HMDB0061601 RDKit 3D PS(MonoMe(11,3)/DiMe(9,5)) 135136 0 0 0 0 0 0 0 0999 V2000 -10.9426 8.2457 2.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4157 7.4854 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8846 6.1183 1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9135 5.2170 2.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2794 3.8562 2.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7886 3.3210 1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5497 3.2535 0.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4762 2.7322 -0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2349 2.4951 -1.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9405 1.0116 -1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7417 0.4560 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4859 -1.0383 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2414 -1.3876 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1713 -2.9068 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9904 -3.4421 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 -3.0073 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 -3.5849 -1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7808 -4.0881 -2.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 -3.5664 -1.0677 O 0 0 0 0 0 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37 38 1 0 38 39 1 0 39 40 1 0 37 41 2 0 41 42 1 0 42 43 1 0 20 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 2 0 53 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 42 35 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 40116 1 0 41117 1 0 43118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 48123 1 0 50124 1 0 50125 1 0 51126 1 0 52127 1 0 52128 1 0 55129 1 0 57130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 M END