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2(L-ala-L-ala-L-ala)-B&S
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Text File
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1991-05-01
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152 lines
; Stick colour
2(0.700000, 0.700000, 0.700000)
; Model
BS
; Definitions
C = 23.178805, 9.271522(0.500000, 0.500000, 0.500000)
H = 13.907283, 5.562913(1.000000, 1.000000, 1.000000)
N = 23.178805, 9.271522(0.000000, 0.000000, 1.000000)
O = 21.633551, 8.962471(1.000000, 0.000000, 0.000000)
; Instances
C1 : -119.158441 -2.091480 23.238747
C188 : 69.249659 6.003086 -8.841868
C11 : -139.866436 3.655535 13.720260
C12 : -138.439297 25.059268 4.348531
C13 : 47.987452 13.815446 -15.162144
C14 : 48.369799 36.740832 -20.043174
C2 : -70.665433 -13.921415 -1.814458
C288 : 118.761809 1.890795 -35.627311
C21 : -84.858758 -16.328700 16.842052
C22 : -83.503492 -38.043138 25.536490
C23 : 103.591868 -4.513677 -18.902862
C24 : 103.552762 -27.798177 -16.507624
C3 : -14.629138 -9.119029 -2.804122
C388 : 175.326581 3.200481 -31.790882
C31 : -35.508692 -4.743222 -12.933161
C32 : -35.732684 16.755429 -22.251449
C33 : 155.474596 8.545604 -43.149165
C34 : 156.440180 30.933914 -49.999724
H11 : -152.767312 14.583931 40.389832
H110 : -143.719763 -7.237542 3.312763
H111 : -134.671099 35.739114 14.738033
H112 : -152.112432 29.392670 -0.484168
H113 : -128.393605 26.723473 -7.371376
H12 : -169.240147 9.020598 23.506695
H13 : -157.916559 -7.823955 35.575246
H2 : -108.912325 -15.236514 -0.742386
H21 : 41.014806 4.326975 13.344457
H210 : -80.813682 -7.202597 27.135388
H211 : -93.591988 -39.009255 37.439649
H212 : -68.914170 -40.704049 29.496939
H213 : -85.607253 -46.771743 15.020635
H22 : 22.748468 2.876510 -2.380579
H23 : 28.182600 22.178194 7.047233
H24 : 43.279615 5.776789 -27.203362
H25 : 53.368709 43.243566 -8.274299
H26 : 34.188379 42.590437 -22.996661
H27 : 57.773241 38.990341 -31.615998
H28 : 80.240336 5.077760 -35.952641
H29 : 107.706035 2.247281 -5.784011
H3 : -48.779673 -4.268291 14.789592
H30 : 93.314008 -32.673107 -6.072857
H31 : 117.457632 -32.926448 -13.380128
H310 : -37.493706 -15.633348 -22.992158
H311 : -32.574255 27.087398 -11.441496
H312 : -50.560750 20.672822 -28.691132
H313 : -25.240074 17.997893 -33.424135
H314 : 21.049120 -26.965378 39.246715
H32 : 100.092766 -34.114043 -30.029112
H33 : 140.896635 2.798177 -16.051772
H34 : 154.830884 -1.792827 -54.854775
H35 : 159.020572 40.595972 -38.306786
H36 : 142.139267 34.443282 -56.595553
H37 : 168.580804 34.533908 -60.515170
H38 : -166.461332 -31.352658 64.773884
N1 : -156.049662 4.001716 29.933177
N188 : 33.369617 9.564853 2.059451
N2 : -105.876261 -11.272620 10.574853
N288 : 82.997356 3.193726 -23.741793
N3 : -51.910051 -7.164973 2.269072
N388 : 138.089836 4.627067 -29.222498
O1 : -115.035679 2.503095 41.196814
O188 : 73.176420 2.691412 9.512196
O11 : 11.629049 -37.203067 34.652850
O12 : -177.809931 -22.550753 58.420543
O2 : -76.609405 -18.788745 -19.246407
O288 : 113.399059 3.432955 -53.837220
O3 : -14.170229 -11.054362 16.491074
O388 : 176.007019 8.415870 -13.091700
O4 : 0.635223 -9.897913 -14.419355
O488 : 189.591920 -4.607619 -41.544068
H3140 : 2.732231 -28.673778 26.731395
H380 : -189.677796 -32.372857 55.369444
; Bonds
C1, C11
C1, N2
C1, O1
C188, C13
C188, N288
C188, O188
C11, C12
C11, H110
C11, N1
C12, H111
C12, H112
C12, H113
C13, C14
C13, H24
C13, N188
C14, H25
C14, H26
C14, H27
C2, C21
C2, N3
C2, O2
C288, C23
C288, N388
C288, O288
C21, C22
C21, H210
C21, N2
C22, H211
C22, H212
C22, H213
C23, C24
C23, H29
C23, N288
C24, H30
C24, H31
C24, H32
C3, C31
C3, O3
C3, O4
C388, C33
C388, O388
C388, O488
C31, C32
C31, H310
C31, N3
C32, H311
C32, H312
C32, H313
C33, C34
C33, H34
C33, N388
C34, H35
C34, H36
C34, H37
H11, N1
H12, N1
H13, N1
H2, N2
H21, N188
H22, N188
H23, N188
H28, N288
H3, N3
H314, O11
H33, N388
H38, O12
O11, H3140
O12, H380