HMDB0061490 RDKit 3D PE(DiMe(13,5)/DiMe(11,5)) 153154 0 0 0 0 0 0 0 0999 V2000 -4.7299 -2.6991 7.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0494 -1.4411 7.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5452 -1.5648 7.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9525 -1.8928 6.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -1.9683 6.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2871 -2.3267 5.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -1.6804 4.7496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5345 -2.3822 3.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4389 -2.0865 2.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9046 -2.0076 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1326 -0.9798 0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0923 -0.3171 1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0124 0.6263 2.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 1.3390 2.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3701 0.3657 2.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 0.9157 3.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5162 1.2675 1.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0002 2.1696 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 2.3560 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6662 3.1941 -1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 2.4325 -1.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8428 3.0348 -2.7624 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 1.1195 -1.7144 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 0.2682 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 0.0659 -3.7483 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9748 -0.3185 -4.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 -0.4316 -5.4455 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7692 -0.8330 -5.7945 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.3460 0.3265 -6.5928 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7687 -2.2539 -6.6986 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 -1.0352 -4.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8210 -0.1839 -4.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6218 -0.3473 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7994 0.5037 -3.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 -0.8563 -4.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 -0.6927 -5.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4815 0.4225 -5.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 -1.8040 -5.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 -1.5209 -6.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 -0.3995 -6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.5490 -5.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1386 0.5931 -5.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4548 1.8923 -4.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3332 3.0876 -4.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4322 3.1950 -3.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 3.1642 -2.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 3.3950 -1.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 3.4841 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 3.3586 0.4305 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 3.4866 1.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0736 3.4302 2.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9781 2.2973 3.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1766 0.9186 3.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1748 0.3704 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7674 0.3122 2.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7757 3.7046 1.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 3.9028 3.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2783 3.6982 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8426 3.8996 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 -3.6804 4.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -4.8627 3.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 -3.6526 5.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 -4.7940 5.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9857 -2.6320 6.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 -2.8751 8.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -3.5933 7.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4117 -1.2412 8.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3597 -0.5538 7.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 -0.6660 8.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -2.4118 8.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 -1.1434 5.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -2.8688 6.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2352 -2.6553 7.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 -0.9298 7.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0754 -1.1919 2.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2244 -2.9177 2.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3986 -3.0561 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8007 -2.2070 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 -0.1740 0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8877 -1.4216 -0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4527 0.3194 0.2058 H 0 0 0 0 0 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0 54 55 1 0 50 56 2 0 56 57 1 0 56 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 48 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 6 26102 1 0 26103 1 0 30104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 55141 1 0 57142 1 0 57143 1 0 57144 1 0 59145 1 0 59146 1 0 59147 1 0 61148 1 0 61149 1 0 61150 1 0 63151 1 0 63152 1 0 63153 1 0 M END