HMDB0061567 RDKit 3D PS(DiMe(11,5)/MonoMe(11,5)) 147148 0 0 0 0 0 0 0 0999 V2000 -19.4635 0.8392 2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0318 1.0052 1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0305 1.5321 0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5983 1.7199 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8317 0.4405 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4320 0.6735 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9198 0.5949 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5667 0.8946 -1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5778 0.9388 -2.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3137 1.1447 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0173 1.5097 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1861 0.2593 0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9009 0.6457 1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0881 -0.5828 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6885 -1.3913 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8132 -0.6353 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5377 -0.1516 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7688 -1.2808 0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5321 -0.7846 1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 -0.1425 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4074 0.3197 1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 0.3814 2.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 0.6990 0.5554 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8892 1.1353 1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 2.3387 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 1.9378 -0.5699 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5573 2.7127 -1.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 3.9438 -1.2426 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0267 2.1823 -2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6164 0.8364 -2.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 0.4675 -2.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 0.5924 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 1.9146 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6105 2.7423 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9837 2.3464 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5934 1.0658 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6966 0.5455 -2.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4038 -0.8337 -1.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7272 -0.6876 -1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0523 -0.9303 -0.0986 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3237 -0.6890 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0889 -0.8403 1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2882 0.5510 1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9579 0.6781 3.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3225 0.1227 3.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4768 -1.3470 3.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9103 -0.2631 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3126 0.1246 -1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8626 -0.2657 -2.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 0.1111 -3.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9712 0.0103 1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 -1.1169 1.7574 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 -2.4750 1.7476 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7795 -2.1357 1.7737 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 -3.4947 3.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -3.3393 0.3165 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 -3.8110 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4425 -4.5951 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 -5.0510 -0.9522 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6202 -3.7223 -2.1733 C 0 0 0 0 0 0 0 0 0 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9 77 1 0 9 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 24 99 1 0 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 48133 1 0 48134 1 0 48135 1 0 50136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 55141 1 0 57142 1 0 57143 1 0 58144 1 0 59145 1 0 59146 1 0 62147 1 0 M END