HMDB0113001 RDKit 3D PE-NMe(14:1(9Z)/18:3(6Z,9Z,12Z)) 116115 0 0 0 0 0 0 0 0999 V2000 -12.0087 6.0927 -1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7137 6.8497 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7156 6.4980 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4174 4.9922 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8483 4.5765 -1.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6621 4.0057 -1.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7470 3.7061 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5307 2.1909 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6173 1.7901 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 0.2771 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7093 -0.4655 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6345 -1.9444 0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8651 -2.5812 1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4233 -2.2725 1.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8871 -1.7362 2.9045 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5961 -2.5318 0.8288 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2312 -2.3129 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4799 -3.0742 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 -4.4567 1.8620 C 0 0 0 0 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1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 23 79 1 0 25 80 1 0 25 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 48116 1 0 M END