HMDB0114714 RDKit 3D PE-NMe2(9D3/11D3) 135136 0 0 0 0 0 0 0 0999 V2000 14.0488 -5.9955 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4980 -4.6859 -0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4339 -4.0208 -1.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1892 -3.6750 -0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9218 -2.4746 -0.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7611 -2.4531 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1166 -1.2800 0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0640 -0.7230 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3332 0.4484 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 0.1517 1.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5177 -0.9133 1.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5049 -0.5096 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7699 0.7404 0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9607 0.7498 2.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 -0.2631 2.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8498 -0.1289 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 1.1418 1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3587 1.9821 1.9987 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 1.5525 0.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 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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 6 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 4 2 0 41 33 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 7 65 1 0 7 66 1 0 8 67 1 0 8 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 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 38110 1 0 40111 1 0 40112 1 0 40113 1 0 42114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 47119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 52124 1 0 52125 1 0 52126 1 0 53127 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