Mol:LBGPxpkk:CPYCT0008:16402BC01:16402BC01
77 72 0 0 0 0 0 0 0 0999 V2000 -3.1183 2.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 2.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2437 2.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2437 1.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 1.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 1.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5412 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5412 1.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2271 2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8313 2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2437 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 1.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2437 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -0.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 1.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 -0.0314 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2189 -0.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 0.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 -0.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0674 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1902 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1902 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3887 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0968 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4803 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7639 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -0.0314 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -0.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 -1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 -0.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4647 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9438 2.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9438 1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7112 1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0015 1.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0015 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7652 -2.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -2.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0655 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2609 -0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4546 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9806 0.2877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9806 -0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 -0.6289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7652 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7652 -2.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8448 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 5 6 1 0 7 8 1 0 9 10 1 0 11 12 1 0 12 13 1 0 5 13 1 0 5 14 2 0 14 15 1 0 15 16 1 0 7 16 1 0 7 17 2 0 17 18 1 0 18 19 1 0 9 19 1 0 9 20 2 0 1 20 1 0 2 3 1 0 21 22 1 1 21 23 1 0 24 26 1 0 26 27 1 0 26 28 2 0 26 29 1 0 31 32 1 0 33 34 1 0 35 36 1 0 37 38 1 0 38 39 1 0 31 39 1 0 31 40 2 0 40 41 1 0 41 42 1 0 33 42 1 0 33 43 2 0 43 44 1 0 44 45 1 0 35 45 1 0 35 46 2 0 25 30 1 0 47 48 2 0 47 49 1 0 27 47 1 0 21 25 1 1 23 24 1 0 30 46 1 0 47 51 1 0 50 52 1 0 51 52 1 0 53 54 2 0 54 55 1 0 54 56 1 0 57 58 2 0 58 59 1 0 58 60 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 61 65 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 2 0 70 71 1 0 66 71 1 0 61 72 1 0 62 73 1 0 63 68 1 0 67 74 2 0 71 75 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 2 48 49 M SMT 1 OCH2 M SBV 1 48 -0.8792 0.0000 M SBV 1 49 0.0034 -0.5723 S SKP 5 ID LBGPxpkk:CPYCT0008:16402BC01:16402BC01:01 FORMULA C58H111N3O13P2 EXACTMASS 1119.759213673 AVERAGEMASS 1120.4618819999998 SMILES C(=CCCC(C)=CCOCC)(CCC=C(C)CCC)C M END
