HMDB0289627 RDKit 3D PC(P-18:0/20:3(6,8,11)-OH(5)) 142141 0 0 0 0 0 0 0 0999 V2000 -6.9685 6.0621 2.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0985 5.1202 1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9984 5.3444 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2067 4.3563 -0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 4.5690 -1.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2374 3.6291 -2.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1636 2.1860 -2.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2655 1.2414 -3.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1875 -0.1397 -3.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2117 -0.9622 -3.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1122 -2.3580 -2.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8129 -2.5070 -2.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 -2.8274 -0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5149 -2.9554 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -3.2703 1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1907 -3.4259 1.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 -2.8028 3.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 -2.6835 1.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -2.7968 2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7496 -4.1594 2.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 -4.9305 1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -6.0305 1.2961 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -4.5966 -0.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2985 -5.4359 -1.2406 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1750 -4.7970 -2.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -3.8438 -3.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1673 -2.6483 -3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 -1.7974 -2.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 -0.4547 -2.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8241 -0.3292 -1.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 0.9862 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8677 2.1984 -1.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9553 2.3114 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 3.6267 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 3.9226 1.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 2.8768 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7787 3.1512 3.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4227 4.4510 4.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8075 4.6425 3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2431 6.0392 3.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 6.3894 3.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 6.4346 2.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 7.3971 1.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6721 7.3266 1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 -6.0485 -1.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 -5.1404 -2.5489 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0402 -6.0482 -3.3050 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4380 -6.4136 -4.7233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3748 -5.1482 -3.2809 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.1953 -7.4353 -2.3588 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 -7.1237 -1.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4247 -8.3224 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4195 -7.9962 0.4735 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1134 -9.1802 0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 -7.4055 1.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4029 -7.0499 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8985 6.0106 3.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1025 5.7417 3.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8805 7.1059 2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0332 4.0829 1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 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 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 24 90 1 1 25 91 1 0 25 92 1 0 27 93 1 0 28 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 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 54134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 M CHG 2 49 -1 53 1 M END