HMDB0061504 RDKit 3D PE(DiMe(9,3)/MonoMe(11,5)) 132133 0 0 0 0 0 0 0 0999 V2000 14.8336 1.7277 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1303 0.5002 -1.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 -0.0310 -2.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 -0.5267 -1.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1112 0.5140 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8246 -0.0712 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3946 -1.3317 -0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1944 -1.4503 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4252 -2.7180 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9523 -0.2981 0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9069 0.2385 1.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7897 0.9821 0.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 0.6426 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5827 -0.2662 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 -1.7024 0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0406 -2.5421 -0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 -3.0439 -1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 -2.1651 -1.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 -1.7623 -1.0317 C 0 0 0 0 0 0 0 0 0 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2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 10 56 1 0 56 6 1 0 45 37 2 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 7 68 1 0 9 69 1 0 9 70 1 0 9 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 1 25 93 1 0 25 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 44118 1 0 44119 1 0 44120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 51126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 M END