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D-tryptophan (H+)-B&S
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1991-05-01
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69 lines
; Stick colour
2(0.700000, 0.700000, 0.700000)
; Model
BS
; Definitions
C = 55.240526, 22.096211(0.500000, 0.500000, 0.500000)
H = 33.144316, 13.257726(1.000000, 1.000000, 1.000000)
N = 55.240526, 22.096211(0.000000, 0.000000, 1.000000)
O = 51.557825, 21.359670(1.000000, 0.000000, 0.000000)
; Instances
C1 : -100.041755 41.674513 3.391002
C10 : 127.809077 -69.427953 -24.576990
C11 : 84.100277 -95.202998 -33.595475
C2 : -54.883213 59.148849 32.919341
C3 : -28.122004 18.554065 62.142906
C4 : -9.723295 -24.309519 30.544579
C5 : -35.935165 -62.018083 12.020688
C6 : 41.330106 -76.027284 -12.113339
C7 : 40.615120 -32.835650 14.805653
C8 : 84.235292 -5.952363 23.637288
C9 : 126.430680 -25.727171 1.760439
H1 : -160.715476 4.696438 16.987666
H10 : 160.113560 -86.639854 -44.467560
H11 : 82.963905 -127.633298 -55.230513
H12 : -18.022880 -126.907853 -33.394461
H13 : -73.761039 -66.367665 12.633859
H2 : -64.665034 91.597844 50.448104
H3 : -28.570091 116.094429 -17.046249
H4 : -8.958540 69.437983 -40.096277
H5 : 9.573260 94.521520 14.038598
H6 : -37.990055 12.155103 98.964333
H7 : 2.791226 34.101675 78.855470
H8 : 83.258771 27.994015 43.661967
H9 : 157.234607 -6.503795 6.965453
N1 : -19.841342 82.239016 -3.300594
N2 : -6.559412 -94.102125 -13.968850
O1 : -128.533212 17.021370 34.397339
O2 : -107.019171 49.000202 -37.625340
; Bonds
C1, C2
C1, O1
C1, O2
C2, C3
C2, N1
C3, C4
C4, C5
C5, N2
C4, C7
N2, C6
C6, C7
C6, C11
C7, C8
C8, C9
C9, C10
C10, C11
O1, H1
C2, H2
N1, H3
N1, H4
N1, H5
C3, H6
C3, H7
C8, H8
C9, H9
C10, H10
C11, H11
N2, H12
C5, H13