@MOLECULE (2alpha,5beta,7beta,9alpha,10beta,13alpha)-4,7,9,10,13-pentaacetoxy-5,20-epoxytax-11-en-2-yl benzoate 96 100 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5893 1.4310 -3.4677 O.3 1 UNL11 -0.4151 2 O 2.3710 -0.7359 -1.4201 O.3 1 UNL11 -0.4566 3 O 2.3886 1.0256 0.4752 O.3 1 UNL11 -0.4365 4 O -2.7570 0.5235 -2.5168 O.3 1 UNL11 -0.4208 5 O -3.1822 1.6424 -0.3588 O.3 1 UNL11 -0.3973 6 O -3.3068 0.2588 1.9814 O.3 1 UNL11 -0.4196 7 O 1.0044 -3.4170 0.5747 O.3 1 UNL11 -0.4635 8 O 1.0854 -2.4317 -2.1633 O.2 1 UNL11 -0.5233 9 O 2.6145 2.6150 2.0518 O.2 1 UNL11 -0.5044 10 O -3.5467 -1.5212 -2.0018 O.2 1 UNL11 -0.5423 11 O -2.9205 3.5855 0.7600 O.2 1 UNL11 -0.5266 12 O -5.1739 0.1215 0.7102 O.2 1 UNL11 -0.5328 13 O 0.2857 -5.2710 1.6253 O.2 1 UNL11 -0.5155 14 C 0.3874 0.3099 -0.5331 C.3 1 UNL11 -0.2260 15 C -0.9411 1.0080 -0.9742 C.3 1 UNL11 0.0168 16 C 1.3921 0.2567 -1.6809 C.3 1 UNL11 0.2293 17 C 0.8761 0.1951 -3.1624 C.3 1 UNL11 0.0708 18 C 0.9932 0.8632 0.7772 C.3 1 UNL11 0.1359 19 C -1.4373 0.1235 -2.1513 C.3 1 UNL11 0.1139 20 C 0.9417 -0.0623 2.0295 C.3 1 UNL11 -0.1661 21 C -1.9713 1.1111 0.1858 C.3 1 UNL11 0.0356 22 C -0.6058 0.3306 -3.4244 C.3 1 UNL11 -0.3452 23 C -0.4869 -0.1555 2.6422 C.3 1 UNL11 0.1176 24 C 2.1856 1.5095 -2.1453 C.3 1 UNL11 -0.0653 25 C -2.4475 -0.1685 0.9154 C.3 1 UNL11 0.0991 26 C -0.7459 2.4612 -1.4222 C.3 1 UNL11 -0.4683 27 C -1.3082 -0.8626 1.5871 C.2 1 UNL11 -0.1276 28 C 1.5174 -1.4590 1.7454 C.3 1 UNL11 -0.3146 29 C 0.4593 -2.5738 1.6011 C.3 1 UNL11 0.1246 30 C -0.8886 -2.0665 1.1481 C.2 1 UNL11 0.0031 31 C -0.9506 1.2346 3.1051 C.3 1 UNL11 -0.4649 32 C -0.4894 -0.9817 3.9519 C.3 1 UNL11 -0.4573 33 C -1.6028 -2.9334 0.1815 C.3 1 UNL11 -0.4749 34 C 2.1223 -2.0404 -1.6948 C.2 1 UNL11 0.6569 35 C 3.1073 1.9087 1.2076 C.2 1 UNL11 0.6056 36 C -3.7554 -0.3815 -2.3364 C.2 1 UNL11 0.6587 37 C -3.5638 2.8879 0.0173 C.2 1 UNL11 0.6279 38 C -4.6362 0.3582 1.7612 C.2 1 UNL11 0.6386 39 C 3.3368 -2.8370 -1.3553 C.3 1 UNL11 -0.5155 40 C 4.5258 1.8616 0.8069 C.ar 1 UNL11 -0.1496 41 C -5.0736 0.2412 -2.6282 C.3 1 UNL11 -0.5132 42 C 0.7607 -4.7518 0.6489 C.2 1 UNL11 0.6403 43 C -4.8703 3.2131 -0.6220 C.3 1 UNL11 -0.5203 44 C -5.2949 0.8040 3.0257 C.3 1 UNL11 -0.5182 45 C 1.1863 -5.4128 -0.6156 C.3 1 UNL11 -0.5268 46 C 5.3718 2.8773 1.2562 C.ar 1 UNL11 -0.0783 47 C 5.0175 0.8247 0.0121 C.ar 1 UNL11 -0.0821 48 C 6.7193 2.8537 0.9052 C.ar 1 UNL11 -0.1788 49 C 6.3658 0.8062 -0.3350 C.ar 1 UNL11 -0.1809 50 C 7.2143 1.8191 0.1117 C.ar 1 UNL11 -0.1010 51 H 0.1325 -0.7745 -0.3530 H 1 UNL11 0.1995 52 H 1.3411 -0.6101 -3.7578 H 1 UNL11 0.1465 53 H 0.5750 1.8673 1.0207 H 1 UNL11 0.1542 54 H -1.4310 -0.9558 -1.8533 H 1 UNL11 0.1652 55 H 1.5961 0.4290 2.7970 H 1 UNL11 0.1628 56 H -1.5688 1.8383 0.9434 H 1 UNL11 0.1788 57 H -0.8247 1.3282 -3.8666 H 1 UNL11 0.1834 58 H -0.9367 -0.3965 -4.1936 H 1 UNL11 0.1606 59 H 1.9339 2.4599 -1.6708 H 1 UNL11 0.1518 60 H 3.2694 1.3748 -2.2160 H 1 UNL11 0.1442 61 H -3.0321 -0.8248 0.2220 H 1 UNL11 0.1806 62 H -0.0442 2.5691 -2.2566 H 1 UNL11 0.1735 63 H -0.3902 3.1028 -0.6077 H 1 UNL11 0.1555 64 H -1.6935 2.8839 -1.7852 H 1 UNL11 0.1612 65 H 2.1423 -1.4221 0.8269 H 1 UNL11 0.1769 66 H 2.2214 -1.7398 2.5509 H 1 UNL11 0.1434 67 H 0.3620 -3.1709 2.5413 H 1 UNL11 0.1570 68 H -1.9740 1.2007 3.5004 H 1 UNL11 0.1640 69 H -0.9387 2.0054 2.3241 H 1 UNL11 0.1542 70 H -0.3036 1.6156 3.9054 H 1 UNL11 0.1515 71 H -0.1711 -2.0176 3.8336 H 1 UNL11 0.1436 72 H -1.5048 -1.0168 4.3672 H 1 UNL11 0.1548 73 H 0.1663 -0.5311 4.7038 H 1 UNL11 0.1439 74 H -1.0499 -3.0235 -0.7723 H 1 UNL11 0.1851 75 H -2.6129 -2.5804 -0.0863 H 1 UNL11 0.1825 76 H -1.7355 -3.9519 0.5800 H 1 UNL11 0.1706 77 H 4.2453 -2.2195 -1.2918 H 1 UNL11 0.1813 78 H 3.5116 -3.6228 -2.1041 H 1 UNL11 0.1784 79 H 3.2059 -3.3272 -0.3741 H 1 UNL11 0.1960 80 H -4.9896 1.2213 -3.1147 H 1 UNL11 0.1745 81 H -5.6877 -0.4157 -3.2611 H 1 UNL11 0.1797 82 H -5.6222 0.3785 -1.6738 H 1 UNL11 0.2058 83 H -5.6002 2.3970 -0.4777 H 1 UNL11 0.1945 84 H -5.2964 4.1348 -0.1996 H 1 UNL11 0.1813 85 H -4.7565 3.3572 -1.7072 H 1 UNL11 0.1844 86 H -5.2406 0.0183 3.7957 H 1 UNL11 0.1863 87 H -6.3555 1.0385 2.8549 H 1 UNL11 0.1808 88 H -4.8073 1.6981 3.4453 H 1 UNL11 0.1869 89 H 1.0712 -4.7420 -1.4897 H 1 UNL11 0.2085 90 H 2.2369 -5.7288 -0.5692 H 1 UNL11 0.1753 91 H 0.5801 -6.3131 -0.8048 H 1 UNL11 0.1868 92 H 4.9731 3.6809 1.8807 H 1 UNL11 0.1719 93 H 4.3448 0.0346 -0.3369 H 1 UNL11 0.1805 94 H 7.3851 3.6422 1.2503 H 1 UNL11 0.1557 95 H 6.7571 0.0034 -0.9561 H 1 UNL11 0.1529 96 H 8.2688 1.8024 -0.1608 H 1 UNL11 0.1479 @BOND 1 1 17 1 2 1 24 1 3 2 16 1 4 2 34 1 5 3 18 1 6 3 35 1 7 4 19 1 8 4 36 1 9 5 21 1 10 5 37 1 11 6 25 1 12 6 38 1 13 7 29 1 14 7 42 1 15 8 34 2 16 9 35 2 17 10 36 2 18 11 37 2 19 12 38 2 20 13 42 2 21 14 15 1 22 14 51 1 23 15 19 1 24 15 26 1 25 16 14 1 26 16 24 1 27 17 16 1 28 17 22 1 29 17 52 1 30 18 14 1 31 18 53 1 32 19 22 1 33 19 54 1 34 20 18 1 35 20 23 1 36 20 28 1 37 20 55 1 38 21 15 1 39 21 56 1 40 22 57 1 41 22 58 1 42 23 27 1 43 23 31 1 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