HMDB0039640 RDKit 3D Ustiloxin A 89 90 0 0 0 0 0 0 0 0999 V2000 -3.1956 3.7223 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9312 2.8218 1.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3364 1.4553 1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 0.6975 2.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 1.7203 0.8667 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0137 1.0100 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4736 -0.2425 0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5791 -0.7356 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 0.0576 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 -0.5221 -1.5888 S 0 0 0 0 0 4 0 0 0 0 0 0 3.6526 -0.4429 -3.1288 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9481 0.8369 -1.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9752 1.1437 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3735 -0.0167 0.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 2.2057 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4077 1.8918 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 1.5738 -0.8975 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8619 0.8735 1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5933 1.1064 2.6507 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 -0.2635 1.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8013 1.3037 -1.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6715 1.7754 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2769 3.0426 -1.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 -2.0713 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 -2.4048 -1.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3279 -3.2753 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8592 -3.2898 1.6973 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 -4.1963 1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -3.4894 -0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7896 -4.1400 -1.7624 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 -3.1868 -0.8178 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 -2.0357 -1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2468 -2.0514 -2.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 -1.9713 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -1.0875 -2.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 -1.7763 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9376 -2.6955 -0.4649 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3034 -0.7442 0.5475 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2337 0.6807 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6311 1.1875 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0876 1.6934 -0.6077 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4983 1.1600 1.5879 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8076 1.7344 1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6727 1.3633 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4918 0.3128 -0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7468 2.1807 0.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2617 4.0966 0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9135 3.2167 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5751 4.6708 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 2.7241 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 3.2933 2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 1.0953 3.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0336 0.9873 3.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1712 -0.3823 2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 -0.7973 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5364 1.7206 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9573 0.5250 -1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 1.4577 0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 -0.7784 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7996 2.6103 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 3.1249 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9469 2.8520 0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2245 0.6151 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3968 2.3051 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 -1.1642 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 1.9038 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 3.5136 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0023 -2.0576 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 -2.3648 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 -4.2097 0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6528 -3.6579 2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2278 -4.6236 2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2525 -3.6873 1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -5.0669 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 -4.0521 -0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1869 -1.1389 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6508 -3.1029 -2.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0839 -0.9550 -4.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 -1.9102 -2.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -2.7734 -4.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 -1.1393 -2.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7526 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0 20 65 1 0 21 66 1 0 23 67 1 0 24 68 1 0 25 69 1 0 26 70 1 0 27 71 1 0 28 72 1 0 28 73 1 0 28 74 1 0 31 75 1 0 32 76 1 0 33 77 1 0 34 78 1 0 34 79 1 0 34 80 1 0 35 81 1 0 35 82 1 0 35 83 1 0 38 84 1 0 39 85 1 0 42 86 1 0 43 87 1 0 43 88 1 0 46 89 1 0 M END