@MOLECULE (2alpha,5alpha,9alpha,10beta)-2,9,10-triacetoxy-13-oxotaxa-4(20),11-dien-5-yl (2e)-3-phenylacrylate 86 89 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2623 -2.9688 -1.3246 O.3 1 UNL1111111111 -0.4301 2 O -3.6963 0.7582 1.4703 O.3 1 UNL1111111111 -0.4455 3 O -2.9997 2.3082 -0.6542 O.3 1 UNL1111111111 -0.4214 4 O 1.3507 -1.0551 2.2177 O.3 1 UNL1111111111 -0.4433 5 O 2.5804 1.2916 -1.3585 O.2 1 UNL1111111111 -0.4563 6 O -1.6249 -3.5137 -3.0318 O.2 1 UNL1111111111 -0.5230 7 O -5.4949 0.3307 0.1761 O.2 1 UNL1111111111 -0.5059 8 O -2.3834 4.1955 0.4117 O.2 1 UNL1111111111 -0.5172 9 O 2.8778 -2.6400 1.7437 O.2 1 UNL1111111111 -0.5102 10 C -2.0076 -0.8760 1.1846 C.3 1 UNL1111111111 0.0622 11 C -0.7687 -1.4292 0.4029 C.3 1 UNL1111111111 -0.1849 12 C -0.3460 -0.7569 -2.1160 C.3 1 UNL1111111111 -0.1599 13 C -0.9802 -1.7458 -1.0924 C.3 1 UNL1111111111 0.1138 14 C -1.1095 0.5937 -2.1994 C.3 1 UNL1111111111 0.0973 15 C -2.7866 0.2648 0.4750 C.3 1 UNL1111111111 0.0604 16 C -1.4780 -0.3241 2.5329 C.3 1 UNL1111111111 -0.2763 17 C -2.0192 1.5445 0.0598 C.3 1 UNL1111111111 0.0804 18 C -0.8815 1.2558 -0.8597 C.2 1 UNL1111111111 -0.0568 19 C -0.2597 -2.5693 1.2465 C.2 1 UNL1111111111 0.0102 20 C -0.6812 -1.3418 3.3574 C.3 1 UNL1111111111 -0.2927 21 C 1.1517 -0.5392 -1.8456 C.3 1 UNL1111111111 -0.3918 22 C -3.0390 -1.9914 1.4148 C.3 1 UNL1111111111 -0.4635 23 C 0.3824 -2.0673 2.5198 C.3 1 UNL1111111111 0.1157 24 C 0.3900 1.4609 -0.4647 C.2 1 UNL1111111111 -0.1005 25 C -2.5620 0.3545 -2.6262 C.3 1 UNL1111111111 -0.4620 26 C -0.5169 1.4913 -3.3120 C.3 1 UNL1111111111 -0.4530 27 C 1.4817 0.8082 -1.2411 C.2 1 UNL1111111111 0.4773 28 C -0.4373 -3.8788 1.0751 C.2 1 UNL1111111111 -0.3269 29 C 0.8323 2.2087 0.7355 C.3 1 UNL1111111111 -0.4510 30 C -0.6705 -3.7657 -2.3412 C.2 1 UNL1111111111 0.6284 31 C -5.0218 0.7910 1.1813 C.2 1 UNL1111111111 0.6371 32 C -3.0788 3.6375 -0.3970 C.2 1 UNL1111111111 0.6312 33 C 2.5728 -1.4743 1.7898 C.2 1 UNL1111111111 0.6099 34 C 0.2328 -4.9475 -2.4334 C.3 1 UNL1111111111 -0.5179 35 C -5.7444 1.4502 2.3072 C.3 1 UNL1111111111 -0.5177 36 C -4.1359 4.2362 -1.2599 C.3 1 UNL1111111111 -0.5168 37 C 3.3892 -0.3123 1.4269 C.2 1 UNL1111111111 -0.3046 38 C 4.5917 -0.4834 0.8591 C.2 1 UNL1111111111 -0.0186 39 C 5.4487 0.6294 0.4569 C.ar 1 UNL1111111111 -0.0339 40 C 5.5148 1.8016 1.2164 C.ar 1 UNL1111111111 -0.1275 41 C 6.2115 0.5152 -0.7110 C.ar 1 UNL1111111111 -0.1258 42 C 6.3346 2.8510 0.8091 C.ar 1 UNL1111111111 -0.1545 43 C 7.0243 1.5695 -1.1175 C.ar 1 UNL1111111111 -0.1527 44 C 7.0872 2.7377 -0.3585 C.ar 1 UNL1111111111 -0.1343 45 H 0.0258 -0.6320 0.4521 H 1 UNL1111111111 0.1881 46 H -0.4479 -1.2500 -3.1193 H 1 UNL1111111111 0.1654 47 H -2.0571 -1.9116 -1.3180 H 1 UNL1111111111 0.1510 48 H -3.3637 -0.1420 -0.3929 H 1 UNL1111111111 0.1764 49 H -2.3270 0.0486 3.1393 H 1 UNL1111111111 0.1532 50 H -0.8380 0.5596 2.3364 H 1 UNL1111111111 0.1499 51 H -1.7069 2.1095 0.9753 H 1 UNL1111111111 0.1743 52 H -1.3604 -2.0937 3.8025 H 1 UNL1111111111 0.1466 53 H -0.1925 -0.8257 4.2072 H 1 UNL1111111111 0.1511 54 H 1.5489 -1.3371 -1.1784 H 1 UNL1111111111 0.1896 55 H 1.7314 -0.6618 -2.7840 H 1 UNL1111111111 0.1734 56 H -3.3604 -2.4466 0.4708 H 1 UNL1111111111 0.1528 57 H -3.9341 -1.6162 1.9230 H 1 UNL1111111111 0.1504 58 H -2.6364 -2.7978 2.0384 H 1 UNL1111111111 0.1579 59 H 0.8883 -2.8726 3.0971 H 1 UNL1111111111 0.1429 60 H -2.6084 -0.0769 -3.6349 H 1 UNL1111111111 0.1555 61 H -3.1332 1.2918 -2.6466 H 1 UNL1111111111 0.1652 62 H -3.1125 -0.3381 -1.9794 H 1 UNL1111111111 0.1512 63 H -1.0403 2.4541 -3.3427 H 1 UNL1111111111 0.1506 64 H -0.6220 1.0224 -4.2960 H 1 UNL1111111111 0.1476 65 H 0.5447 1.7174 -3.1792 H 1 UNL1111111111 0.1527 66 H -0.9840 -4.3222 0.2599 H 1 UNL1111111111 0.1562 67 H -0.0375 -4.6223 1.7484 H 1 UNL1111111111 0.1447 68 H 1.8315 2.6547 0.5798 H 1 UNL1111111111 0.1787 69 H 0.1596 3.0467 0.9824 H 1 UNL1111111111 0.1714 70 H 0.8993 1.5610 1.6245 H 1 UNL1111111111 0.1659 71 H -0.3469 -5.8831 -2.4299 H 1 UNL1111111111 0.1827 72 H 0.9569 -4.9922 -1.6021 H 1 UNL1111111111 0.1920 73 H 0.8076 -4.9229 -3.3723 H 1 UNL1111111111 0.1839 74 H -6.0849 0.7031 3.0408 H 1 UNL1111111111 0.1838 75 H -5.1120 2.1738 2.8458 H 1 UNL1111111111 0.1873 76 H -6.6356 1.9812 1.9389 H 1 UNL1111111111 0.1835 77 H -4.7736 4.9189 -0.6776 H 1 UNL1111111111 0.1843 78 H -4.7852 3.4762 -1.7245 H 1 UNL1111111111 0.1893 79 H -3.6804 4.8253 -2.0723 H 1 UNL1111111111 0.1874 80 H 2.9540 0.6687 1.6209 H 1 UNL1111111111 0.1900 81 H 4.9843 -1.4891 0.6560 H 1 UNL1111111111 0.1696 82 H 4.9278 1.8937 2.1289 H 1 UNL1111111111 0.1541 83 H 6.1567 -0.3919 -1.3110 H 1 UNL1111111111 0.1539 84 H 6.3837 3.7625 1.4013 H 1 UNL1111111111 0.1495 85 H 7.6086 1.4839 -2.0315 H 1 UNL1111111111 0.1501 86 H 7.7208 3.5617 -0.6802 H 1 UNL1111111111 0.1488 @BOND 1 1 13 1 2 1 30 1 3 2 15 1 4 2 31 1 5 3 17 1 6 3 32 1 7 4 23 1 8 4 33 1 9 5 27 2 10 6 30 2 11 7 31 2 12 8 32 2 13 9 33 2 14 10 11 1 15 10 15 1 16 10 16 1 17 10 22 1 18 11 13 1 19 11 19 1 20 11 45 1 21 12 13 1 22 12 14 1 23 12 21 1 24 12 46 1 25 13 47 1 26 14 18 1 27 14 25 1 28 14 26 1 29 15 17 1 30 15 48 1 31 16 20 1 32 16 49 1 33 16 50 1 34 17 18 1 35 17 51 1 36 18 24 2 37 19 23 1 38 19 28 2 39 20 23 1 40 20 52 1 41 20 53 1 42 21 27 1 43 21 54 1 44 21 55 1 45 22 56 1 46 22 57 1 47 22 58 1 48 23 59 1 49 24 27 1 50 24 29 1 51 25 60 1 52 25 61 1 53 25 62 1 54 26 63 1 55 26 64 1 56 26 65 1 57 28 66 1 58 28 67 1 59 29 68 1 60 29 69 1 61 29 70 1 62 30 34 1 63 31 35 1 64 32 36 1 65 33 37 1 66 34 71 1 67 34 72 1 68 34 73 1 69 35 74 1 70 35 75 1 71 35 76 1 72 36 77 1 73 36 78 1 74 36 79 1 75 37 38 2 76 37 80 1 77 38 39 1 78 38 81 1 79 39 40 ar 80 39 41 ar 81 40 42 ar 82 40 82 1 83 41 43 ar 84 41 83 1 85 42 44 ar 86 42 84 1 87 43 44 ar 88 43 85 1 89 44 86 1