HMDB0015672 RDKit 3D Cabazitaxel 117122 0 0 0 0 0 0 0 0999 V2000 -4.3075 -4.4454 -1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9687 -3.4009 -0.5802 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3775 -2.1603 -0.7588 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2473 -1.2709 -1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6235 0.0644 -1.7996 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5192 1.1368 -1.5934 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8028 1.4507 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6869 0.5556 -0.7997 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6783 1.3354 -1.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 0.7729 -2.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 1.5693 -3.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0728 -0.4414 -2.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0701 -0.3477 0.2144 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5395 0.4346 1.3564 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9416 1.7949 1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 2.4011 2.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0575 1.6823 3.3009 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 3.8171 2.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6659 4.6533 1.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9871 5.9903 1.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7183 6.5543 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 5.7290 3.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7896 4.3874 3.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 0.2649 1.8046 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9300 1.2687 2.7681 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.3955 0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 -0.8473 0.4710 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2030 -0.7398 -0.8829 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 -0.9320 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 -1.2335 -0.2991 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0685 -0.8127 -2.5959 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2375 -1.5633 -2.6205 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6078 0.6489 -2.7584 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4633 0.9221 -1.6799 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 1.1884 -0.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1715 2.1294 0.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4258 0.3725 -0.3703 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2338 0.7213 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3984 -0.2252 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3752 0.5742 1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6722 2.1718 0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4362 0.7241 -4.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 1.7923 -4.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0808 1.9158 -5.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9991 0.9505 -6.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1455 -0.1113 -6.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 -0.2358 -4.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.1194 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2973 -3.2961 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 -2.0901 1.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 -3.2358 1.4206 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9065 -3.8847 2.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 -5.2295 2.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 -2.6941 1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9845 -3.4929 1.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 -1.5495 0.5475 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1161 -1.3013 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 -1.0111 2.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 -0.8796 3.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9945 -1.1900 3.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2678 -4.2958 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9027 -5.3644 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2895 -4.6468 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4566 -2.3510 -1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2724 -1.1305 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3994 -1.8337 -2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3146 0.1549 -2.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4503 1.2122 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 2.5475 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 0.9123 -3.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 2.2610 -3.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 2.1987 -2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2015 -0.7910 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0815 0.0241 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 4.2163 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6684 6.6166 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9742 7.6158 2.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7039 6.1790 4.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1304 3.7970 4.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7788 0.9773 3.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 0.8896 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 1.0876 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 -0.9616 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 -1.0682 -3.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7364 -1.5464 -1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7401 1.2364 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6847 1.9923 -1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2313 -0.9153 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3279 0.3393 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6218 -0.7452 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1046 1.5732 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4628 -0.0187 1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9511 0.0446 2.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 2.5984 -0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2244 2.7750 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7719 2.1854 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3624 2.5400 -3.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 2.7543 -5.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 1.0570 -7.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -0.8836 -6.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7075 -1.0727 -4.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4978 -4.2219 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 -3.4495 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -3.1598 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -3.9920 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -5.6330 3.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 -5.7929 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -5.3600 2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0291 -0.5725 2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0397 -1.0621 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3902 -2.2649 1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0344 -1.7715 3.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2684 -0.7945 4.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 0.0648 3.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 -1.7145 3.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5582 -1.8069 4.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3257 -0.2584 4.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 6 9 10 1 0 10 11 1 0 10 12 2 0 8 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 14 24 1 0 24 25 1 1 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 38 41 1 0 33 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 27 48 1 0 48 49 1 0 48 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 51 54 1 0 54 55 2 0 54 56 1 0 56 57 1 1 50 58 1 0 58 59 1 0 58 60 1 0 56 3 1 0 8 5 1 0 56 13 1 0 23 18 1 0 58 24 1 0 47 42 1 0 1 61 1 0 1 62 1 0 1 63 1 0 3 64 1 6 4 65 1 0 4 66 1 0 5 67 1 6 7 68 1 0 7 69 1 0 11 70 1 0 11 71 1 0 11 72 1 0 13 73 1 6 14 74 1 1 19 75 1 0 20 76 1 0 21 77 1 0 22 78 1 0 23 79 1 0 25 80 1 0 26 81 1 0 26 82 1 0 27 83 1 1 31 84 1 6 32 85 1 0 33 86 1 6 34 87 1 0 39 88 1 0 39 89 1 0 39 90 1 0 40 91 1 0 40 92 1 0 40 93 1 0 41 94 1 0 41 95 1 0 41 96 1 0 43 97 1 0 44 98 1 0 45 99 1 0 46100 1 0 47101 1 0 49102 1 0 49103 1 0 49104 1 0 51105 1 6 53106 1 0 53107 1 0 53108 1 0 57109 1 0 57110 1 0 57111 1 0 59112 1 0 59113 1 0 59114 1 0 60115 1 0 60116 1 0 60117 1 0 M END