HMDB0061485 RDKit 3D PE(DiMe(11,5)/MonoMe(11,3)) 138139 0 0 0 0 0 0 0 0999 V2000 1.8687 6.2885 -3.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 6.3892 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 5.0153 -5.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0357 4.4095 -5.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8828 3.0834 -5.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 2.0257 -5.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 1.0976 -4.4246 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 0.3099 -4.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4231 -0.8450 -3.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 -1.2992 -2.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6647 -0.6122 -1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2238 0.7608 -1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 1.8967 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4324 3.2231 -1.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 3.4436 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 4.7120 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 5.1308 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0058 4.2822 1.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5972 3.1183 2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3136 2.0034 1.8609 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5362 3.3166 3.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1982 2.4349 4.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 1.9359 4.5927 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1886 3.1200 4.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 2.5452 4.9195 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 3.7796 5.0816 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0529 4.8947 5.9166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0432 4.3998 3.5625 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 3.1441 5.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 3.7756 7.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2936 3.3046 7.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2089 1.8928 8.2061 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4071 1.1950 3.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0471 -0.1439 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0633 -0.5917 4.7996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 -0.9186 2.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 -2.3552 2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2653 -3.0083 1.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 -4.4414 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 -5.3132 2.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 -5.1675 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7757 -6.0852 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0805 -6.0212 0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6733 -4.6656 1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9702 -4.4149 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9687 -4.5668 -1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8682 -3.5648 -1.9529 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8927 -4.0091 -3.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7971 -3.1384 -4.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8701 -3.9011 -5.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1472 -4.6703 -5.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0162 -5.3690 -3.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0651 -5.7207 -1.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 -7.1291 -1.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 0.7264 -4.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8669 0.1509 -4.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0849 1.8015 -5.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9711 2.5589 -6.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 5.6453 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 6.0177 -3.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9065 7.3169 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26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 48 52 2 0 52 53 1 0 53 54 1 0 8 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 6 2 0 53 46 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 22 90 1 0 22 91 1 0 23 92 1 1 24 93 1 0 24 94 1 0 28 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 51128 1 0 52129 1 0 54130 1 0 54131 1 0 54132 1 0 56133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 M END