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Text File | 1993-05-13 | 3.8 KB | 160 lines | [TEXT/MOLE] |
- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- SF
- ; Definitions
- C = 28.245126, 11.298048(0.500000, 0.500000, 0.500000)
- H = 17.088317, 6.835319(1.000000, 1.000000, 1.000000)
- N = 25.044003, 10.017602(0.000000, 0.000000, 1.000000)
- O = 25.044003, 10.544845(1.000000, 0.000000, 0.000000)
- ; Instances
- N1 : -155.812892 -8.218501 -1.350845
- C2 : -133.893513 7.514725 2.679123
- C3 : -110.499902 -8.180288 -3.236812
- O5 : -108.990587 -29.381220 4.927058
- H7 : -152.426211 -25.823821 5.582268
- N8 : -89.761559 5.831322 -9.410381
- C9 : -66.568469 -7.242519 -15.358688
- C10 : -44.858381 7.205005 -3.171518
- O12 : -44.120628 29.876892 -5.135295
- H14 : -92.776046 23.000956 -17.511888
- N15 : -23.804814 -7.068434 1.005291
- C16 : -2.120863 4.847064 12.497653
- C17 : 21.448288 -4.765455 -0.940124
- O19 : 23.555214 -27.052077 -5.090669
- H21 : -26.312298 -25.911439 3.852141
- N22 : 41.764089 10.985600 0.966360
- C23 : 65.079830 3.615974 -11.129523
- C24 : 86.751564 10.165044 6.647071
- O26 : 86.993850 30.528376 16.830024
- H28 : 38.232798 29.764357 3.068758
- N29 : 108.175501 -3.580017 2.569675
- C30 : 129.857122 1.176701 18.427208
- C31 : 153.318664 0.681754 1.760078
- O33 : 155.779225 -16.076414 -13.457123
- H35 : 106.107472 -21.193217 -4.844110
- N36 : 155.812892 -73.729095 -45.793288
- C37 : 135.728979 -89.722592 -36.569463
- C38 : 111.692076 -73.936359 -35.298698
- O40 : 112.570426 -53.074002 -26.221427
- H42 : 154.530979 -56.422233 -37.528048
- N43 : 89.982084 -87.810189 -36.141345
- C44 : 66.115379 -74.640828 -35.057152
- C45 : 48.455720 -89.662708 -17.996509
- O47 : 47.091297 -112.245737 -20.557860
- H49 : 90.590726 -104.638667 -45.412247
- N50 : 29.405018 -75.673278 -7.710785
- C51 : 11.595271 -88.138142 8.772150
- C52 : -14.686389 -78.140986 2.623125
- O54 : -17.722689 -55.722578 0.062745
- H56 : 32.692060 -56.940815 -4.928508
- N57 : -33.804005 -94.061945 9.368645
- C58 : -59.489216 -86.356326 4.354774
- C59 : -75.551416 -93.700835 27.084174
- O61 : -73.126934 -114.442322 36.157724
- H63 : -29.934610 -112.888642 9.707668
- N64 : -97.203698 -79.923395 29.512730
- C65 : -113.787181 -85.403035 50.468447
- C66 : -140.891196 -84.391581 40.833548
- O68 : -147.303665 -67.073027 27.514327
- H70 : -97.133519 -62.026895 22.500156
- N71 : 149.199873 93.202966 55.293528
- C72 : 127.381562 77.487199 50.688055
- C73 : 107.238524 93.743694 38.095315
- O75 : 102.821230 114.442322 46.489398
- H77 : 143.473586 110.404159 61.682077
- N78 : 89.986503 80.334286 24.417869
- C79 : 70.070086 93.974118 11.708877
- C80 : 45.658283 79.059917 14.905203
- O82 : 45.867321 56.551574 11.477978
- H84 : 95.756112 63.640553 16.831779
- N85 : 24.294140 93.279710 12.496809
- C86 : 0.117300 80.933607 15.198900
- C87 : -17.567270 91.562589 -4.869982
- O89 : -18.365401 114.075283 -8.171688
- H91 : 25.487937 111.895798 17.130057
- N92 : -37.154783 75.937334 -10.923324
- C93 : -55.034756 84.245896 -29.778558
- C94 : -81.394905 76.886982 -20.859441
- O96 : -84.879034 55.963675 -12.583413
- H98 : -34.356416 57.031977 -8.852475
- N99 : -100.291796 91.068546 -31.170966
- C100 : -126.026441 85.611738 -23.950716
- C101 : -142.416286 87.328200 -47.549631
- O103 : -139.722341 104.976723 -61.682077
- H105 : -96.005404 109.064932 -36.388504
- ; Bonds
- N1, C2
- N1, H7
- C2, C3
- C3, O5
- C3, N8
- N8, C9
- N8, H14
- C9, C10
- C10, O12
- C10, N15
- N15, C16
- N15, H21
- C16, C17
- C17, O19
- C17, N22
- N22, C23
- N22, H28
- C23, C24
- C24, O26
- C24, N29
- N29, C30
- N29, H35
- C30, C31
- C31, O33
- N36, C37
- N36, H42
- C37, C38
- C38, O40
- C38, N43
- N43, C44
- N43, H49
- C44, C45
- C45, O47
- C45, N50
- N50, C51
- N50, H56
- C51, C52
- C52, O54
- C52, N57
- N57, C58
- N57, H63
- C58, C59
- C59, O61
- C59, N64
- N64, C65
- N64, H70
- C65, C66
- C66, O68
- N71, C72
- N71, H77
- C72, C73
- C73, O75
- C73, N78
- N78, C79
- N78, H84
- C79, C80
- C80, O82
- C80, N85
- N85, C86
- N85, H91
- C86, C87
- C87, O89
- C87, N92
- N92, C93
- N92, H98
- C93, C94
- C94, O96
- C94, N99
- N99, C100
- N99, H105
- C100, C101
- C101, O103
- ••Beta-sheet
- ••The side chains have been omitted. Each surface of the sheet would be "coated" by the side chains.