HMDB0113010 RDKit 3D PE-NMe(14:1(9Z)/22:1(13Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -12.8302 -1.5889 7.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0487 -1.3500 6.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3913 0.0225 5.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6071 0.2308 4.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1426 0.1575 4.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3799 1.1818 4.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7933 2.4835 3.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1216 2.7372 2.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5431 1.6778 1.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1232 1.6446 0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7339 1.5182 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7625 2.5947 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 2.3056 -0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8266 1.0687 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3485 0.4829 1.1183 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6687 0.5584 -0.3959 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0613 -0.6225 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 -0.9667 -0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2811 -1.1880 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1436 -1.4838 -2.9611 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4869 -1.7280 -4.5779 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3835 -0.4063 -5.3435 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 -2.8360 -5.2204 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 -2.3788 -4.8464 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7994 -1.4789 -5.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 -2.0269 -5.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9939 -1.0918 -6.5778 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5048 -0.9169 -7.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 0.1103 -0.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 -0.0895 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 -1.2534 -0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 1.0847 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6932 0.6756 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 -0.2052 -1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 -0.5696 -1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9147 -1.4832 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7775 -1.0403 -3.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6805 -0.1321 -4.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 1.1206 -3.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2072 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1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 23 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END