HMDB0061626 RDKit 3D PS(MonoMe(9,5)/DiMe(13,5)) 147148 0 0 0 0 0 0 0 0999 V2000 -17.9351 -0.0668 2.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5790 -0.3896 1.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7341 -1.0059 2.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3490 -1.3594 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6390 -0.1456 1.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2959 -0.5640 1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1071 -0.6289 2.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1665 -1.0666 1.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7273 -1.3472 1.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7952 -1.2518 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3544 -1.6813 -1.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0855 -0.6074 -2.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1153 0.4525 -2.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0443 1.4157 -1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1404 2.5626 -1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7514 2.4306 -1.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 1.7658 -0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8761 0.3161 -0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7073 -0.1904 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6374 -1.4186 0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7517 0.6373 0.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6046 0.3076 1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 -0.5369 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5915 0.2437 -0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 -0.5193 -1.7967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 0.2277 -3.2691 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1550 1.4178 -3.0943 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.7921 -4.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 0.7783 -3.9554 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 1.5583 -5.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 2.1049 -5.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0135 2.9558 -4.9505 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0168 1.0701 -6.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 1.1090 -6.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4397 0.0609 -7.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5029 -0.9071 0.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0434 -2.1449 1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6794 -3.1146 0.6857 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.4933 1.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 -1.4532 2.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 -0.1640 1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 0.7456 2.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3938 0.3618 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 0.1472 2.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 -0.9612 1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8543 -1.0869 0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1606 0.1052 -0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3622 0.0205 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6739 -0.2033 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0673 0.8658 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4304 0.6143 0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4964 1.3120 0.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5743 0.8830 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9120 1.4659 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7202 0.7162 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9010 -0.7182 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7816 -1.3340 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0827 -0.5849 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2070 -0.1513 2.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0170 -0.9572 3.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8286 -0.3154 1.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0049 -1.3268 2.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0692 -0.9355 0.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.9633 0.9745 2.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2354 -0.7597 3.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7264 -0.0481 1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1668 0.5552 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7458 -1.1027 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2213 -1.9253 3.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6593 -0.2758 3.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7327 -1.7620 3.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3913 -2.1176 1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1867 0.3742 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4239 0.5916 2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9515 -0.3849 3.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5817 -2.1494 2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2494 -1.7246 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2143 -0.4425 1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5267 -2.4480 -1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2003 -2.3142 -1.8222 H 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 14.2690 -1.9607 2.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9703 -0.4781 3.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3016 -1.4822 3.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0776 -2.3234 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9246 -1.0244 2.5956 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 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 31 33 1 0 33 34 2 0 33 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 53 59 2 0 59 60 1 0 59 61 1 0 61 62 1 0 10 63 1 0 63 6 1 0 61 51 2 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 7 75 1 0 9 76 1 0 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 22 95 1 0 22 96 1 0 23 97 1 0 24 98 1 0 24 99 1 0 28100 1 0 30101 1 0 30102 1 0 31103 1 0 32104 1 0 32105 1 0 35106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 58139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 62145 1 0 62146 1 0 62147 1 0 M END