HMDB0285057 RDKit 3D PE(PGD1/DiMe(9,3)) 131132 0 0 0 0 0 0 0 0999 V2000 15.5504 3.6019 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9059 3.0053 -1.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4816 2.5981 -1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4605 1.6007 -0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0700 1.2285 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2214 0.6193 -0.8524 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0098 1.4277 -1.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9232 0.0953 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8933 -0.1012 -1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5448 -0.6052 -0.6751 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3194 -1.8205 -1.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6324 -1.9146 -2.6677 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6647 -2.8362 -0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8198 -2.3983 0.7331 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6055 -2.5312 1.3884 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3121 -0.9519 0.7303 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5351 -0.0763 1.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 0.2872 1.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 0.9740 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1044 1.1868 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 2.0081 1.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3727 2.3106 1.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 1.0517 2.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5502 1.1905 2.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -0.2110 1.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 -1.4333 2.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 -1.6743 1.3608 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6854 -1.6543 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3307 -2.5096 -0.5285 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 -2.5085 -2.2115 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0744 -1.3090 -2.8706 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2009 -2.5474 -2.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1328 -3.8967 -2.9065 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -3.8945 -2.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9762 -5.2015 -3.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4186 -5.3228 -3.5007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.8163 1.7655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -1.3275 2.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0666 -2.5939 2.5503 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1816 -0.4837 2.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2112 -0.4195 1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 -1.7738 1.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7686 -1.9433 0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6512 -1.4779 -1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5321 -0.0190 -1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6875 0.7633 -0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9747 0.3119 -1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1291 1.0832 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7449 2.0658 -1.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7153 2.5191 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6187 3.6287 -0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0105 3.1806 -1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8155 4.4545 -1.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7290 1.7698 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6309 1.9030 1.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7012 0.8539 0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3203 -0.1725 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7484 4.0467 0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1007 2.7938 0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2114 4.4348 -0.7433 H 0 0 0 0 0 0 0 0 0 0 0 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0 56 57 1 0 16 10 1 0 56 48 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 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 6 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 6 13 74 1 0 13 75 1 0 14 76 1 1 15 77 1 0 16 78 1 1 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 1 28 94 1 0 28 95 1 0 32 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 53125 1 0 55126 1 0 55127 1 0 55128 1 0 57129 1 0 57130 1 0 57131 1 0 M END