HMDB0061414 RDKit 3D PC(DiMe(13,5)/MonoMe(11,5)) 160161 0 0 0 0 0 0 0 0999 V2000 -4.8986 -5.8585 -4.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7673 -5.3820 -4.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4155 -3.9156 -4.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2861 -3.4653 -5.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 -2.0613 -5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 -1.8252 -3.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 -0.7936 -3.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -0.9370 -2.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5251 -0.0205 -1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 -2.0397 -1.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 -2.5443 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 -3.5852 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 -4.0369 1.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5159 -3.0610 2.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -3.4497 3.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 -3.3865 4.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9862 -3.9982 3.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1685 -3.8908 4.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 -4.3320 4.2572 C 0 0 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18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 24 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 24101 1 0 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 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