HMDB0061390 RDKit 3D PC(DiMe(11,3)/DiMe(11,3)) 145146 0 0 0 0 0 0 0 0999 V2000 -1.5260 0.2933 7.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0761 -0.3488 6.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 -0.6429 5.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -1.2828 4.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -0.7197 3.2609 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5488 -1.5983 2.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 -1.3516 0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3538 -1.9132 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7855 -1.5679 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5255 -1.9836 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9904 -1.5924 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2107 -0.1114 1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6964 0.2117 1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9202 1.7072 0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3247 2.2602 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5273 3.7628 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9049 4.2567 -1.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6113 4.7633 -2.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5395 4.1303 -1.8481 O 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 -1.8175 -4.6176 4.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 -3.3894 6.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 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 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 49 53 2 0 53 54 1 0 53 55 1 0 55 56 1 0 6 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 4 2 0 55 47 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 33106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 52133 1 0 54134 1 0 54135 1 0 54136 1 0 56137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 60143 1 0 60144 1 0 60145 1 0 M CHG 1 30 1 M END