HMDB0061494 RDKit 3D PE(DiMe(13,5)/MonoMe(11,3)) 144145 0 0 0 0 0 0 0 0999 V2000 17.9261 1.8734 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4505 1.8355 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7109 2.9567 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2124 2.8157 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6232 1.5772 0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4278 1.1115 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0276 -0.1306 0.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9396 -0.2769 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4197 -1.6263 -0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1578 -1.9607 -1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0369 -1.0810 -0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 -0.9233 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8165 0.3953 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8415 0.4430 1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8629 -0.7076 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1603 -0.3767 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -1.6451 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 -1.7030 -1.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 -1.1017 -1.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 0.3352 -1.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2259 0.6347 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 0.9678 -1.4137 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 0.4304 0.4974 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4188 0.5332 1.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5932 -0.2251 1.8487 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3114 -1.7239 2.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -2.4192 1.2248 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -4.1175 1.2808 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0401 -4.7634 0.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4812 -4.7350 2.7307 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4013 -4.2187 0.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 -5.2760 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 -4.6108 -2.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5301 -3.6654 -2.2871 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6571 -0.4130 0.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 -0.2275 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 0.2822 2.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9709 -0.6961 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4046 -2.0112 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2412 -3.0519 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6628 -2.8662 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4240 -1.9017 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9120 -1.9145 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3746 -0.5936 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2161 0.4883 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1929 1.8868 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1403 2.5482 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5506 2.7643 1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0379 3.9404 0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3215 3.8823 0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2288 4.9809 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6341 4.5892 -1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4341 4.3820 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7510 2.6455 0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6107 1.9234 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6913 0.5152 1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6999 0.9413 -1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6784 1.3147 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6488 1.8531 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6064 3.3007 -0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4255 1.9386 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2755 2.7275 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2652 0.9318 0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0399 0.8619 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2086 1.9170 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0989 3.8993 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8640 2.9145 1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2178 2.8766 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7685 3.7121 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2372 1.7575 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3448 0.7788 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2183 -2.2031 -1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4843 -2.1707 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8685 -2.9841 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2075 -2.2634 -2.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0336 -1.7541 -1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 -0.2773 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0217 -1.7047 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4516 -0.7410 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5435 1.2376 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3567 0.5948 -0.4562 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91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 0 24 97 1 0 25 98 1 1 26 99 1 0 26100 1 0 30101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 53134 1 0 54135 1 0 56136 1 0 56137 1 0 56138 1 0 58139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 M END