KEGG:C00992 Aquacob(III)alamin ISISHOST03240423032D 1 1.00000 0.00000 940 92103 0 1 0 999 V2000 0.2621 1.4724 0.0000 Co 0 1 0 0 0 0 0 0 0 -0.3621 2.0655 0.0000 N 0 0 3 0 0 0 0 0 0 -0.3621 0.8172 0.0000 N 0 0 3 0 0 0 0 0 0 0.9069 2.0448 0.0000 N 0 0 3 0 0 0 0 0 0 0.9000 0.8310 0.0000 N 0 0 3 0 0 0 0 0 0 0.8931 -2.5207 0.0000 N 0 0 3 0 0 0 0 0 0 2.3310 1.4724 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9310 1.9724 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2586 2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9310 0.9000 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2621 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0.7862 2.6172 0.0000 C 0 0 0 0 0 0 0 0 0 1.4862 1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0.7897 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 1.4759 0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 1.4345 -2.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0.5586 -2.9862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2000 2.4931 0.0000 C 0 0 2 0 0 0 0 0 0 -1.5000 1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7793 2.9069 0.0000 C 0 0 2 0 0 0 0 0 0 0.2655 2.8310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2000 0.3793 0.0000 C 0 0 1 0 0 0 0 0 0 -0.7793 -0.0241 0.0000 C 0 0 1 0 0 0 0 0 0 0.2655 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 1.2931 2.9069 0.0000 C 0 0 2 0 0 0 0 0 0 1.7241 2.5207 0.0000 C 0 0 2 0 0 0 0 0 0 1.7069 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -0.0172 0.0000 C 0 0 2 0 0 0 0 0 0 1.7276 0.3828 0.0000 C 0 0 3 0 0 0 0 0 0 1.4379 -3.2655 0.0000 C 0 0 0 0 0 0 0 0 0 1.9345 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0.8931 -3.4483 0.0000 N 0 0 3 0 0 0 0 0 0 -1.7793 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3552 3.0586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7690 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0.2621 3.4207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8345 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7828 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2207 -0.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0.2621 -0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 1.2897 3.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0.7241 3.0586 0.0000 C 0 0 0 0 0 0 0 0 0 2.3069 2.5207 0.0000 C 0 0 0 0 0 0 0 0 0 1.3586 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2862 0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 1.9414 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 1.9345 -3.5552 0.0000 C 0 0 0 0 0 0 0 0 0 2.4310 -2.6931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1414 -4.9000 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0690 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2690 3.7793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0414 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2966 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7897 3.7897 0.0000 C 0 0 0 0 0 0 0 0 0 2.5931 3.0310 0.0000 C 0 0 0 0 0 0 0 0 0 1.8862 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 2.4310 -3.2655 0.0000 C 0 0 0 0 0 0 0 0 0 2.9241 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3138 -4.3483 0.0000 C 0 0 3 0 0 0 0 0 0 -1.6379 -5.1759 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6448 3.0069 0.0000 N 0 0 0 0 0 0 0 0 0 -1.7690 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2621 4.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6138 -0.2517 0.0000 N 0 0 0 0 0 0 0 0 0 -1.6759 -0.6034 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2966 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 1.7897 4.3655 0.0000 N 0 0 0 0 0 0 0 0 0 2.2966 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 3.1759 3.0345 0.0000 C 0 0 0 0 0 0 0 0 0 1.9448 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 2.9241 -3.5552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8862 -4.3414 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9724 -3.8897 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0690 -4.8862 0.0000 C 0 0 2 0 0 0 0 0 0 -1.7621 4.6586 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7552 4.6414 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8000 -1.7724 0.0000 N 0 0 0 0 0 0 0 0 0 -0.7966 -1.7793 0.0000 O 0 0 0 0 0 0 0 0 0 3.4655 3.5379 0.0000 N 0 0 0 0 0 0 0 0 0 3.4724 2.5276 0.0000 O 0 0 0 0 0 0 0 0 0 1.4690 -1.7517 0.0000 N 0 0 0 0 0 0 0 0 0 2.4793 -1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2172 -3.8793 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6517 -5.0793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8000 -2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8552 -3.5931 0.0000 P 0 0 3 0 0 0 0 0 0 -2.7345 -5.4690 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3241 -2.6793 0.0000 C 0 0 3 0 0 0 0 0 0 -2.3241 -3.2828 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3931 -3.2828 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2931 -4.0276 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8448 -2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 2 8 1 0 0 0 2 9 2 0 0 0 3 10 1 0 0 0 3 11 1 0 0 0 4 12 1 0 0 0 4 13 2 0 0 0 5 14 2 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 6 17 2 0 0 0 8 18 1 0 0 0 8 19 1 6 0 0 9 20 1 0 0 0 9 21 1 0 0 0 10 22 1 0 0 0 11 23 1 0 0 0 11 24 2 0 0 0 12 25 1 0 0 0 13 26 1 0 0 0 13 27 1 0 0 0 14 28 1 0 0 0 15 29 1 0 0 0 16 30 2 0 0 0 16 31 1 0 0 0 17 32 1 0 0 0 18 33 1 1 0 0 18 34 1 6 0 0 20 35 1 6 0 0 21 36 1 0 0 0 22 37 1 1 0 0 23 38 1 6 0 0 23 39 1 1 0 0 24 40 1 0 0 0 25 41 1 1 0 0 25 42 1 6 0 0 26 43 1 6 0 0 28 44 1 6 0 0 29 45 1 0 0 0 29 46 1 0 0 0 30 47 1 0 0 0 31 48 2 0 0 0 32 49 1 0 0 0 33 50 1 0 0 0 35 51 1 0 0 0 37 52 1 0 0 0 38 53 1 0 0 0 41 54 1 0 0 0 43 55 1 0 0 0 44 56 1 0 0 0 47 57 2 0 0 0 48 58 1 0 0 0 49 59 1 0 0 0 49 60 1 1 0 0 50 61 1 0 0 0 50 62 2 0 0 0 51 63 1 0 0 0 52 64 1 0 0 0 52 65 2 0 0 0 53 66 1 0 0 0 54 67 1 0 0 0 54 68 2 0 0 0 55 69 1 0 0 0 56 70 1 0 0 0 57 71 1 0 0 0 59 72 1 0 0 0 59 73 1 0 0 0 74 60 1 1 0 0 63 75 1 0 0 0 63 76 2 0 0 0 66 77 1 0 0 0 66 78 2 0 0 0 69 79 1 0 0 0 69 80 2 0 0 0 70 81 1 0 0 0 70 82 2 0 0 0 72 83 1 0 0 0 74 84 1 0 0 0 77 85 1 0 0 0 83 86 1 0 0 0 84 87 1 0 0 0 85 88 1 0 0 0 86 89 1 0 0 0 86 90 1 0 0 0 86 91 2 0 0 0 88 92 1 0 0 0 8 10 1 0 0 0 12 21 2 0 0 0 14 24 1 0 0 0 15 27 2 0 0 0 18 20 1 0 0 0 22 23 1 0 0 0 25 26 1 0 0 0 28 29 1 0 0 0 30 32 1 0 0 0 48 57 1 0 0 0 72 74 1 0 0 0 88 89 1 0 0 0 M CHG 1 1 3 M END