Mol:LBGPGpck:p:18000SC01:18117SC01
162101 0 0 0 0 0 0 0 0999 V2000
-8.2418 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2418 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2418 1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 3.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 1.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 -0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4332 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4332 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4332 -3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6082 -2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6082 -1.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6082 -3.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1793 1.7976 0.0000 O 0 0 0 0 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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8793 -3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 -4.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -4.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -4.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8793 -4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -4.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8793 -4.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3707 -3.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -3.3371 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -4.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 -3.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5457 -4.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9418 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1168 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2918 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7832 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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2.4832 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7832 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 1.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 1.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 1.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 0.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 0.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 0.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 1.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 1.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 0.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 0.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 0.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4813 0.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 -3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5457 -2.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7207 -2.6226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4832 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8332 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7668 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5918 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4168 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 -1.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -3.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -4.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 2 4 1 0 1 5 1 0 6 5 1 0 3 7 1 0 9 10 1 0 12 13 1 0 12 14 1 0 11 15 1 0 16 15 1 0 16 17 1 0 13 18 1 0 10 16 1 0 11 12 1 0 1 2 1 0 6 19 2 0 4 20 1 0 20 60 1 0 20 21 2 0 22 23 3 0 23 24 1 0 24 25 3 0 25 26 1 0 26 27 3 0 27 28 1 0 28 29 3 0 29 30 1 0 30 31 3 0 31 32 1 0 32 33 3 0 33 34 1 0 34 35 3 0 35 36 1 0 36 37 3 0 37 38 1 0 14 54 1 0 22 54 1 0 54 55 2 0 18 56 1 0 56129 1 0 56 57 2 0 56 58 1 0 58 59 1 0 60 61 3 0 61 62 1 0 62 63 3 0 63 64 1 0 64 65 3 0 65 66 1 0 66 67 3 0 67 68 1 0 68 69 3 0 69 70 1 0 70 71 3 0 71 72 1 0 72 73 3 0 73 74 1 0 74 75 3 0 75 76 1 0 7 92 1 0 8 92 1 0 92 93 2 0 92 94 1 0 94 95 1 0 19 96 1 0 96 97 3 0 97 98 1 0 98 99 3 0 99100 1 0
100101 3 0 101102 1 0 102103 3 0 103104 1 0 104105 3 0 105106 1 0 106107 3 0 107108 1 0 108109 3 0 109110 1 0 110111 3 0
8127 1 0 9127 1 0
127128 1 0 129130 1 0 130131 1 0
17132 1 0
132133 3 0 133134 1 0 134135 3 0 135136 1 0 136137 3 0 137138 1 0 138139 3 0 139140 1 0 140141 3 0 141142 1 0 142143 3 0 143144 1 0 144145 3 0 145146 1 0 146147 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 2 17 18 M SMT 1 CO M SBV 1 17 -0.8250 0.0000 M SBV 1 18 -0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 M SAL 2 15 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 M SAL 2 2 52 53 M SBL 2 1 37 M SMT 2 C17H33 M SBV 2 37 -0.8250 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 54 55 M SBL 3 2 36 37 M SMT 3 CO M SBV 3 36 -0.8250 0.0000 M SBV 3 37 0.8250 0.0000 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 56 57 58 59 M SBL 4 2 39 40 M SMT 4 PO3H M SBV 4 39 -0.8250 0.0000 M SBV 4 40 -0.8250 0.0000 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 15 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 M SAL 5 15 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 M SAL 5 2 90 91 M SBL 5 1 18 M SMT 5 C17H33 M SBV 5 18 -0.8250 0.0000 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 4 92 93 94 95 M SBL 6 2 60 61 M SMT 6 PO3H M SBV 6 60 -0.8250 0.0000 M SBV 6 61 0.8250 0.0000 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 15 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 M SAL 7 15 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 M SAL 7 1 126 M SBL 7 1 65 M SMT 7 C16H31 M SBV 7 65 -0.8250 0.0000 M STY 1 8 SUP M SLB 1 8 8 M SAL 8 2 127 128 M SBL 8 2 81 82 M SMT 8 CHOH M SBV 8 81 0.0000 0.8250 M SBV 8 82 0.0000 -0.8250 M STY 1 9 SUP M SLB 1 9 9 M SAL 9 3 129 130 131 M SBL 9 1 40 M SMT 9 CH2CH2NH2 M SBV 9 40 -0.8250 0.0000 M STY 1 10 SUP M SLB 1 10 10 M SAL 10 15 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 M SAL 10 15 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 M SAL 10 1 162 M SBL 10 1 86 M SMT 10 C16H31 M SBV 10 86 -0.8250 0.0000 S SKP 5 ID LBGPGpck:ppppppppp:18000SC01:18117SC01:01 FORMULA C83H97NO16P2 EXACTMASS 1425.628259081 AVERAGEMASS 1426.602942 SMILES C(#CC(OC(COC=CC#CC#CC#CC#CC#CC#CC#CC#C)COP(OO)(=O)CC(COC(CC#CC#CC#CC#CC#CC#CC#CC#C)OCC(OC(C#CC#CC#CC#CC#CC#CC#CC#CC)=O)COP(OO)(=O)CCN)O)=O)C#CC#CC#CC#CC#CC#CC#CC M END
