HMDB0289060 RDKit 3D PC(DiMe(11,5)/18:2(10E,12Z)+=O(9)) 144144 0 0 0 0 0 0 0 0999 V2000 -5.8138 -2.3712 -6.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3631 -2.2496 -6.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4775 -2.1402 -7.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 -2.0258 -7.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0371 -1.9110 -8.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 -0.7520 -9.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3821 0.2102 -9.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9224 0.2331 -8.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7557 1.2648 -8.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 1.3612 -8.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 2.3591 -8.3893 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 0.3676 -7.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9515 0.6331 -6.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 1.8767 -5.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2328 1.9595 -4.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 0.8461 -3.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 0.9089 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 2.1617 -1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 2.1932 -0.4465 C 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 2.3681 -1.7600 -2.7575 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 39 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 22 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 47 37 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 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 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 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 22 90 1 1 23 91 1 0 23 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 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 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 44123 1 0 46124 1 0 46125 1 0 46126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 53 -1 57 1 M END