HMDB0061484 RDKit 3D PE(DiMe(11,5)/DiMe(9,5)) 141142 0 0 0 0 0 0 0 0999 V2000 -3.9347 -2.4760 -3.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3301 -1.9180 -4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3336 -0.9711 -5.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6106 0.1762 -4.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6144 1.1333 -4.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8148 2.2626 -4.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7766 2.5121 -3.2166 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5960 3.6252 -2.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4751 4.2178 -1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2279 3.9056 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8047 4.3371 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 4.0466 1.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4132 4.3818 2.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0943 3.8342 2.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 4.0957 0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0944 3.4700 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 3.7353 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 3.1370 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7738 3.7504 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5148 4.8125 0.6175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 3.1856 0.2436 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 3.6569 1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 2.5364 1.0032 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1110 2.7560 2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5508 3.0924 3.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8034 3.2957 4.3825 P 0 0 0 0 0 5 0 0 0 0 0 0 7.0093 4.7995 4.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2189 2.6696 3.7387 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 2.6306 5.8966 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5016 1.6454 5.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 1.1308 7.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8933 2.2142 8.1343 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 2.1955 -0.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1269 1.0564 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 0.3510 -0.2182 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 0.5187 -2.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4019 -0.4760 -2.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 0.2660 -2.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8938 -0.4187 -3.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 -1.2968 -2.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 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11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 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 48 49 1 0 49 50 1 0 50 51 1 0 46 52 2 0 52 53 1 0 52 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 54 44 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 1 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 53130 1 0 53131 1 0 53132 1 0 55133 1 0 55134 1 0 55135 1 0 57136 1 0 57137 1 0 57138 1 0 59139 1 0 59140 1 0 59141 1 0 M END