HMDB0061417 RDKit 3D PC(DiMe(9,3)/DiMe(11,3)) 139140 0 0 0 0 0 0 0 0999 V2000 11.9721 6.7481 -3.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3733 5.4880 -2.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2526 5.6130 -1.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 4.3659 -0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4416 4.1598 -0.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3182 2.9302 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0814 2.2991 0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 1.4707 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 0.8368 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5270 -0.0561 1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 -0.7663 1.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7715 -1.6705 2.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6977 -2.4826 3.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -1.7627 4.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 -2.7899 4.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9381 -3.5242 3.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1957 -2.5300 2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 -1.5241 3.3738 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 -2.5753 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 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0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 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 35 39 2 0 39 40 1 0 39 41 1 0 41 42 1 0 20 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 6 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 4 2 0 41 33 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 38111 1 0 40112 1 0 40113 1 0 40114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 47120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 52125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 54133 1 0 56134 1 0 56135 1 0 56136 1 0 58137 1 0 58138 1 0 58139 1 0 M CHG 1 51 1 M END