HMDB0061475 RDKit 3D PE(DiMe(11,3)/DiMe(9,5)) 135136 0 0 0 0 0 0 0 0999 V2000 -4.0693 -3.2354 2.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1613 -4.6893 2.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 -5.2109 3.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6742 -5.2304 2.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -6.0326 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4229 -5.8781 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 -5.0405 -0.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 -5.0770 -1.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -4.2423 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 -4.9654 -4.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -3.9699 -5.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7619 -3.1260 -5.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6018 -2.0411 -6.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2038 -1.3962 -6.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 -0.9084 -4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4183 -0.2979 -4.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5634 -0.0128 -3.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5675 -0.0685 -2.2738 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.3059 -2.4706 O 0 0 0 0 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38 39 1 0 39 40 1 0 37 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 20 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 8 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 6 2 0 43 35 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 20 85 1 1 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 40114 1 0 42115 1 0 42116 1 0 42117 1 0 44118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 49123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 55130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 M END