@MOLECULE (2alpha,5alpha,10beta,14beta)-taxa-4(20),11-diene-2,5,10,14-tetrayl tetraacetate 76 78 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.3107 -1.5290 0.6237 C.3 1 UNL1 -0.2223 2 C -1.3635 1.7429 0.9223 C.3 1 UNL1 0.1131 3 C 0.0493 1.0939 0.7312 C.3 1 UNL1 -0.1901 4 C 0.3218 -0.2289 1.4807 C.3 1 UNL1 0.1288 5 C -2.7471 -0.0424 -0.4489 C.3 1 UNL1 0.1469 6 C 1.2407 -1.3625 -0.5921 C.3 1 UNL1 0.1448 7 C 1.0197 3.2340 -0.1006 C.3 1 UNL1 0.1127 8 C -1.0990 -3.3568 -0.4765 C.3 1 UNL1 -0.4573 9 C -1.9795 -2.1945 1.4655 C.3 1 UNL1 -0.4596 10 C -1.4698 2.4027 2.3105 C.3 1 UNL1 -0.4675 11 C -1.1547 0.2663 -2.9578 C.3 1 UNL1 -0.4619 12 C 3.9146 -3.8395 -1.1006 C.3 1 UNL1 -0.5148 13 C -6.0887 -1.5562 -0.1301 C.3 1 UNL1 -0.5147 14 C 3.5505 -0.6867 3.1819 C.3 1 UNL1 -0.5116 15 C 2.6651 1.5756 -2.9320 C.3 1 UNL1 -0.5242 16 O 1.3417 -1.5962 3.5855 O.2 1 UNL1 -0.5289 17 O -5.3295 0.6502 -0.7678 O.2 1 UNL1 -0.5307 18 O 3.4745 2.9635 -1.1266 O.2 1 UNL1 -0.5139 19 O 3.4880 -1.6435 -2.0197 O.2 1 UNL1 -0.5445 20 C -1.5074 2.8078 -0.1977 C.3 1 UNL1 -0.2886 21 C -0.3816 3.8482 -0.2295 C.3 1 UNL1 -0.2938 22 C 2.0900 -0.8886 2.9605 C.2 1 UNL1 0.6335 23 C 3.1731 -2.5632 -1.3053 C.2 1 UNL1 0.6458 24 C -5.0972 -0.4785 -0.4131 C.2 1 UNL1 0.6282 25 C 2.5725 2.4333 -1.7211 C.2 1 UNL1 0.6358 26 O 1.6887 -0.1279 1.9156 O.3 1 UNL1 -0.4387 27 O -3.8464 -0.9482 -0.2165 O.3 1 UNL1 -0.4323 28 O 2.0452 -2.5593 -0.5620 O.3 1 UNL1 -0.4505 29 O 1.2703 2.5702 -1.3478 O.3 1 UNL1 -0.4531 30 C 1.0261 2.2063 1.0079 C.2 1 UNL1 0.0115 31 C -2.5751 0.7929 0.8285 C.3 1 UNL1 -0.3650 32 C 0.5426 -1.2905 -1.9631 C.3 1 UNL1 -0.3408 33 C 1.7413 2.4316 2.1097 C.2 1 UNL1 -0.3311 34 C -0.8141 -0.6679 -1.8491 C.2 1 UNL1 0.0316 35 C -1.1184 -1.9704 0.2124 C.3 1 UNL1 0.1273 36 C -1.5783 -0.9148 -0.7656 C.2 1 UNL1 -0.1234 37 H 0.7337 -2.3471 1.2702 H 1 UNL1 0.1856 38 H 0.1391 0.8630 -0.3682 H 1 UNL1 0.1867 39 H -0.3329 -0.3320 2.3722 H 1 UNL1 0.1505 40 H -3.0290 0.6194 -1.3050 H 1 UNL1 0.1464 41 H 1.9329 -0.4969 -0.4558 H 1 UNL1 0.1554 42 H 1.7917 4.0252 0.0435 H 1 UNL1 0.1471 43 H -2.5770 0.1215 1.7122 H 1 UNL1 0.1658 44 H -3.5013 1.4018 0.9432 H 1 UNL1 0.1641 45 H 1.1911 -0.7340 -2.6714 H 1 UNL1 0.1667 46 H 0.4637 -2.3079 -2.4050 H 1 UNL1 0.1719 47 H -1.5475 2.2935 -1.1782 H 1 UNL1 0.1471 48 H -2.4801 3.3241 -0.0899 H 1 UNL1 0.1439 49 H 1.7235 1.8080 2.9879 H 1 UNL1 0.1558 50 H 2.4134 3.2697 2.2179 H 1 UNL1 0.1461 51 H -0.5205 4.5812 0.5892 H 1 UNL1 0.1462 52 H -0.4423 4.4264 -1.1727 H 1 UNL1 0.1497 53 H -0.3373 -3.4435 -1.2544 H 1 UNL1 0.1493 54 H -0.8917 -4.1552 0.2438 H 1 UNL1 0.1450 55 H -2.0711 -3.5603 -0.9385 H 1 UNL1 0.1492 56 H -2.9974 -2.4974 1.1904 H 1 UNL1 0.1602 57 H -1.5538 -2.9876 2.0934 H 1 UNL1 0.1506 58 H -2.0646 -1.3106 2.1063 H 1 UNL1 0.1472 59 H -1.2492 1.6868 3.1093 H 1 UNL1 0.1477 60 H -0.7649 3.2340 2.4223 H 1 UNL1 0.1559 61 H -2.4698 2.8101 2.4891 H 1 UNL1 0.1435 62 H -0.6705 1.2475 -2.8099 H 1 UNL1 0.1721 63 H -0.8144 -0.1203 -3.9297 H 1 UNL1 0.1583 64 H -2.2343 0.4428 -3.0609 H 1 UNL1 0.1575 65 H 4.1451 -4.3148 -2.0665 H 1 UNL1 0.1823 66 H 4.8746 -3.6498 -0.5948 H 1 UNL1 0.1850 67 H 3.3528 -4.5638 -0.4903 H 1 UNL1 0.1852 68 H -6.8202 -1.2216 0.6216 H 1 UNL1 0.1832 69 H -6.6513 -1.8085 -1.0428 H 1 UNL1 0.1839 70 H -5.6180 -2.4797 0.2401 H 1 UNL1 0.1828 71 H 3.9491 0.1680 2.6092 H 1 UNL1 0.1928 72 H 3.7634 -0.5143 4.2475 H 1 UNL1 0.1805 73 H 4.1129 -1.5812 2.8728 H 1 UNL1 0.1816 74 H 3.0751 0.5800 -2.6594 H 1 UNL1 0.2134 75 H 1.6957 1.4150 -3.4237 H 1 UNL1 0.1786 76 H 3.3615 2.0068 -3.6671 H 1 UNL1 0.1846 @BOND 1 63 11 1 2 76 15 1 3 75 15 1 4 64 11 1 5 11 62 1 6 11 34 1 7 15 74 1 8 15 25 1 9 45 32 1 10 46 32 1 11 65 12 1 12 19 23 2 13 32 34 1 14 32 6 1 15 34 36 2 16 25 29 1 17 25 18 2 18 29 7 1 19 23 12 1 20 23 28 1 21 40 5 1 22 53 8 1 23 47 20 1 24 52 21 1 25 12 66 1 26 12 67 1 27 69 13 1 28 55 8 1 29 17 24 2 30 36 5 1 31 36 35 1 32 6 28 1 33 6 41 1 34 6 1 1 35 8 35 1 36 8 54 1 37 5 27 1 38 5 31 1 39 24 27 1 40 24 13 1 41 38 3 1 42 21 20 1 43 21 7 1 44 21 51 1 45 20 48 1 46 20 2 1 47 13 70 1 48 13 68 1 49 7 42 1 50 7 30 1 51 35 1 1 52 35 9 1 53 1 37 1 54 1 4 1 55 3 2 1 56 3 30 1 57 3 4 1 58 31 2 1 59 31 44 1 60 31 43 1 61 2 10 1 62 30 33 2 63 56 9 1 64 9 57 1 65 9 58 1 66 4 26 1 67 4 39 1 68 26 22 1 69 33 50 1 70 33 49 1 71 10 60 1 72 10 61 1 73 10 59 1 74 71 14 1 75 73 14 1 76 22 14 1 77 22 16 2 78 14 72 1