HMDB0061575 RDKit 3D PS(DiMe(13,5)/MonoMe(11,3)) 147148 0 0 0 0 0 0 0 0999 V2000 16.1142 3.3776 -1.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4208 1.9217 -2.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1573 1.1022 -2.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4019 -0.3621 -2.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0882 -1.0924 -2.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5837 -0.9101 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6173 -0.1471 -0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4800 -0.2733 0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 0.4688 1.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3442 -0.5177 2.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2175 0.0942 2.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1797 -0.9772 3.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6704 -1.5214 1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0314 -0.4282 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8594 0.1049 1.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.2046 1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6214 0.7008 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7522 -0.4960 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 -0.3844 0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 0.6628 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 0.6304 0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 1.5261 1.6677 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6397 -0.4014 0.6861 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8372 -0.6118 1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8075 0.5041 1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9988 0.6461 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 1.7254 -0.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 1.8400 -2.4223 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6511 3.2492 -2.8359 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5972 1.4653 -2.8527 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 0.7797 -3.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6124 -0.2087 -3.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7151 -1.1932 -4.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8423 -1.8920 -3.6726 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5636 -2.1801 -5.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3905 -1.7533 -6.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4992 -3.5444 -5.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0344 0.3192 1.6639 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6192 1.2064 2.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 2.2922 2.7762 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9434 0.8974 3.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4926 -0.4149 2.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7935 -0.5520 1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2802 -1.9686 0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6140 -2.2177 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7461 -1.3773 -1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0289 -1.6714 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2089 -0.8995 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1004 0.5796 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2883 1.3368 -1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5724 1.0133 -0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0497 1.7899 0.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1731 1.3453 0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0175 1.9110 2.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4505 3.1730 2.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2935 4.2619 1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5040 0.2005 0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4670 -0.0031 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3629 -1.0865 -1.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4067 -1.1776 1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6164 -1.6299 2.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1068 -1.5807 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2211 -2.5605 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3274 3.6938 -2.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6297 3.4410 -0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0326 3.9832 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1638 1.6156 -1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8948 1.7602 -3.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8361 1.2160 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4304 1.4523 -2.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1683 -0.7165 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7993 -0.4766 -3.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3709 -0.6619 -2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2921 -2.1630 -2.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8968 0.9046 2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0171 1.2663 1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9145 -0.8778 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7795 -1.3252 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8220 0.9539 2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6169 0.4773 3.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6941 -1.8433 3.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3807 -0.6522 3.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8539 -2.2929 2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4110 -2.1113 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7533 0.3552 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6777 -0.8951 0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2081 0.5771 2.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 -0.7161 2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8181 2.0369 0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 1.5277 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0533 1.5539 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4607 0.4999 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -1.3446 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4752 -0.7511 -1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -0.2658 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 -1.3690 0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 1.6862 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2711 0.4653 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 -1.6094 1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 -0.6518 2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 1.4618 1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0085 0.7454 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5097 -0.2863 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8176 0.5367 -2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3456 -0.7214 -3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2102 0.3211 -4.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 -0.6375 -5.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9826 -1.6410 -2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 -2.9137 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2994 -4.0771 -4.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6835 1.7017 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8911 0.9065 4.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3939 -0.6639 3.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7359 -1.1969 2.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5255 0.1991 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -0.3998 0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 -2.2062 1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4679 -2.6695 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7221 -2.1238 -1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9347 -3.2796 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9103 -1.7025 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4946 -0.3131 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2564 -2.7506 -0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9011 -1.5325 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5094 -1.2550 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0595 -1.1932 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2086 0.9915 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9673 0.9259 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0917 2.4506 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4246 1.1658 -2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1257 1.1887 2.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0212 2.1601 1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1660 3.4984 3.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5012 2.9385 3.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1646 4.9463 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3789 4.8270 1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1893 3.8212 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3685 -0.4513 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7222 -0.7109 -2.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3568 -1.3078 -2.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9251 -2.0209 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3197 -2.6741 3.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1422 -0.9200 3.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7151 -1.5874 3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1634 -3.1019 -0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0611 -3.3616 1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2058 -2.1251 0.4822 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 1 0 7 8 1 0 8 9 1 0 9 10 1 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 35 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 53 57 2 0 57 58 1 0 58 59 1 0 8 60 2 0 60 61 1 0 60 62 1 0 62 63 1 0 62 6 2 0 58 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 9 75 1 0 9 76 1 0 10 77 1 0 10 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 24100 1 0 25101 1 0 26102 1 0 26103 1 0 30104 1 0 32105 1 0 32106 1 0 33107 1 0 34108 1 0 34109 1 0 37110 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 56137 1 0 57138 1 0 59139 1 0 59140 1 0 59141 1 0 61142 1 0 61143 1 0 61144 1 0 63145 1 0 63146 1 0 63147 1 0 M END