@MOLECULE (2alpha,3xi,5alpha,7beta,8alpha,9alpha,10beta)-2,7,9,10-tetraacetoxy-5,11-dihydroxy-13-oxo-12,16-epoxytax-4(20)-en-19-yl benzoate 91 95 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4714 0.7053 -3.4729 O.3 1 UNL11 -0.3853 2 O -2.7053 0.9613 -0.0533 O.3 1 UNL11 -0.6007 3 O -1.2929 3.0825 -0.1595 O.3 1 UNL11 -0.4237 4 O -0.0664 -2.9668 -1.2489 O.3 1 UNL11 -0.4555 5 O 1.3057 1.8199 0.4707 O.3 1 UNL11 -0.4591 6 O -1.9985 -0.3258 2.1844 O.3 1 UNL11 -0.5179 7 O -5.0591 -0.1278 -1.7367 O.2 1 UNL11 -0.4614 8 O 2.5764 -0.3276 0.8332 O.3 1 UNL11 -0.4070 9 O -0.0186 -3.7447 3.7119 O.3 1 UNL11 -0.5537 10 O 0.1169 4.3834 -1.3417 O.2 1 UNL11 -0.5267 11 O -1.7889 -4.3200 -1.7577 O.2 1 UNL11 -0.5133 12 O 1.0175 3.3902 2.0530 O.2 1 UNL11 -0.5254 13 O -2.7961 0.3909 4.1590 O.2 1 UNL11 -0.4826 14 O 4.1368 0.9631 1.8081 O.2 1 UNL11 -0.5226 15 C -1.0994 -0.2757 -1.7547 C.3 1 UNL11 -0.0209 16 C -1.8230 1.0195 -1.1684 C.3 1 UNL11 0.1888 17 C -1.7809 -1.2798 -0.8218 C.3 1 UNL11 -0.2047 18 C -2.9981 1.0498 -2.2167 C.3 1 UNL11 0.2121 19 C 0.2362 -0.1953 1.3384 C.3 1 UNL11 -0.0043 20 C -0.6941 1.8831 -0.6467 C.3 1 UNL11 0.0747 21 C 0.2668 -1.6279 0.6456 C.3 1 UNL11 -0.1623 22 C -0.8483 -2.3084 -0.2426 C.3 1 UNL11 0.1484 23 C -0.0017 1.2860 0.6861 C.3 1 UNL11 0.0658 24 C -1.5390 -0.3454 -3.2570 C.3 1 UNL11 -0.0752 25 C -3.1753 -1.5476 -1.4060 C.3 1 UNL11 -0.3605 26 C -3.8633 -0.2132 -1.7647 C.2 1 UNL11 0.4651 27 C 0.4198 -0.2484 -1.9035 C.3 1 UNL11 -0.4755 28 C -0.6529 -0.2102 2.6327 C.3 1 UNL11 0.1193 29 C 0.5474 -2.6744 1.7020 C.2 1 UNL11 -0.0532 30 C -3.7752 2.3238 -2.3537 C.3 1 UNL11 -0.4558 31 C 1.6927 -0.1154 1.9328 C.3 1 UNL11 -0.0431 32 C -0.3874 -1.3675 3.5932 C.3 1 UNL11 -0.3839 33 C -0.4300 -2.7028 2.8432 C.3 1 UNL11 0.1562 34 C 1.5631 -3.5316 1.6007 C.2 1 UNL11 -0.2848 35 C -0.7990 4.2804 -0.5673 C.2 1 UNL11 0.6397 36 C -0.6524 -3.9719 -1.9430 C.2 1 UNL11 0.6383 37 C 1.6755 2.9505 1.1461 C.2 1 UNL11 0.6540 38 C -3.0185 0.0250 3.0400 C.2 1 UNL11 0.6529 39 C 3.7814 0.2876 0.8726 C.2 1 UNL11 0.6175 40 C -1.5613 5.3687 0.1031 C.3 1 UNL11 -0.5111 41 C 0.3255 -4.5312 -2.9204 C.3 1 UNL11 -0.5169 42 C 2.9523 3.4676 0.5962 C.3 1 UNL11 -0.5120 43 C -4.3112 -0.1324 2.3320 C.3 1 UNL11 -0.5188 44 C 4.5563 -0.0051 -0.3467 C.ar 1 UNL11 -0.1504 45 C 5.8818 0.4342 -0.3947 C.ar 1 UNL11 -0.0780 46 C 3.9958 -0.6890 -1.4260 C.ar 1 UNL11 -0.0750 47 C 6.6457 0.1918 -1.5330 C.ar 1 UNL11 -0.1780 48 C 4.7630 -0.9243 -2.5644 C.ar 1 UNL11 -0.1815 49 C 6.0850 -0.4836 -2.6168 C.ar 1 UNL11 -0.0984 50 H -2.0550 -0.7933 0.1880 H 1 UNL11 0.1951 51 H 0.0814 2.1258 -1.4094 H 1 UNL11 0.1849 52 H 1.1637 -1.5961 -0.0448 H 1 UNL11 0.1970 53 H -1.4051 -3.0946 0.3182 H 1 UNL11 0.1469 54 H -0.5134 1.8598 1.5093 H 1 UNL11 0.1703 55 H -0.7332 -0.1249 -3.9774 H 1 UNL11 0.1429 56 H -2.0007 -1.2998 -3.5448 H 1 UNL11 0.1318 57 H -3.1500 -2.2112 -2.2909 H 1 UNL11 0.1797 58 H -3.8106 -2.0970 -0.6832 H 1 UNL11 0.1715 59 H 0.7786 -1.2106 -2.2973 H 1 UNL11 0.1627 60 H 0.7406 0.5285 -2.6154 H 1 UNL11 0.1548 61 H 0.9933 -0.0404 -0.9967 H 1 UNL11 0.1781 62 H -0.5527 0.7622 3.1819 H 1 UNL11 0.1552 63 H -3.1914 3.0967 -2.8714 H 1 UNL11 0.1619 64 H -4.0587 2.7113 -1.3627 H 1 UNL11 0.1764 65 H -4.7038 2.1680 -2.9239 H 1 UNL11 0.1721 66 H 1.8959 0.8353 2.4556 H 1 UNL11 0.1597 67 H 1.9157 -0.9440 2.6340 H 1 UNL11 0.1557 68 H -2.3137 0.6036 0.7698 H 1 UNL11 0.3408 69 H -1.1354 -1.3544 4.4128 H 1 UNL11 0.1745 70 H 0.5861 -1.2523 4.1109 H 1 UNL11 0.1743 71 H -1.4613 -2.9384 2.4882 H 1 UNL11 0.1285 72 H 2.2760 -3.5265 0.7914 H 1 UNL11 0.1454 73 H 1.7557 -4.3085 2.3305 H 1 UNL11 0.1678 74 H -0.6317 -3.8217 4.4674 H 1 UNL11 0.3155 75 H -1.0749 5.6429 1.0562 H 1 UNL11 0.1941 76 H -1.5975 6.2708 -0.5255 H 1 UNL11 0.1823 77 H -2.5939 5.0704 0.3465 H 1 UNL11 0.1903 78 H 1.1563 -5.0373 -2.4031 H 1 UNL11 0.1863 79 H -0.1586 -5.2695 -3.5784 H 1 UNL11 0.1840 80 H 0.7677 -3.7463 -3.5516 H 1 UNL11 0.1818 81 H 3.7798 3.2910 1.3098 H 1 UNL11 0.2044 82 H 2.8885 4.5550 0.4250 H 1 UNL11 0.1901 83 H 3.2324 2.9982 -0.3600 H 1 UNL11 0.1870 84 H -4.3619 -1.0531 1.7276 H 1 UNL11 0.1953 85 H -4.4873 0.7041 1.6238 H 1 UNL11 0.2142 86 H -5.1553 -0.1400 3.0392 H 1 UNL11 0.1871 87 H 6.3105 0.9645 0.4601 H 1 UNL11 0.1729 88 H 2.9622 -1.0383 -1.3818 H 1 UNL11 0.1707 89 H 7.6801 0.5300 -1.5772 H 1 UNL11 0.1579 90 H 4.3303 -1.4508 -3.4125 H 1 UNL11 0.1551 91 H 6.6836 -0.6677 -3.5085 H 1 UNL11 0.1494 @BOND 1 1 18 1 2 1 24 1 3 2 16 1 4 2 68 1 5 3 20 1 6 3 35 1 7 4 22 1 8 4 36 1 9 5 23 1 10 5 37 1 11 6 28 1 12 6 38 1 13 7 26 2 14 8 31 1 15 8 39 1 16 9 33 1 17 9 74 1 18 10 35 2 19 11 36 2 20 12 37 2 21 13 38 2 22 14 39 2 23 15 16 1 24 15 24 1 25 15 27 1 26 16 18 1 27 17 15 1 28 17 25 1 29 17 50 1 30 18 26 1 31 18 30 1 32 19 21 1 33 19 31 1 34 20 16 1 35 20 23 1 36 20 51 1 37 21 22 1 38 21 29 1 39 21 52 1 40 22 17 1 41 22 53 1 42 23 19 1 43 23 54 1 44 24 55 1 45 24 56 1 46 25 26 1 47 25 57 1 48 25 58 1 49 27 59 1 50 27 60 1 51 27 61 1 52 28 19 1 53 28 32 1 54 28 62 1 55 29 33 1 56 29 34 2 57 30 63 1 58 30 64 1 59 30 65 1 60 31 66 1 61 31 67 1 62 32 33 1 63 32 69 1 64 32 70 1 65 33 71 1 66 34 72 1 67 34 73 1 68 35 40 1 69 36 41 1 70 37 42 1 71 38 43 1 72 39 44 1 73 40 75 1 74 40 76 1 75 40 77 1 76 41 78 1 77 41 79 1 78 41 80 1 79 42 81 1 80 42 82 1 81 42 83 1 82 43 84 1 83 43 85 1 84 43 86 1 85 44 45 ar 86 44 46 ar 87 45 47 ar 88 45 87 1 89 46 48 ar 90 46 88 1 91 47 49 ar 92 47 89 1 93 48 49 ar 94 48 90 1 95 49 91 1