H 1 UNL11 0.1572 78 H -4.0185 -4.5450 -1.0139 H 1 UNL11 0.1639 79 H -2.8473 -3.6301 -1.9719 H 1 UNL11 0.1458 80 H -5.7791 -1.6129 0.5576 H 1 UNL11 0.1689 81 H -2.8248 0.2584 -0.3159 H 1 UNL11 0.3158 82 H -3.7520 1.5108 1.5102 H 1 UNL11 0.1621 83 H -4.5395 3.9413 1.1411 H 1 UNL11 0.1569 84 H -6.6430 2.1180 1.2761 H 1 UNL11 0.2610 85 H -5.9909 0.9182 2.1772 H 1 UNL11 0.2543 86 H -5.2614 4.5789 -1.1709 H 1 UNL11 0.1441 87 H -2.7833 2.6514 -1.0638 H 1 UNL11 0.1506 88 H -2.7826 4.3505 -0.6113 H 1 UNL11 0.1497 89 H -2.2299 3.1472 0.5508 H 1 UNL11 0.1497 90 H -5.3177 2.8827 -1.6657 H 1 UNL11 0.1569 91 H -6.4401 3.4824 -0.4469 H 1 UNL11 0.1495 @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 77 1 77 33 78 1 78 33 79 1 79 34 75 1 80 34 76 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 87 1 89 38 88 1 90 38 89 1 91 39 86 1 92 39 90 1 93 39 91 1