HMDB0061514 RDKit 3D PE(DiMe(9,5)/MonoMe(13,5)) 144145 0 0 0 0 0 0 0 0999 V2000 17.4430 -0.7929 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6471 0.4188 -2.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2383 -0.0273 -2.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4081 1.1514 -2.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2594 2.1764 -1.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5673 1.5863 -0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3119 2.2386 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6617 1.3729 1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2332 1.6460 2.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5282 0.1970 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8860 -1.0912 1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4210 -1.0246 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6962 0.0792 1.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2012 0.1108 1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5699 -1.1513 1.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 -1.1808 1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 -1.0528 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4726 -0.9913 -0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -2.0622 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 -2.4684 0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 -3.4976 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7237 -2.9140 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2523 -1.6992 0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5957 -1.3597 1.8294 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -0.8079 0.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 0.3447 0.6036 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6186 0.4600 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -0.4714 1.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5136 -1.8058 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8236 -2.3798 0.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4511 -2.6070 1.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 -1.5784 2.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1712 -0.8167 1.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0737 -1.7982 0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8882 -1.0600 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7250 0.0373 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7844 -0.2568 1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9540 -1.0825 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7910 -0.5310 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8385 0.2412 0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4118 0.6157 -1.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5922 1.4747 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9011 0.8631 -1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3986 -0.0879 -2.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8260 -1.4511 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9610 -2.2326 -0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6899 0.0489 -2.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9008 0.1915 -3.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6481 -0.6903 -1.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6698 -1.4877 -2.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 1.6109 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8382 1.6487 0.1987 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 3.0410 -0.4132 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9742 3.0929 0.1365 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6391 3.1000 -2.0768 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7793 4.4396 0.1917 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9075 4.4946 1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2327 5.6961 2.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 6.9526 1.6931 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0856 0.3854 -0.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4967 -0.4885 -1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4676 -1.4909 -2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9689 -1.3053 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0765 0.8992 -3.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6101 1.1194 -1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2874 -0.7074 -3.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7699 -0.6045 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3873 0.7655 -3.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7806 1.5723 -3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2155 2.6288 -1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5348 2.9501 -2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5715 3.2693 0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0700 2.1295 3.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3361 2.3016 2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9604 0.7198 3.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0655 -1.1708 2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3867 -1.8964 0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3631 -0.8330 -0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9267 -2.0189 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7826 0.0568 2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1056 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3.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 7.5455 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 7.4535 2.3795 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 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 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 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 41 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 26 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 10 60 1 0 60 6 1 0 49 39 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 7 72 1 0 9 73 1 0 9 74 1 0 9 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 26100 1 1 27101 1 0 27102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 46129 1 0 48130 1 0 48131 1 0 48132 1 0 50133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 55138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 M END