HMDB0061632 RDKit 3D PS(MonoMe(9,5)/MonoMe(9,5)) 132133 0 0 0 0 0 0 0 0999 V2000 0.3346 4.1910 7.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6521 3.9086 6.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 2.5259 6.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2607 1.4392 6.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0576 1.3979 5.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 1.2178 4.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 1.1257 3.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3259 0.9651 2.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0533 0.8200 0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 0.9715 2.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1074 0.8334 1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 2.1094 0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 1.9780 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4358 3.2713 -1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 3.3011 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 2.2029 -3.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 2.3850 -3.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 1.3234 -4.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 1.5506 -5.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1769 2.1988 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0 56 57 1 0 10 58 1 0 58 6 1 0 56 47 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 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 7 70 1 0 9 71 1 0 9 72 1 0 9 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 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 22 90 1 0 22 91 1 0 23 92 1 0 24 93 1 0 24 94 1 0 28 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 35101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 54128 1 0 55129 1 0 57130 1 0 57131 1 0 57132 1 0 M END