HMDB0061627 RDKit 3D PS(MonoMe(9,5)/DiMe(9,3)) 129130 0 0 0 0 0 0 0 0999 V2000 1.4197 -5.8119 -4.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2633 -4.3566 -4.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.2225 -3.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 -4.9010 -3.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -4.7734 -1.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7093 -5.3812 -1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 -6.6592 -1.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4392 -6.7368 -1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2567 -7.9190 -1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8835 -5.4977 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3088 -5.1626 -2.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6752 -3.7319 -2.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5975 -2.9925 -0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2852 -3.0455 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2108 -2.1586 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8621 -2.4400 1.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5425 -1.5365 2.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4254 -0.0780 2.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3334 -0.1437 1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 0.0870 0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 -0.4887 1.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0541 -0.6326 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 -1.0260 1.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4548 -1.1470 0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6861 0.0297 0.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9992 0.0146 -0.8786 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8926 1.1684 -1.8964 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4249 0.3755 0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2421 -1.3632 -1.7619 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2033 -2.2298 -1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 -3.3922 -2.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0256 -4.0378 -2.3484 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3463 -4.3719 -1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5286 -4.0197 -1.7092 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9988 -5.7020 -1.6288 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 -0.0334 2.6794 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 -0.0781 4.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 -1.1354 4.6101 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 1.1743 4.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 2.3772 3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 2.6384 3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 3.7633 2.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 3.2876 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 4.2630 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 4.8145 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 5.6896 -1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1272 6.8330 -1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 8.0758 -1.0332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 8.8465 -1.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1509 10.2856 -0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 10.9015 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2519 10.2991 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 8.0712 -1.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 8.4807 -2.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4474 6.8065 -1.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 5.6259 -2.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8295 -4.7483 -2.0642 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4316 -6.2322 -5.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0703 -5.8561 -5.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8238 -6.4120 -4.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 5 67 1 0 5 68 1 0 7 69 1 0 9 70 1 0 9 71 1 0 9 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 0 22 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 28 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 35100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 52123 1 0 54124 1 0 54125 1 0 54126 1 0 56127 1 0 56128 1 0 56129 1 0 M END