Mol:LBGPGpcc:p:18000SC01:18000SC01
163102 0 0 0 0 0 0 0 0999 V2000
-8.2418 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2418 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2418 1.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 2.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 2.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 1.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 1.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 -1.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4332 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4332 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4332 -3.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6082 -2.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6082 -2.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6082 -3.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9418 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1168 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2918 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7832 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9418 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1168 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2918 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7832 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1793 2.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1793 1.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3707 -3.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 0.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4813 0.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 1.2746 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 0.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7668 1.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3543 0.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4832 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8332 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7668 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5918 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4168 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 -2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 -4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8793 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 -5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8793 -4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8793 -5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -3.7496 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -4.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 -3.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5457 -4.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 -3.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5457 -3.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7207 -3.0351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4832 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8332 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7668 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5918 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4168 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -4.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -4.5746 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 3 6 1 0 8 9 1 0 11 12 1 0 11 13 1 0 10 14 1 0 15 14 1 0 15 16 1 0 12 17 1 0 9 15 1 0 10 11 1 0 1 2 1 0 18 19 3 0 19 20 1 0 20 21 3 0 21 22 1 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 50 51 3 0 51 52 1 0 52 53 3 0 53 54 1 0 54 55 3 0 55 56 1 0 56 57 3 0 57 58 1 0 58 59 3 0 59 60 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 5 82 1 0 50 82 1 0 82 83 2 0 4 84 1 0 18 84 1 0 84 85 2 0 13 86 1 0 86 94 1 0 86 87 2 0 7 88 1 0 8 88 1 0 88 89 1 0 6 90 1 0 7 90 1 0 90 91 2 0 90 92 1 0 92 93 1 0 94 95 3 0 95 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
17126 1 0
126130 1 0 126127 2 0 126128 1 0 128129 1 0 130131 1 0 131132 1 0
16133 1 0
133134 3 0 134135 1 0 135136 3 0 136137 1 0 137138 3 0 138139 1 0 139140 3 0 140141 1 0 141142 3 0 142143 1 0 143144 3 0 144145 1 0 145146 3 0 146147 1 0 147148 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 M SAL 1 15 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 M SAL 1 2 48 49 M SBL 1 1 51 M SMT 1 C17H33 M SBV 1 51 -0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 15 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 M SAL 2 15 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 M SAL 2 2 80 81 M SBL 2 1 48 M SMT 2 C17H33 M SBV 2 48 -0.8250 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 82 83 M SBL 3 2 47 48 M SMT 3 CO M SBV 3 47 -0.8250 0.0000 M SBV 3 48 0.8250 0.0000 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 84 85 M SBL 4 2 50 51 M SMT 4 CO M SBV 4 50 -0.8250 0.0000 M SBV 4 51 0.8250 0.0000 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 86 87 M SBL 5 2 53 54 M SMT 5 CO M SBV 5 53 -0.8250 0.0000 M SBV 5 54 -0.8250 0.0000 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 2 88 89 M SBL 6 2 56 57 M SMT 6 CHOH M SBV 6 56 0.0000 0.8250 M SBV 6 57 0.0000 -0.8250 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 4 90 91 92 93 M SBL 7 2 59 60 M SMT 7 PO3H M SBV 7 59 -0.8250 0.0000 M SBV 7 60 0.8250 0.0000 M STY 1 8 SUP M SLB 1 8 8 M SAL 8 15 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 M SAL 8 15 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 M SAL 8 2 124 125 M SBL 8 1 54 M SMT 8 C17H33 M SBV 8 54 -0.8250 0.0000 M STY 1 9 SUP M SLB 1 9 9 M SAL 9 4 126 127 128 129 M SBL 9 2 80 81 M SMT 9 PO3H M SBV 9 80 -0.8250 0.0000 M SBV 9 81 -0.8250 0.0000 M STY 1 10 SUP M SLB 1 10 10 M SAL 10 3 130 131 132 M SBL 10 1 81 M SMT 10 CH2CH2NH2 M SBV 10 81 -0.8250 0.0000 M STY 1 11 SUP M SLB 1 11 11 M SAL 11 15 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 M SAL 11 15 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 M SAL 11 1 163 M SBL 11 1 87 M SMT 11 C16H31 M SBV 11 87 -0.8250 0.0000 S SKP 5 ID LBGPGpcc:ppppppppp:18000SC01:18000SC01:01 FORMULA C83H97NO17P2 EXACTMASS 1441.623173703 AVERAGEMASS 1442.6023420000001 SMILES C(OCC(COP(OO)(=O)CCN)OC(=O)C#CC#CC#CC#CC#CC#CC#CC#CC)(OCC(CP(OO)(=O)OCC(COC(=O)C#CC#CC#CC#CC#CC#CC#CC#CC)OC(=O)C#CC#CC#CC#CC#CC#CC#CC#CC)O)CC#CC#CC#CC#CC#CC#CC#CC#C M END
