HMDB0061583 RDKit 3D PS(DiMe(9,3)/DiMe(9,5)) 132133 0 0 0 0 0 0 0 0999 V2000 7.6779 2.6459 1.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 2.8548 1.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7442 3.8869 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1865 0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 2.9731 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 3.3655 0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0689 3.5670 -0.1391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0932 3.8998 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 4.2178 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 3.2433 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 1.8890 -0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4634 1.1016 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4962 -0.2696 -1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -0.2434 -2.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3802 -1.6588 -3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1614 -1.7309 -4.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 -1.3167 -5.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 -2.1059 -5.6533 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4145 -0.0172 -5.0334 O 0 0 0 0 0 0 0 0 0 0 0 0 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1 0 55 57 1 0 57 58 1 0 57 6 2 0 41 33 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 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 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 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 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 38111 1 0 40112 1 0 40113 1 0 40114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 47120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 51125 1 0 54126 1 0 56127 1 0 56128 1 0 56129 1 0 58130 1 0 58131 1 0 58132 1 0 M END