HMDB0061406 RDKit 3D PC(DiMe(11,5)/MonoMe(13,5)) 160161 0 0 0 0 0 0 0 0999 V2000 -3.5765 4.4845 2.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2185 3.4142 3.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5788 2.9913 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 2.4457 1.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8265 2.0125 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6850 1.4731 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7350 1.0161 -0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2284 0.6016 -2.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9818 0.0401 -3.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 0.8307 -1.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9536 0.4991 -3.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5059 0.7306 -2.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 2.1712 -2.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7026 2.2333 -2.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 3.5191 -1.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 4.7435 -2.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7202 4.9992 -4.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 4.4795 -5.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1374 3.0232 -5.6222 C 0 0 0 0 0 0 0 0 0 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16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 43 49 2 0 49 50 1 0 49 51 1 0 51 52 1 0 26 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 61 63 1 0 61 64 1 0 10 65 1 0 65 6 1 0 51 41 2 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 7 77 1 0 9 78 1 0 9 79 1 0 9 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 22103 1 0 22104 1 0 26105 1 0 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 48138 1 0 50139 1 0 50140 1 0 50141 1 0 52142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 57147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 62152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 63157 1 0 64158 1 0 64159 1 0 64160 1 0 M CHG 1 61 1 M END