Mol:LBGACG0N02
Copyright: ARM project http://www.metabolome.jp/
103102 0 0 0 0 0 0 0 0999 V2000
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0 -3.5381 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8237 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0071 1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1495 1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3964 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5390 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6812 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8237 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7437 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 0.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7939 0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3751 -0.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5389 1.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5681 0.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3155 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6010 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1724 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 -1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -0.7810 0.0000 C 0 0 0 0 0 0 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0 0 0 0 0 0.8467 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5822 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1717 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2761 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4186 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0055 1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4344 1.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0893 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0893 0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9143 0.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0893 -0.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9143 -0.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 2 5 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 12 1 0 8 11 1 0 13 10 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 43 42 1 0 11 29 1 0 15 44 1 0 19 45 1 0 23 46 1 0 31 47 1 0 35 48 1 0 39 49 1 0 43 50 1 0 51 52 1 0 52 53 1 0 53 54 1 0 52 56 1 0 52 55 1 0 57 54 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 71 70 1 0 74 73 1 0 75 74 1 0 76 75 1 0 77 76 1 0 78 77 1 0 79 78 1 0 80 79 1 0 81 80 1 0 82 81 1 0 83 82 1 0 84 83 1 0 85 84 1 0 86 85 1 0 87 86 1 0 55 73 1 0 59 88 1 0 63 89 1 0 67 90 1 0 71 91 1 0 75 92 1 0 79 93 1 0 83 94 1 0 87 95 1 0 43 72 1 0 28 96 1 0 87 96 1 0 71 97 1 0 51 1 1 0 27 98 1 0 4 99 1 0 99100 1 0
100101 1 0 100102 1 0 102103 1 0 S SKP 6 AUTODRAW FALSE ID LBGACG0N02 FORMULA EXACTMASS AVERAGEMASS SMILES M END
