@MOLECULE (2alpha,5alpha,10beta,14beta)-2,5,10-triacetoxytaxa-4(20),11-dien-14-yl 3-hydroxy-2-methylbutanoate 40 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.2003 -1.0084 0.9450 C.3 1 UNL1 -0.2433 2 C -1.1125 -1.8874 0.8637 C.3 1 UNL1 -0.3401 3 C 0.0353 0.4365 0.8103 C.2 1 UNL1 -0.2635 4 C 2.8458 -2.9547 -0.9292 C.2 1 UNL1 0.0154 5 C 2.4896 -1.6392 -0.2547 C.2 1 UNL1 -0.0029 6 C 1.0352 1.3180 1.4650 C.3 1 UNL1 0.4170 7 C -2.3899 -1.2544 0.5276 C.3 1 UNL1 -0.2350 8 C 3.6897 -0.8531 -0.2013 C.3 1 UNL1 -0.3759 9 C -1.9955 3.1612 -0.1011 C.3 1 UNL1 0.4239 10 C -1.1468 0.8680 0.3235 C.2 1 UNL1 0.2355 11 C -0.7818 -3.1615 0.0836 C.2 1 UNL1 0.5470 12 O -1.3735 2.2028 0.6407 O.2 1 UNL1 -0.4320 13 C -3.0156 3.0575 -0.9321 C.3 1 UNL1 -0.5247 14 C 4.7890 -1.6561 -0.7938 C.2 1 UNL1 0.6082 15 C 0.6258 -3.0866 -0.2252 C.2 1 UNL1 -0.3433 16 C -2.2996 0.0428 -0.0989 C.3 1 UNL1 0.0919 17 O 1.2513 2.5020 1.0586 O.3 1 UNL1 -0.4214 18 O -1.5771 -4.0250 -0.1522 O.2 1 UNL1 -0.4035 19 O 5.9406 -1.3402 -0.9053 O.2 1 UNL1 -0.4665 20 C 0.7986 3.2024 -0.0745 C.2 1 UNL1 0.3439 21 C -5.7648 -3.1413 0.8843 C.1 1 UNL1 0.6244 22 C 4.1206 2.6858 1.3241 C.1 1 UNL1 0.6511 23 C 4.2322 -2.9940 -1.2217 C.2 1 UNL1 -0.6385 24 O -1.3088 4.3453 0.1924 O.3 1 UNL1 -0.2151 25 C 3.8511 0.3564 0.3087 C.3 1 UNL1 0.4921 26 C 4.9693 -3.9492 -1.7769 C.2 1 UNL1 0.5638 27 O 1.1879 2.8803 -1.1561 O.2 1 UNL1 -0.3660 28 O 4.2483 3.7380 1.7815 O.3 1 UNL1 -0.2149 29 O -6.7664 -3.7100 0.9801 O.3 1 UNL1 -0.2229 30 C -3.4519 1.7560 -1.4846 C.3 1 UNL1 0.2442 31 C 1.2404 -1.7739 0.2813 C.3 1 UNL1 0.0515 32 C -0.4348 -1.6665 2.1871 C.3 1 UNL1 0.5203 33 C 1.6322 -3.5608 -0.9665 C.2 1 UNL1 0.1883 34 C -3.5419 -1.9041 0.6564 C.3 1 UNL1 0.4781 35 O -3.9599 2.3657 -2.6490 O.3 1 UNL1 -0.3328 36 C -3.6950 3.6436 -2.2003 C.3 1 UNL1 0.5332 37 C -4.6470 -2.4993 0.7923 C.1 1 UNL1 -0.5612 38 C 3.9983 1.5038 0.8083 C.1 1 UNL1 -0.5648 39 C -0.0444 4.4155 0.2707 C.3 1 UNL1 0.3463 40 C -3.0919 0.6091 -0.9922 C.3 1 UNL1 -0.2080 @BOND 1 35 36 1 2 35 30 1 3 36 13 1 4 26 23 2 5 30 40 1 6 30 13 1 7 23 4 1 8 23 14 1 9 27 20 2 10 40 16 1 11 33 4 1 12 33 15 2 13 13 9 1 14 4 5 2 15 19 14 2 16 14 8 1 17 5 8 1 18 5 31 1 19 15 11 1 20 15 31 1 21 8 25 1 22 18 11 2 23 9 24 1 24 9 12 1 25 16 10 1 26 16 7 1 27 20 39 1 28 20 17 1 29 11 2 1 30 24 39 1 31 31 1 1 32 25 38 1 33 10 12 1 34 10 3 2 35 7 34 1 36 7 2 1 37 34 37 1 38 37 21 3 39 38 22 3 40 3 1 1 41 3 6 1 42 2 1 1 43 2 32 1 44 21 29 1 45 1 32 1 46 17 6 1 47 22 28 1