Mol:LBGPGpcc:p:R:R
42 41 0 0 0 0 0 0 0 0999 V2000 -2.0687 3.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 2.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2712 2.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 2.9510 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 -1.2437 3.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2712 2.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 -0.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -1.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -2.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -2.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 -2.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -2.0155 0.0000 R4 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 -1.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 -1.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -1.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0412 -1.1905 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 -2.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 -2.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 -4.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -4.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 3.7760 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 -2.8405 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 -3.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -2.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6287 -3.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 3.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 4.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 2.1260 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 1.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 2.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 1.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 -3.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 -4.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 0.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 -2.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8037 -2.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 2.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 2.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 2 4 1 0 1 6 1 0 3 7 1 0 9 10 1 0 11 12 1 0 12 13 1 0 12 14 1 0 11 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 13 20 1 0 22 23 1 0 10 17 1 0 1 2 1 0 20 25 1 0 21 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 24 29 1 0 6 29 1 0 29 30 2 0 7 31 1 0 8 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 21 35 1 0 22 35 1 0 35 36 1 0 8 37 1 0 9 37 1 0 37 38 1 0 14 39 1 0 15 39 1 0 39 40 2 0 4 41 1 0 5 41 1 0 41 42 2 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 2 17 18 M SMT 1 PO3H M SBV 1 17 -0.8250 0.0000 M SBV 1 18 0.8800 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 2 22 23 M SMT 2 CO M SBV 2 22 0.8250 0.0000 M SBV 2 23 -0.8099 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 31 32 33 34 M SBL 3 2 25 26 M SMT 3 PO3H M SBV 3 25 -0.8250 0.0000 M SBV 3 26 0.8250 0.0000 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 35 36 M SBL 4 2 30 31 M SMT 4 CHOH M SBV 4 30 0.0000 0.8250 M SBV 4 31 0.0000 -0.8250 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 37 38 M SBL 5 2 33 34 M SMT 5 CHOH M SBV 5 33 0.0000 0.8250 M SBV 5 34 0.0000 -0.8250 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 2 39 40 M SBL 6 2 36 37 M SMT 6 CO M SBV 6 36 -0.8250 0.0000 M SBV 6 37 0.8250 0.0000 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 2 41 42 M SBL 7 2 39 40 M SMT 7 CO M SBV 7 39 -0.8250 0.0000 M SBV 7 40 0.8250 0.0000 S SKP 5 ID LBGPGpcc:ppppppppp:R:R:01 FORMULA EXACTMASS AVERAGEMASS SMILES M END
