HMDB0061399 RDKit 3D PC(DiMe(11,5)/DiMe(11,3)) 151152 0 0 0 0 0 0 0 0999 V2000 6.7739 5.9674 -1.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5446 5.0190 -0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5738 4.6027 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 3.6742 1.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5509 3.1790 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3119 2.4310 2.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1946 1.1130 2.1492 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 0.7316 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -0.6548 1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4195 -1.0314 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -2.4089 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 -2.7670 -1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 -4.1375 -1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4507 -4.5232 -3.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8187 -3.6729 -4.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3013 -3.5709 -4.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 -2.6601 -5.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 -2.4082 -5.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3312 -1.8266 -4.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 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1 0 61 6 2 0 57 49 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 22 94 1 0 22 95 1 0 23 96 1 0 24 97 1 0 24 98 1 0 28 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 33104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 35112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 54139 1 0 56140 1 0 56141 1 0 56142 1 0 58143 1 0 58144 1 0 58145 1 0 60146 1 0 60147 1 0 60148 1 0 62149 1 0 62150 1 0 62151 1 0 M CHG 1 32 1 M END