HMDB0061420 RDKit 3D PC(DiMe(9,3)/DiMe(9,3)) 133134 0 0 0 0 0 0 0 0999 V2000 -2.6918 -3.8327 -3.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1628 -3.9462 -2.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8041 -4.6063 -2.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 -3.8291 -3.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0287 -2.7252 -3.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 -2.3470 -4.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 -1.1557 -5.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.2097 -5.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 0.2931 -3.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 1.0419 -3.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 2.2724 -4.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 2.9916 -3.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2686 3.4099 -2.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4884 4.1286 -1.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3779 4.5520 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2772 5.3027 0.3437 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 4.1362 0.6552 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 4.5440 2.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 4.0090 2.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 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51 1 0 51 52 1 0 6 53 2 0 53 54 1 0 53 55 1 0 55 56 1 0 55 4 2 0 51 43 2 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 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 31 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 48121 1 0 50122 1 0 50123 1 0 50124 1 0 52125 1 0 52126 1 0 52127 1 0 54128 1 0 54129 1 0 54130 1 0 56131 1 0 56132 1 0 56133 1 0 M CHG 1 28 1 M END