HMDB0061543 RDKit 3D PE(MonoMe(9,5)/DiMe(11,3)) 132133 0 0 0 0 0 0 0 0999 V2000 2.5696 2.8034 -7.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 2.9079 -7.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2943 3.1813 -5.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9847 4.4932 -5.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 4.7198 -4.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7594 3.6012 -3.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 2.4044 -2.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2798 1.6954 -2.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2871 0.3477 -1.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 2.4977 -2.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7817 2.1890 -2.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2302 2.1773 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 3.2860 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1116 3.9664 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1313 4.6501 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0678 5.3997 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6004 6.4633 1.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 7.0938 2.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7177 6.0209 3.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 5.8580 4.4415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 5.2275 2.7492 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 4.2272 3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8974 3.4283 2.7254 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9721 4.3622 2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0381 3.7486 1.6797 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2523 4.8471 1.2942 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5323 5.6641 2.5341 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 5.8136 0.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6568 4.0638 0.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6136 3.7237 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8476 3.0255 -1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1185 1.8015 -0.3464 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 2.3879 3.5955 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 1.0779 3.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 0.9452 2.3651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2605 -0.1049 4.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3268 -1.2163 3.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 -2.5273 4.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8007 -3.2588 4.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3192 -3.6387 2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7788 -2.5135 2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2766 -2.9654 0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0629 -3.5840 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 -4.0326 -1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -4.5913 -2.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 -5.7616 -1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 -7.0278 -1.9767 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 -7.8291 -1.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 -9.3213 -1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 -9.9620 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 -9.5483 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 -7.0956 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 -7.5518 0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3644 -5.7673 -0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 -4.6031 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 3.6018 -3.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4263 3.1934 -7.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 3.3565 -8.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 1.7366 -8.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 1.9379 -7.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 3.6731 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1 0 10 56 1 0 56 6 1 0 54 46 2 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 7 68 1 0 9 69 1 0 9 70 1 0 9 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 0 22 89 1 0 23 90 1 6 24 91 1 0 24 92 1 0 28 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 51126 1 0 53127 1 0 53128 1 0 53129 1 0 55130 1 0 55131 1 0 55132 1 0 M END