HMDB0289315 RDKit 3D PC(DiMe(9,3)/20:3(6,8,11)-OH(5)) 138138 0 0 0 0 0 0 0 0999 V2000 2.3233 1.7799 -7.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 0.7361 -6.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 1.3851 -6.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6262 2.2638 -5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 2.9431 -5.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 3.8172 -3.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 3.0360 -2.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3571 3.9659 -1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9756 3.1712 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8821 3.4184 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 2.6926 1.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 2.0778 1.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 2.2033 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 1.6125 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.7760 -1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 1.2606 -1.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5023 0.6941 -0.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 0.3218 -2.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 -0.0678 -2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 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2.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5863 3.7082 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5097 3.2496 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1455 3.3170 3.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6821 4.6152 4.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0026 2.7075 4.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1061 3.2041 5.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 -3.9983 -2.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4579 -5.2519 -2.7118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 -5.0751 -2.4713 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5580 -6.2542 -1.6255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 -5.0230 -3.9254 O 0 0 0 0 0 1 0 0 0 0 0 0 2.4438 -3.6881 -1.6023 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2614 -2.8206 -2.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 -1.5716 -1.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2593 -1.9176 -0.2903 N 0 0 0 0 0 4 0 0 0 0 0 0 5.2245 -2.9699 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -0.7191 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 -2.3414 0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0204 2.2850 -6.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 1.2512 -7.6648 H 0 0 0 0 0 0 0 0 0 0 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25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 39 43 2 0 43 44 1 0 43 45 1 0 45 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 45 37 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 6 25 93 1 0 25 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 44118 1 0 44119 1 0 44120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 M CHG 2 51 -1 55 1 M END