HMDB0284844 RDKit 3D PE(DiMe(11,5)/18:3(9,11,15)-OH(13)) 135135 0 0 0 0 0 0 0 0999 V2000 -1.9194 -3.6819 3.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2395 -3.7319 5.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -2.3239 5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3976 -1.9610 6.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -0.6146 7.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.3676 6.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5689 -0.1076 6.7455 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1786 1.7082 7.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 2.8165 6.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 4.1537 6.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8729 5.1834 6.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7608 6.5875 6.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5054 7.2780 6.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 7.3000 4.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9159 8.0277 4.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 8.0674 2.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 8.7922 2.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6978 8.8629 0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 7.5069 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 7.3376 -0.8386 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 6.3823 1.1428 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9629 5.0507 0.7627 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5843 4.3917 0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6349 3.0302 0.6806 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4933 2.2584 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 2.7994 1.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 0.7974 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 0.0804 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 0.4654 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5628 0.2216 -1.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7332 0.5754 -2.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4594 0.3324 -3.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1033 -1.1049 -4.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8538 -1.4216 -5.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4656 -2.8835 -5.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2382 -3.2025 -7.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 -4.6363 -7.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5267 -5.6572 -7.8524 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7961 -6.7576 -7.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 -8.1221 -8.2653 C 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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 47 37 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 6 23 88 1 0 23 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 44120 1 0 46121 1 0 46122 1 0 46123 1 0 48124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 53129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 M END