KEGG:C11231 Docetaxel anhydrous ISISHOST03240423272D 1 1.00000 0.00000 10836 59 64 0 1 0 999 V2000 7.1694 -1.6259 0.0000 C 0 0 1 0 0 0 0 0 0 7.8301 -2.0044 0.0000 C 0 0 1 0 0 0 0 0 0 6.6908 -2.1458 0.0000 C 0 0 1 0 0 0 0 0 0 7.1694 -0.8583 0.0000 C 0 0 2 0 0 0 0 0 0 8.4948 -1.6259 0.0000 C 0 0 2 0 0 0 0 0 0 8.5224 -2.4451 0.0000 C 0 0 0 0 0 0 0 0 0 7.8232 -2.8341 0.0000 O 0 0 0 0 0 0 0 0 0 5.2109 -2.1355 0.0000 C 0 0 1 0 0 0 0 0 0 6.7012 -3.4126 0.0000 O 0 0 0 0 0 0 0 0 0 6.1647 -0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 7.8301 -0.4797 0.0000 C 0 0 2 0 0 0 0 0 0 7.2211 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 9.1383 -2.0630 0.0000 O 0 0 0 0 0 0 0 0 0 8.4948 -0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 8.5397 -3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 5.2109 -1.3680 0.0000 C 0 0 3 0 0 0 0 0 0 4.5461 -2.5210 0.0000 C 0 0 0 0 0 0 0 0 0 5.2005 -2.8823 0.0000 O 0 0 0 0 0 0 0 0 0 6.0336 -3.7844 0.0000 C 0 0 0 0 0 0 0 0 0 4.5496 -0.2211 0.0000 C 0 0 1 0 0 0 0 0 0 6.1743 0.6181 0.0000 O 0 0 0 0 0 0 0 0 0 7.8335 0.2878 0.0000 O 0 0 0 0 0 0 0 0 0 9.2589 -2.8478 0.0000 C 0 0 0 0 0 0 0 0 0 8.5328 -4.0802 0.0000 O 0 0 0 0 0 0 0 0 0 4.5461 -0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 5.8509 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 5.8888 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 3.8855 -2.1355 0.0000 C 0 0 1 0 0 0 0 0 0 6.0233 -4.5518 0.0000 C 0 0 0 0 0 0 0 0 0 5.3758 -3.3919 0.0000 O 0 0 0 0 0 0 0 0 0 3.8889 0.1643 0.0000 O 0 0 0 0 0 0 0 0 0 3.8855 -1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 3.0076 -2.5727 0.0000 O 0 0 0 0 0 0 0 0 0 5.3585 -4.9236 0.0000 C 0 0 0 0 0 0 0 0 0 6.6874 -4.9408 0.0000 C 0 0 0 0 0 0 0 0 0 3.2249 -0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 2.3228 -2.1768 0.0000 C 0 0 0 0 0 0 0 0 0 5.3488 -5.6842 0.0000 C 0 0 0 0 0 0 0 0 0 6.6736 -5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 1.6311 -2.5762 0.0000 C 0 0 1 0 0 0 0 0 0 2.3228 -1.3818 0.0000 O 0 0 0 0 0 0 0 0 0 6.0095 -6.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0.9388 -2.1768 0.0000 C 0 0 2 0 0 0 0 0 0 1.6311 -3.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0.2505 -2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0.9388 -1.3818 0.0000 N 0 0 0 0 0 0 0 0 0 -0.4411 -2.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0.2505 -3.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0.2471 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1335 -2.5762 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4411 -3.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0.2471 -0.1908 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4411 -1.3818 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1335 -3.3712 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4590 0.2176 0.0000 C 0 0 3 0 0 0 0 0 0 -0.4590 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1693 -0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1750 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2042 -2.4417 0.0000 H 0 0 0 0 0 0 0 0 0 2 6 1 1 0 0 2 7 1 6 0 0 3 8 1 0 0 0 3 9 1 6 0 0 4 10 1 0 0 0 4 11 1 0 0 0 4 12 1 1 0 0 5 13 1 1 0 0 5 14 1 0 0 0 7 15 1 0 0 0 8 16 1 0 0 0 8 17 1 0 0 0 8 18 1 1 0 0 9 19 1 0 0 0 10 20 1 0 0 0 10 21 2 0 0 0 11 22 1 1 0 0 15 23 1 0 0 0 15 24 2 0 0 0 16 25 1 0 0 0 16 26 1 0 0 0 16 27 1 0 0 0 17 28 1 0 0 0 19 29 1 0 0 0 19 30 2 0 0 0 20 31 1 1 0 0 25 32 2 0 0 0 28 33 1 6 0 0 29 34 2 0 0 0 29 35 1 0 0 0 32 36 1 0 0 0 33 37 1 0 0 0 34 38 1 0 0 0 35 39 2 0 0 0 37 40 1 0 0 0 37 41 2 0 0 0 38 42 2 0 0 0 40 43 1 0 0 0 40 44 1 6 0 0 43 45 1 0 0 0 43 46 1 6 0 0 45 47 2 0 0 0 45 48 1 0 0 0 46 49 1 0 0 0 47 50 1 0 0 0 48 51 2 0 0 0 49 52 1 0 0 0 49 53 2 0 0 0 50 54 2 0 0 0 6 13 1 0 0 0 11 14 1 0 0 0 20 25 1 0 0 0 28 32 1 0 0 0 39 42 1 0 0 0 51 54 1 0 0 0 52 55 1 0 0 0 1 2 1 0 0 0 55 56 1 0 0 0 1 3 1 0 0 0 55 57 1 0 0 0 1 4 1 0 0 0 55 58 1 0 0 0 2 5 1 0 0 0 1 59 1 6 0 0 M END