HMDB0061540 RDKit 3D PE(MonoMe(13,5)/MonoMe(11,5)) 147148 0 0 0 0 0 0 0 0999 V2000 -1.8912 4.1733 -2.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7713 5.3636 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 5.2743 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5821 5.2011 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3245 5.1058 1.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 5.0406 3.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 6.1363 3.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1972 5.6817 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5217 6.5563 5.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 4.3054 4.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 3.4166 5.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0897 2.0749 5.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2992 1.2691 6.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8483 -0.1234 7.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 -0.7215 8.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4345 -0.9306 7.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 -1.9601 6.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3096 -1.9853 6.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 -3.0036 5.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8752 -3.1995 4.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2892 -2.1650 3.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5124 -0.9024 3.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1804 -1.2768 2.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 -2.4740 2.6008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 -0.3364 2.4436 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 -0.7226 1.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7364 0.6119 1.6277 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1918 0.4359 1.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6249 -0.0165 0.2105 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3018 -0.1691 0.2986 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6503 -1.4539 -0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7268 -0.3788 1.9307 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1455 1.0895 -0.3997 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4971 0.8260 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2917 1.9364 -1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1832 3.1918 -0.3764 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 1.4747 0.8005 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 2.5647 1.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 2.6829 2.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 3.5686 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 3.0857 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 2.4500 -1.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 1.9428 -2.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 1.4206 -3.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5268 0.8377 -4.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0717 0.4015 -6.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2785 -0.2687 -6.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0999 -0.7304 -8.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 -1.6089 -8.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 -2.8202 -7.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9443 -2.9481 -6.5166 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -4.1330 -5.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 -4.6505 -4.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8478 -4.3709 -3.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 -4.8728 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -4.6494 -1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -5.1498 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9991 -4.8601 -6.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4961 -3.9990 -7.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -4.3342 -8.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9154 3.9956 3.6475 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 4.1311 -3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9425 4.2209 -1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3903 3.2216 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4774 5.5026 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1191 6.2571 -1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2246 4.4097 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1258 6.2330 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 4.2718 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 6.0882 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 6.0061 1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0098 4.2342 1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2443 7.1730 3.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3398 5.9817 6.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4787 6.8734 5.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1206 7.4469 6.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 3.3101 5.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2826 3.9279 6.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 1.5882 4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0766 2.3031 6.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7647 1.2661 6.4800 H 0 0 0 0 0 0 0 0 0 0 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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 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 22 99 1 0 22100 1 0 26101 1 0 26102 1 0 27103 1 1 28104 1 0 28105 1 0 32106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 58144 1 0 60145 1 0 60146 1 0 60147 1 0 M END