HMDB0061436 RDKit 3D PC(MonoMe(11,3)/DiMe(11,5)) 148149 0 0 0 0 0 0 0 0999 V2000 -3.8214 -0.9380 -4.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7504 -1.5268 -3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -2.4424 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8998 -3.0451 -1.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6799 -3.8883 -1.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 -4.5275 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8552 -4.2608 0.7614 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0893 -5.0000 1.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 -5.0683 3.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6118 -6.2889 3.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -6.4203 2.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -5.6255 2.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 -4.1868 2.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 -3.3593 1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 -3.7981 0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -2.9846 -0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 -1.5346 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4933 -1.5745 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1748 -0.2996 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2162 -0.3127 1.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 0.9409 -0.1767 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6628 2.0838 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9505 3.2506 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9335 3.7872 -0.1438 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 4.9119 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5396 5.4285 1.3635 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 5.5272 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 5.1830 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2948 5.7891 -0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 5.4317 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 3.9145 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 3.3042 -1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 1.8239 -1.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7859 0.9988 -0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 1.0350 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 0.7133 1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9831 0.7229 2.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 -0.3559 3.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2103 -0.1486 4.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7794 -1.1825 5.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2631 -0.5433 6.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 -1.6805 7.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1807 1.2026 4.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 1.7638 3.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8293 3.1955 3.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 2.5784 -1.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3057 1.6317 -1.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 2.2083 -2.9017 P 0 0 0 0 0 5 0 0 0 0 0 0 6.4454 1.6754 -4.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 1.6654 -2.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 3.8905 -2.9425 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 4.3774 -4.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0145 5.8659 -4.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0364 6.5509 -3.5051 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7915 5.8522 -3.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5675 6.7328 -2.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7737 7.8869 -4.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1451 -5.8547 1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7817 -6.8978 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -5.5506 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5791 -6.1845 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8088 -0.6503 -5.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2893 -1.6416 -5.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 -0.0009 -4.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8218 -2.1113 -3.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8104 -0.7154 -2.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8945 -1.9432 -3.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8063 -3.2931 -3.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8177 -3.6841 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9874 -2.2113 -1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 -4.6151 -2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 -3.2378 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8925 -4.1688 3.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3197 -5.0857 3.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -7.1706 3.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -6.4559 4.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 -7.5198 2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -6.2746 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 -6.0307 3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7018 -6.0031 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 -3.7177 3.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 -3.9501 3.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3544 -3.3100 1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -2.3140 1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2731 -4.8275 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6407 -3.9881 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 -3.0044 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 -3.4653 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 -1.0435 -1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 -1.0926 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 -2.1643 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 -2.2298 1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4886 1.8020 0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 3.1132 1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7123 4.0825 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 5.2438 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 6.6227 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2759 5.6881 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3305 4.1227 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1723 5.5067 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2026 6.8920 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 5.7868 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 5.8556 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 3.5320 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9018 3.7877 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8074 3.5572 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6003 3.6837 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 1.4609 -2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8326 1.4739 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9957 -0.0733 -1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8002 1.2223 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 0.1252 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 1.8573 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9003 -0.3102 1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 1.4598 1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 -1.8379 5.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0435 -1.7853 5.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0075 0.1033 7.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 0.0757 6.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 -1.3107 8.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 -2.4278 7.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -2.1829 7.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8489 1.7532 5.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 3.3855 2.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6888 3.7577 4.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 3.4687 2.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 2.8485 -1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0029 3.4818 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9686 1.3675 -3.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 3.9498 -4.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8082 3.9967 -4.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8436 6.1393 -5.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 6.2191 -4.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9758 6.6071 -3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 5.2578 -4.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7979 5.2578 -2.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6146 6.3880 -2.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0009 6.0870 -1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4787 7.7745 -1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1475 7.8376 -4.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 8.3721 -4.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 8.4676 -3.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3897 -7.8994 2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9013 -6.8790 2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6162 -6.5921 3.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2778 -6.0634 -1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6047 -7.2736 -0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5349 -5.6715 -0.5134 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 39 43 2 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 8 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 6 2 0 44 37 2 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 22 93 1 0 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 42122 1 0 43123 1 0 45124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 50129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 55134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 57142 1 0 59143 1 0 59144 1 0 59145 1 0 61146 1 0 61147 1 0 61148 1 0 M CHG 1 54 1 M END