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a-D-Glucopyranose-B&S
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Text File
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1991-05-01
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1KB
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59 lines
; Stick colour
2(0.700000, 0.700000, 0.700000)
; Model
BS
; Definitions
C = 62.979862, 25.191945(0.500000, 0.500000, 0.500000)
H = 37.787917, 15.115167(1.000000, 1.000000, 1.000000)
O = 58.781205, 24.352213(1.000000, 0.000000, 0.000000)
; Instances
C1 : 77.281539 -56.295600 8.363726
C2 : 37.929202 -67.911605 57.558976
C3 : -22.756934 -73.788886 38.811550
C4 : -39.639315 -24.615469 2.407090
C5 : 2.092401 -17.963536 -45.911900
C6 : -9.728919 30.692186 -85.002241
O7 : 55.678187 -118.122930 84.549625
O8 : -57.948401 -75.203414 87.576018
O9 : -93.908223 -32.806630 -20.809386
O10 : 56.600632 -8.511099 -21.817484
O11 : -9.870414 82.847910 -56.206168
H12 : 80.462442 -111.761544 122.493313
H13 : -72.669734 -118.527681 88.436323
H14 : -125.090812 -11.705437 5.207595
H15 : 15.104041 120.199167 -64.902008
O16 : 83.730677 -101.335858 -30.294993
H17 : 125.090812 -120.199167 -25.009303
H18 : 1.325306 -54.358759 -71.139533
H19 : 6.372512 40.171915 -122.493313
H20 : -49.734567 25.131484 -102.804968
H21 : 119.637596 -48.985737 24.080560
H22 : -27.157127 -112.632346 15.013559
H23 : -39.787528 12.801707 28.759124
H24 : 41.617723 -32.691587 86.549026
; Bonds
O9, H14
C4, O9
C4, C5
C3, C4
C3, O8
O8, H13
C2, C3
C2, O7
O7, H12
C1, C2
C1, O16
C1, O10
C5, O10
C5, C6
C6, H19
C6, H20
C6, O11
O11, H15
C5, H18
O16, H17
C1, H21
C3, H22
C4, H23
C2, H24