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Peptides
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L-ala-L-ala-L-ala-B&S
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1991-05-01
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77 lines
; Stick colour
2(0.700000, 0.700000, 0.700000)
; Model
BS
; Definitions
C = 49.958328, 19.983331(0.500000, 0.500000, 0.500000)
H = 29.974997, 11.989999(1.000000, 1.000000, 1.000000)
N = 49.958328, 19.983331(0.000000, 0.000000, 1.000000)
O = 46.627773, 19.317220(1.000000, 0.000000, 0.000000)
; Instances
C1 : -80.933537 -7.733326 13.735471
C11 : -120.941690 21.820265 4.125541
C12 : -116.490268 64.948785 29.928471
C2 : 33.922395 5.850046 -19.638323
C21 : -4.044869 -24.985370 -5.950081
C22 : -2.297276 -68.156235 -32.091280
C3 : 151.617230 -2.322376 8.290997
C31 : 111.702162 26.555161 -4.502841
C32 : 112.643961 70.187559 20.914695
H11 : -161.542325 -5.869469 51.211006
H110 : -122.931424 26.634535 -28.984230
H111 : -114.643758 59.914963 62.616729
H112 : -143.632762 82.681119 26.311751
H113 : -90.283252 84.191708 22.012369
H12 : -187.845882 20.458853 14.557731
H13 : -167.286648 -25.045638 4.706056
H2 : -46.843021 13.279627 -34.826958
H210 : -1.370535 -31.935450 24.044373
H211 : -28.767834 -86.800256 -22.760872
H212 : 26.948866 -82.510361 -26.331953
H213 : -0.839253 -60.870806 -60.953151
H3 : 71.206384 -16.285568 25.734369
H310 : 113.484667 30.244313 -36.479400
H311 : 113.063188 64.163693 53.297373
H312 : 83.851807 90.453847 14.158750
H313 : 139.598792 87.826705 13.116579
N1 : -162.349224 -0.734564 18.788800
N2 : -46.082409 -1.774589 -12.836001
N3 : 70.652003 2.220925 4.056016
O1 : -80.967796 -33.605426 45.449866
O2 : 29.923623 30.995583 -51.849242
O3 : 144.121154 -37.833695 29.043809
O4 : 189.072044 12.101798 -1.761341
; Bonds
C1, C11
C1, N2
C1, O1
C11, C12
C11, H110
C11, N1
C12, H111
C12, H112
C12, H113
C2, C21
C2, N3
C2, O2
C21, C22
C21, H210
C21, N2
C22, H211
C22, H212
C22, H213
C3, C31
C3, O3
C3, O4
C31, C32
C31, H310
C31, N3
C32, H311
C32, H312
C32, H313
H11, N1
H12, N1
H13, N1
H2, N2
H3, N3