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macmolecule 1.5
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l-asparagine-b&s.
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Text File
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1991-05-01
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1KB
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45 lines
; Stick colour
2(0.700000, 0.700000, 0.700000)
; Model
BS
; Definitions
C = 78.012954, 31.205182(0.500000, 0.500000, 0.500000)
H = 46.807773, 18.723109(1.000000, 1.000000, 1.000000)
N = 78.012954, 31.205182(0.000000, 0.000000, 1.000000)
O = 72.812091, 30.165009(1.000000, 0.000000, 0.000000)
; Instances
C1 : 85.785981 -56.880107 -14.532900
C2 : 6.011205 -57.351698 -20.128434
C3 : -25.442580 12.175098 -41.100968
C4 : -2.684687 72.174586 4.841616
H10 : -82.107788 9.160993 -40.702896
H3 : -31.154020 -45.073719 82.316507
H4 : 3.535870 -124.073636 66.430780
H5 : -74.872526 -103.629619 35.720669
H6 : -19.175799 175.931387 21.667439
H7 : -64.749650 139.551480 -48.768151
H8 : -7.083849 -95.034510 -61.155851
H9 : -11.033639 24.328124 -94.410126
N1 : -25.655411 -83.636914 45.513432
N2 : -30.923641 133.886041 -9.045906
O1 : 118.008407 -29.835577 -64.818355
O2 : 112.596917 -86.914995 36.028389
O3 : 40.289087 63.075677 52.079321
; Bonds
C1, C2
C1, O1
C1, O2
C2, C3
C2, H8
C2, N1
C3, C4
C3, H10
C3, H9
C4, N2
C4, O3
H3, N1
H4, N1
H5, N1
H6, N2
H7, N2