Mol:LBGPxckp:R:YS1CA0002:p 2
39 39 0 0 0 0 0 0 0 0999 V2000 -1.2575 -5.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 -6.3796 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 -5.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 -7.2044 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3482 -6.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2157 -6.3796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 -5.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5144 -6.5520 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 -7.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4754 -7.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2575 -6.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -6.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -6.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -5.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2575 -4.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -4.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -2.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7969 -2.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5144 7.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 6.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2124 6.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 5.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9105 5.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1961 4.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6086 3.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8941 3.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3066 2.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5922 2.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0047 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2902 1.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0988 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3844 -2.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 -4.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 -5.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 2 4 1 0 2 5 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 6 10 1 0 1 11 1 0 2 12 1 0 11 12 1 0 5 13 1 0 6 14 1 0 13 14 1 0 1 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 37 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 1 39 1 0 38 39 1 0
M CHG 1 4 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 11 12 M SBL 1 2 9 10 M SMT 1 CH2O M SBV 1 9 0.0000 1.1450 M SBV 1 10 2.6056 -0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 13 14 M SBL 2 2 12 13 M SMT 2 CH2CH2 M SBV 2 12 -0.8248 0.0000 M SBV 2 13 2.0427 -0.8249 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 15 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 M SAL 3 8 30 31 32 33 34 35 36 37 M SBL 3 1 15 M SMT 3 CH2OCONHC18H37 M SBV 3 15 0.0000 -1.2031 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 38 39 M SBL 4 1 38 M SMT 4 ^OH3C M SBV 4 38 0.6422 0.0000 S SKP 5 ID LBGPxckp:R:YS1CA0002:ppppppppp:02 FORMULA C28H53N2O7PS EXACTMASS 592.3311092600001 AVERAGEMASS 592.769461 SMILES O(C(COC(=O)NCCCCCCCCCCCCCCCCCC)COP([O-1])(=O)OCCn(c1)csc1)C M END
