HMDB0289097 RDKit 3D PC(DiMe(11,5)/18:3(10,12,15)-OH(9)) 144144 0 0 0 0 0 0 0 0999 V2000 -3.3546 -7.1526 -3.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -6.8782 -2.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9562 -7.0165 -3.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -7.8891 -2.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2735 -8.0452 -2.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -7.7388 -1.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0496 -6.7494 -1.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9957 -6.3714 -0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 -5.3522 -1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8092 -4.8920 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 -5.7547 0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5976 -3.4431 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -2.5734 -1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -1.1135 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2327 -0.6744 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0463 -1.0662 -1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7968 -0.5108 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 -0.9265 -1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6231 -0.3260 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5607 0.5483 0.4662 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 -0.7888 -0.7623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -0.4071 -0.2894 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6817 -1.5347 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8886 -1.6331 1.7603 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 -2.5136 2.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 -3.3746 2.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0479 -2.3749 3.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 -1.1681 3.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -0.8202 4.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4923 0.4477 4.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 1.0387 5.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 2.3007 4.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 1.9569 3.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6469 3.0062 2.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0794 4.0350 1.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 5.1697 2.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9153 5.1908 2.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1975 5.0471 2.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 5.1016 2.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 4.9686 2.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4147 6.2097 2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7475 7.1080 3.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6672 6.4493 4.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9133 7.4517 5.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 5.2937 4.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 5.4056 5.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5516 5.3509 4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3979 5.5609 5.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0765 -0.1804 -1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 -1.3159 -2.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4746 -1.0494 -3.3346 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.2291 -2.3816 -3.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6095 0.0673 -2.7565 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.8718 -0.6698 -4.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 0.3206 -4.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4886 0.5435 -6.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4948 1.5604 -6.4683 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.5465 2.0460 -7.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1581 1.0964 -6.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7891 2.6694 -5.5687 C 0 0 0 0 0 0 0 0 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H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4799 2.4040 -4.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 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 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 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