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L-ala-gly-gly-B&S
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1991-05-01
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65 lines
; Stick colour
2(0.700000, 0.700000, 0.700000)
; Model
BS
; Definitions
C = 49.699421, 19.879768(0.500000, 0.500000, 0.500000)
H = 29.819653, 11.927861(1.000000, 1.000000, 1.000000)
N = 49.699421, 19.879768(0.000000, 0.000000, 1.000000)
O = 46.386126, 19.217110(1.000000, 0.000000, 0.000000)
; Instances
N1 : -143.929943 18.879359 -31.275984
C11 : -113.120435 -1.459563 1.283631
C12 : -112.429183 -51.301074 -5.011534
C13 : -67.073368 17.931874 -5.542512
O1 : -56.711577 35.242576 -40.594912
N2 : -39.700373 13.814982 28.763228
C21 : 6.394272 25.792842 24.961828
C22 : 33.962887 -11.552096 4.785362
O2 : 19.547272 -49.168148 0.042965
N3 : 75.250050 -0.091096 -6.405048
C31 : 105.944240 -33.015036 -22.467953
C32 : 148.500274 -13.235910 -40.277500
O319 : 177.718808 -41.021908 -51.856152
O329 : 152.586874 27.426014 -43.720556
H11 : -134.027881 15.245568 -54.876254
H21 : -176.392993 6.908834 -29.644500
H31 : -160.164225 47.001071 -27.197975
H112 : -89.268223 -64.126425 18.039511
H212 : -106.713303 -59.112035 -32.613445
H312 : -151.585491 -61.717613 -2.575918
H1 : -123.660089 4.360230 30.668847
H2 : -46.548740 -0.651043 52.216229
H12 : 17.613678 32.511022 56.161918
H22 : 7.084702 54.405683 9.510056
H3 : 84.549522 26.208358 -4.146358
H13 : 95.627416 -48.722779 -43.726165
H23 : 115.710699 -58.650816 -1.099235
; Bonds
N1, C11
N1, H11
N1, H21
N1, H31
C11, C12
C11, C13
C11, H1
C12, H112
C12, H212
C12, H312
C13, O1
C13, N2
N2, C21
N2, H2
C21, C22
C21, H12
C21, H22
C22, O2
C22, N3
N3, C31
N3, H3
C31, C32
C31, H13
C31, H23
C32, O319
C32, O329