HMDB0061579 RDKit 3D PS(DiMe(9,3)/DiMe(11,3)) 132133 0 0 0 0 0 0 0 0999 V2000 3.7573 1.7001 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 2.4797 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 2.7810 -0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7581 3.5138 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4181 2.9941 -0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 3.8653 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 3.6730 -0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1033 2.6533 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6793 1.3154 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 0.2413 1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1156 0.4619 1.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8432 -0.6393 2.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5885 -0.5720 3.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -1.6683 4.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -2.9720 3.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 -3.5218 2.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 -4.7761 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 -5.6691 3.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4852 -4.9224 1.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 -6.0051 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 -6.1206 -0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 -4.8050 -1.3705 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -4.4524 -2.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2068 -5.4436 -3.4922 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7073 -3.1307 -3.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 -1.9513 -2.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -1.7530 -1.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9839 -1.7299 -2.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0447 -0.7773 -3.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0555 0.6846 -3.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0514 1.3461 -4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 0.9968 -5.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5223 1.5101 -5.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4024 0.9615 -4.4238 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 1.7469 -4.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5618 1.3670 -3.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4837 1.8481 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4196 3.3401 -1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2068 2.9470 -4.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0594 4.1632 -4.8486 C 0 0 0 0 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55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 4 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 7 66 1 0 7 67 1 0 8 68 1 0 8 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