HMDB0289004 RDKit 3D PC(DiMe(11,3)/20:3(6,8,11)-OH(5)) 144144 0 0 0 0 0 0 0 0999 V2000 4.9637 -9.8280 -1.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 -8.7075 -2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -7.4797 -2.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 -7.6847 -2.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 -8.0985 -3.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 -8.2843 -3.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 -7.0287 -3.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5057 -5.9355 -4.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -4.6914 -4.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0112 -4.6095 -3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 -3.3460 -2.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3424 -2.7363 -1.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1626 -2.5009 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -1.8971 0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -1.6680 1.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 -1.0496 2.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 -1.4693 3.8092 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1487 0.4869 2.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 0.8316 2.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8963 2.2753 2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 2.8749 1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 2.1854 0.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 4.1636 0.6644 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7786 4.6690 -0.4425 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1324 5.9695 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 6.0343 0.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3084 7.1306 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5075 8.1603 -0.0348 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 7.2154 1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 6.0227 2.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9827 6.3360 3.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3304 5.4785 4.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8142 4.0953 4.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 3.1839 3.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3122 1.7123 3.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 1.6080 3.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 0.1414 3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 0.0535 2.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1429 0.7458 0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 1.8341 0.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2999 2.1799 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7114 3.3513 -1.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9883 4.5908 -1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5202 4.5533 -1.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 1.2191 -1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 1.0602 -2.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2901 0.2839 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3907 -0.8908 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 4.5740 -1.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 3.2480 -1.7135 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3733 2.9121 -2.8721 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.2488 4.0967 -3.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5448 2.4798 -4.3037 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.3105 1.5783 -2.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 1.3097 -3.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1628 0.1375 -2.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4813 -1.1071 -2.7922 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.2828 -1.2140 -3.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0872 -1.2394 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3274 -2.2593 -3.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6805 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-2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1747 -2.2753 -2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 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 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 42 43 1 0 43 44 1 0 41 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 24 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 39 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 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 6 25 95 1 0 25 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 37113 1 0 37114 1 0 38115 1 0 38116 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