HMDB0061509 RDKit 3D PE(DiMe(9,5)/DiMe(13,5)) 147148 0 0 0 0 0 0 0 0999 V2000 4.8835 3.5038 -3.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9704 4.3364 -5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0029 3.7436 -6.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 4.4629 -7.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 3.7366 -8.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 2.3108 -8.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 1.2689 -7.9104 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4231 0.1659 -8.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 -1.2248 -7.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1984 -1.6899 -6.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 -0.7477 -5.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 -1.0326 -4.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 -2.3803 -4.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -2.6684 -2.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7259 -1.6421 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -1.6157 -1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -2.8998 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4518 -2.8488 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1769 -1.7368 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -1.8143 1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 -0.7132 2.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 -0.8240 2.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 0.4037 2.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 1.4535 3.1764 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5759 2.7588 2.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 2.8064 1.4846 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 2.6392 1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2103 2.4078 2.7608 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7272 2.7137 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 2.6033 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5865 1.3332 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3207 0.1115 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -1.1557 1.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2248 -1.6990 2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 -0.9979 3.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7346 -1.8618 5.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 -3.1540 5.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9363 -4.2763 4.7234 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7613 -5.2941 4.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4061 -6.6658 4.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8663 -7.0643 3.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3439 -6.9635 2.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6941 -7.4127 1.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1808 -7.3237 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9084 -4.7710 5.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1305 -5.5048 5.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7265 -3.4130 5.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6982 -2.4620 6.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8683 1.7433 4.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 2.8050 5.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6384 3.2051 6.1533 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2230 2.7032 7.5137 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1129 2.4740 5.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 4.8730 6.2136 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 5.5979 5.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2119 7.0760 5.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1368 7.9366 5.4628 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3773 0.5007 -9.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3029 -0.4164 -9.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3295 1.8888 -9.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2206 2.6380 -10.2577 C 0 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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 24 97 1 1 25 98 1 0 25 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 43122 1 0 43123 1 0 44124 1 0 44125 1 0 44126 1 0 46127 1 0 46128 1 0 46129 1 0 48130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 53135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 59142 1 0 59143 1 0 59144 1 0 61145 1 0 61146 1 0 61147 1 0 M END