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zCheckHydrogen

PURPOSE ^

This program is generated by zGenerateCheckHydrogen.m

SYNOPSIS ^

function [Hydrogen] = zCheckHydrogen(NT1,NT2,Class)

DESCRIPTION ^

 This program is generated by zGenerateCheckHydrogen.m
 based on the Excel file H_bonding_Atoms_from_Isostericity_Table.xls
 created by Jesse Stombaugh.
 zCheckHydrogen(NT1,NT2,Class) computes the angles and distances in the
 hydrogen bonds between two nucleotides assuming their interaction is Class
 The program calls the base that should be at the origin N1, the other N2

CROSS-REFERENCE INFORMATION ^

This function calls: This function is called by:

SOURCE CODE ^

0001 % This program is generated by zGenerateCheckHydrogen.m
0002 % based on the Excel file H_bonding_Atoms_from_Isostericity_Table.xls
0003 % created by Jesse Stombaugh.
0004 % zCheckHydrogen(NT1,NT2,Class) computes the angles and distances in the
0005 % hydrogen bonds between two nucleotides assuming their interaction is Class
0006 % The program calls the base that should be at the origin N1, the other N2
0007 %
0008 %
0009 function [Hydrogen] = zCheckHydrogen(NT1,NT2,Class)
0010 
0011 Paircode = 4*(NT2.Code-1) + NT1.Code;
0012 switch Paircode
0013   case {2, 3, 4, 8, 10, 12},
0014     N1 = NT2;
0015     N2 = NT1;
0016   otherwise
0017     N1 = NT1;
0018     N2 = NT2;
0019 end
0020 Paircode = 4*(N2.Code-1) + N1.Code;
0021 
0022 if (Class == 1) & (Paircode == 1),
0023   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(4,:));
0024   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(4,:));
0025   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(9,:));
0026   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0027 elseif (Class == 1) & (Paircode == 5),
0028   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(4,:));
0029   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(4,:));
0030   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(3,:),N2.Fit(2,:));
0031   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(3,:));
0032 elseif (Class == 1) & (Paircode == 9),
0033   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(6,:));
0034   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(6,:));
0035   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(12,:),N2.Fit(4,:));
0036   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(12,:));
0037 elseif (Class == 1) & (Paircode == 13),
0038   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(6,:));
0039   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(6,:));
0040   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(4,:));
0041   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0042   Hydrogen(3).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(3,:));
0043   Hydrogen(3).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0044 elseif (Class == -1) & (Paircode == 5),
0045   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(4,:));
0046   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(4,:));
0047   Hydrogen(2).Angle    = [];
0048   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(3,:));
0049 elseif (Class == 1) & (Paircode == 6),
0050   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N2.Fit(13,:),N2.Fit(6,:));
0051   Hydrogen(1).Distance = zDistance(N1.Fit(4,:),N2.Fit(13,:));
0052   Hydrogen(2).Angle    = [];
0053   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(4,:));
0054 elseif (Class == 1) & (Paircode == 7),
0055   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(13,:),N2.Fit(6,:));
0056   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(13,:));
0057   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(4,:));
0058   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(4,:));
0059   Hydrogen(3).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Fit(3,:));
0060   Hydrogen(3).Distance = zDistance(N1.Fit(16,:),N2.Fit(3,:));
0061 elseif (Class == 1) & (Paircode == 14),
0062   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(6,:));
0063   Hydrogen(1).Distance = zDistance(N1.Fit(13,:),N2.Fit(6,:));
0064 elseif (Class == -1) & (Paircode == 9),
0065   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(6,:));
0066   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(6,:));
0067   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(12,:),N2.Fit(4,:));
0068   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(12,:));
0069 elseif (Class == 1) & (Paircode == 7),
0070   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(13,:),N2.Fit(6,:));
0071   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(13,:));
0072   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(4,:));
0073   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(4,:));
0074   Hydrogen(3).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Fit(3,:));
0075   Hydrogen(3).Distance = zDistance(N1.Fit(16,:),N2.Fit(3,:));
0076 elseif (Class == 1) & (Paircode == 15),
0077   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(11,:),N2.Fit(4,:));
0078   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(11,:));
0079   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(3,:));
0080   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0081 elseif (Class == -1) & (Paircode == 13),
0082   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(6,:));
0083   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(6,:));
0084   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(4,:));
0085   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0086   Hydrogen(3).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(3,:));
0087   Hydrogen(3).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0088 elseif (Class == -1) & (Paircode == 14),
0089   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(6,:));
0090   Hydrogen(1).Distance = zDistance(N1.Fit(13,:),N2.Fit(6,:));
0091   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(4,:));
0092   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0093 elseif (Class == -1) & (Paircode == 15),
0094   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(11,:),N2.Fit(4,:));
0095   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(11,:));
0096   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(3,:));
0097   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0098 elseif (Class == 1) & (Paircode == 16),
0099   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(11,:),N2.Fit(4,:));
0100   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(11,:));
0101   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(11,:),N2.Fit(3,:));
0102   Hydrogen(2).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0103 elseif (Class == 2) & (Paircode == 1),
0104   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(4,:));
0105   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(4,:));
0106   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(14,:),N2.Fit(6,:));
0107   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(14,:));
0108 elseif (Class == 2) & (Paircode == 5),
0109   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(4,:));
0110   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(4,:));
0111   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(13,:),N2.Fit(6,:));
0112   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(13,:));
0113 elseif (Class == 2) & (Paircode == 13),
0114   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0115   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0116   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(4,:));
0117   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0118   Hydrogen(3).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(6,:));
0119   Hydrogen(3).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0120 elseif (Class == -2) & (Paircode == 5),
0121   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N2.Fit(13,:),N2.Fit(6,:));
0122   Hydrogen(1).Distance = zDistance(N1.Fit(4,:),N2.Fit(13,:));
0123   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(4,:));
0124   Hydrogen(2).Distance = zDistance(N1.Fit(14,:),N2.Fit(4,:));
0125 elseif (Class == 2) & (Paircode == 6),
0126   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(3,:));
0127   Hydrogen(1).Distance = zDistance(N1.Fit(13,:),N2.Fit(3,:));
0128   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(13,:),N2.Fit(6,:));
0129   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(13,:));
0130 elseif (Class == 2) & (Paircode == 7),
0131   Hydrogen(1).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Fit(4,:));
0132   Hydrogen(1).Distance = zDistance(N1.Fit(16,:),N2.Fit(4,:));
0133   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(3,:));
0134   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0135 elseif (Class == 2) & (Paircode == 14),
0136   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(3,:));
0137   Hydrogen(1).Distance = zDistance(N1.Fit(13,:),N2.Fit(3,:));
0138   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(4,:));
0139   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0140 elseif (Class == 2) & (Paircode == 7),
0141   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(3,:));
0142   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0143   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Fit(4,:));
0144   Hydrogen(2).Distance = zDistance(N1.Fit(16,:),N2.Fit(4,:));
0145 elseif (Class == 2) & (Paircode == 11),
0146   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(12,:),N2.Fit(4,:));
0147   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(12,:));
0148   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(6,:));
0149   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(6,:));
0150 elseif (Class == 2) & (Paircode == 15),
0151   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(11,:),N2.Fit(4,:));
0152   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(11,:));
0153   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(6,:));
0154   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(6,:));
0155 elseif (Class == -2) & (Paircode == 13),
0156   Hydrogen(1).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(6,:));
0157   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0158   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(4,:));
0159   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0160   Hydrogen(3).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0161   Hydrogen(3).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0162 elseif (Class == -2) & (Paircode == 14),
0163   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(4,:));
0164   Hydrogen(1).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0165   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(3,:));
0166   Hydrogen(2).Distance = zDistance(N1.Fit(13,:),N2.Fit(3,:));
0167 elseif (Class == -2) & (Paircode == 15),
0168   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(6,:));
0169   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(6,:));
0170   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N2.Fit(11,:),N2.Fit(4,:));
0171   Hydrogen(2).Distance = zDistance(N1.Fit(6,:),N2.Fit(11,:));
0172 elseif (Class == 2) & (Paircode == 16),
0173   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(11,:),N2.Fit(4,:));
0174   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(11,:));
0175   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(11,:),N2.Fit(6,:));
0176   Hydrogen(2).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0177 elseif (Class == 3) & (Paircode == 9),
0178   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(6,:));
0179   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(6,:));
0180   Hydrogen(2).Angle    = [];
0181   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(10,:));
0182 elseif (Class == 3) & (Paircode == 13),
0183   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(6,:));
0184   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(6,:));
0185   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(9,:),N2.Fit(8,:));
0186   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(9,:));
0187 elseif (Class == 3) & (Paircode == 6),
0188   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N2.Fit(12,:),N2.Fit(6,:));
0189   Hydrogen(1).Distance = zDistance(N1.Fit(4,:),N2.Fit(12,:));
0190   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(11,:),N2.Fit(8,:));
0191   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(11,:));
0192 elseif (Class == 3) & (Paircode == 7),
0193   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(13,:),N2.Fit(6,:));
0194   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(13,:));
0195   Hydrogen(2).Angle    = [];
0196   Hydrogen(2).Distance = zDistance(N1.Fit(10,:),N2.Fit(4,:));
0197 elseif (Class == 3) & (Paircode == 14),
0198   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(6,:));
0199   Hydrogen(1).Distance = zDistance(N1.Fit(13,:),N2.Fit(6,:));
0200   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(9,:),N2.Fit(8,:));
0201   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(9,:));
0202 elseif (Class == -3) & (Paircode == 9),
0203   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(6,:));
0204   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0205   Hydrogen(2).Angle    = zAngle(N1.Fit(10,:),N2.Fit(12,:),N2.Fit(4,:));
0206   Hydrogen(2).Distance = zDistance(N1.Fit(10,:),N2.Fit(12,:));
0207 elseif (Class == 3) & (Paircode == 11),
0208   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(6,:));
0209   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(6,:));
0210   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Fit(10,:));
0211   Hydrogen(2).Distance = zDistance(N1.Fit(16,:),N2.Fit(10,:));
0212 elseif (Class == -3) & (Paircode == 13),
0213   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(6,:));
0214   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0215   Hydrogen(2).Angle    = zAngle(N1.Fit(10,:),N2.Fit(11,:),N2.Fit(4,:));
0216   Hydrogen(2).Distance = zDistance(N1.Fit(10,:),N2.Fit(11,:));
0217   Hydrogen(3).Angle    = zAngle(N1.Fit(7,:),N1.Fit(12,:),N2.Fit(3,:));
0218   Hydrogen(3).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0219 elseif (Class == -3) & (Paircode == 15),
0220   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(11,:),N2.Fit(4,:));
0221   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(11,:));
0222   Hydrogen(2).Angle    = zAngle(N1.Fit(7,:),N1.Fit(13,:),N2.Fit(3,:));
0223   Hydrogen(2).Distance = zDistance(N1.Fit(13,:),N2.Fit(3,:));
0224 elseif (Class == 3) & (Paircode == 16),
0225   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(11,:),N2.Fit(6,:));
0226   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0227   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(9,:),N2.Fit(8,:));
0228   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(9,:));
0229 elseif (Class == 4) & (Paircode == 1),
0230   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(10,:));
0231   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(10,:));
0232   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(15,:),N2.Fit(6,:));
0233   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(15,:));
0234 elseif (Class == 4) & (Paircode == 9),
0235   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(10,:));
0236   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(10,:));
0237   Hydrogen(2).Angle    = [];
0238   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(6,:));
0239 elseif (Class == -4) & (Paircode == 5),
0240   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(13,:),N2.Fit(6,:));
0241   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(13,:));
0242   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(4,:));
0243   Hydrogen(2).Distance = zDistance(N1.Fit(15,:),N2.Fit(4,:));
0244 elseif (Class == 4) & (Paircode == 6),
0245   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(8,:));
0246   Hydrogen(1).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0247   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(12,:),N2.Fit(6,:));
0248   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(12,:));
0249 elseif (Class == 4) & (Paircode == 7),
0250   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(13,:),N2.Fit(6,:));
0251   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(13,:));
0252   Hydrogen(2).Angle    = [];
0253   Hydrogen(2).Distance = zDistance(N1.Fit(6,:),N2.Fit(4,:));
0254 elseif (Class == 4) & (Paircode == 11),
0255   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(10,:));
0256   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(10,:));
0257   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Fit(6,:));
0258   Hydrogen(2).Distance = zDistance(N1.Fit(16,:),N2.Fit(6,:));
0259 elseif (Class == 4) & (Paircode == 15),
0260   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(9,:),N2.Fit(8,:));
0261   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(9,:));
0262   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(6,:));
0263   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(6,:));
0264 elseif (Class == -4) & (Paircode == 13),
0265   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(11,:),N2.Fit(4,:));
0266   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(11,:));
0267   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(3,:));
0268   Hydrogen(2).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0269 elseif (Class == -4) & (Paircode == 15),
0270   Hydrogen(1).Angle    = zAngle(N1.Fit(7,:),N1.Fit(13,:),N2.Fit(6,:));
0271   Hydrogen(1).Distance = zDistance(N1.Fit(13,:),N2.Fit(6,:));
0272   Hydrogen(2).Angle    = zAngle(N1.Fit(10,:),N2.Fit(11,:),N2.Fit(4,:));
0273   Hydrogen(2).Distance = zDistance(N1.Fit(10,:),N2.Fit(11,:));
0274 elseif (Class == 4) & (Paircode == 16),
0275   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(9,:),N2.Fit(8,:));
0276   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(9,:));
0277   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(11,:),N2.Fit(6,:));
0278   Hydrogen(2).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0279 elseif (Class == 5) & (Paircode == 1),
0280   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0281   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0282   Hydrogen(2).Angle    = [];
0283   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0284 elseif (Class == 5) & (Paircode == 5),
0285   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0286   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0287   Hydrogen(2).Angle    = [];
0288   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0289 elseif (Class == 5) & (Paircode == 9),
0290   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0291   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0292   Hydrogen(2).Angle    = [];
0293   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0294 elseif (Class == 5) & (Paircode == 13),
0295   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0296   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0297   Hydrogen(2).Angle    = [];
0298   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0299 elseif (Class == -5) & (Paircode == 5),
0300   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(13,:),N2.Fit(6,:));
0301   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(13,:));
0302   Hydrogen(2).Angle    = [];
0303   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(4,:));
0304 elseif (Class == 5) & (Paircode == 6),
0305   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(3,:));
0306   Hydrogen(1).Distance = zDistance(N1.Fit(13,:),N2.Fit(3,:));
0307   Hydrogen(2).Angle    = [];
0308   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0309 elseif (Class == 5) & (Paircode == 7),
0310   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(13,:),N2.Fit(6,:));
0311   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(13,:));
0312   Hydrogen(2).Angle    = [];
0313   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(4,:));
0314 elseif (Class == 5) & (Paircode == 14),
0315   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(3,:));
0316   Hydrogen(1).Distance = zDistance(N1.Fit(13,:),N2.Fit(3,:));
0317   Hydrogen(2).Angle    = [];
0318   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0319 elseif (Class == -5) & (Paircode == 9),
0320   Hydrogen(1).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(6,:));
0321   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0322   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(12,:),N2.Fit(4,:));
0323   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(12,:));
0324   Hydrogen(3).Angle    = zAngle(N1.Sugar(3,:),N2.Fit(16,:),N2.Fit(11,:));
0325   Hydrogen(3).Distance = zDistance(N1.Sugar(3,:),N2.Fit(16,:));
0326 elseif (Class == 5) & (Paircode == 7),
0327   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(3,:));
0328   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0329   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Sugar(3,:));
0330   Hydrogen(2).Distance = zDistance(N1.Fit(16,:),N2.Sugar(3,:));
0331 elseif (Class == 5) & (Paircode == 11),
0332   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(15,:),N2.Fit(11,:));
0333   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(15,:));
0334   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Sugar(3,:));
0335   Hydrogen(2).Distance = zDistance(N1.Fit(16,:),N2.Sugar(3,:));
0336 elseif (Class == 5) & (Paircode == 15),
0337   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(3,:));
0338   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0339   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Sugar(3,:));
0340   Hydrogen(2).Distance = zDistance(N1.Fit(16,:),N2.Sugar(3,:));
0341 elseif (Class == -5) & (Paircode == 13),
0342   Hydrogen(1).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(6,:));
0343   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0344   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(11,:),N2.Fit(4,:));
0345   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(11,:));
0346   Hydrogen(3).Angle    = [];
0347   Hydrogen(3).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0348 elseif (Class == -5) & (Paircode == 14),
0349   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(11,:),N2.Fit(4,:));
0350   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(11,:));
0351   Hydrogen(2).Angle    = [];
0352   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0353 elseif (Class == -5) & (Paircode == 15),
0354   Hydrogen(1).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(6,:));
0355   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0356   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(11,:),N2.Fit(4,:));
0357   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(11,:));
0358 elseif (Class == 5) & (Paircode == 16),
0359   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(11,:),N2.Fit(3,:));
0360   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0361   Hydrogen(2).Angle    = [];
0362   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Sugar(3,:));
0363 elseif (Class == 6) & (Paircode == 1),
0364   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0365   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0366   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(11,:),N2.Fit(9,:));
0367   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(11,:));
0368 elseif (Class == 6) & (Paircode == 5),
0369   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Sugar(3,:));
0370   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Sugar(3,:));
0371   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0372   Hydrogen(2).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0373 elseif (Class == 6) & (Paircode == 9),
0374   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0375   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0376   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(15,:),N2.Fit(11,:));
0377   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(15,:));
0378 elseif (Class == 6) & (Paircode == 13),
0379   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Sugar(3,:));
0380   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Sugar(3,:));
0381   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0382   Hydrogen(2).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0383 elseif (Class == -6) & (Paircode == 5),
0384   Hydrogen(1).Angle    = zAngle(N1.Sugar(3,:),N2.Fit(12,:),N2.Fit(6,:));
0385   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Fit(12,:));
0386   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(13,:),N2.Fit(6,:));
0387   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(13,:));
0388 elseif (Class == 6) & (Paircode == 6),
0389   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(12,:),N2.Sugar(3,:));
0390   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Sugar(3,:));
0391   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(3,:));
0392   Hydrogen(2).Distance = zDistance(N1.Fit(13,:),N2.Fit(3,:));
0393 elseif (Class == 6) & (Paircode == 7),
0394   Hydrogen(1).Angle    = zAngle(N1.Sugar(3,:),N2.Fit(12,:),N2.Fit(6,:));
0395   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Fit(12,:));
0396   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(13,:),N2.Fit(6,:));
0397   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(13,:));
0398   Hydrogen(3).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(4,:));
0399   Hydrogen(3).Distance = zDistance(N1.Fit(15,:),N2.Fit(4,:));
0400 elseif (Class == 6) & (Paircode == 14),
0401   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(12,:),N2.Sugar(3,:));
0402   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Sugar(3,:));
0403   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Fit(3,:));
0404   Hydrogen(2).Distance = zDistance(N1.Fit(13,:),N2.Fit(3,:));
0405 elseif (Class == 6) & (Paircode == 7),
0406   Hydrogen(1).Angle    = [];
0407   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Sugar(3,:));
0408   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(3,:));
0409   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0410 elseif (Class == 6) & (Paircode == 15),
0411   Hydrogen(1).Angle    = [];
0412   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Sugar(3,:));
0413   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(3,:));
0414   Hydrogen(2).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0415 elseif (Class == -6) & (Paircode == 13),
0416   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(11,:),N2.Fit(4,:));
0417   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(11,:));
0418   Hydrogen(2).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(3,:));
0419   Hydrogen(2).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0420 elseif (Class == -6) & (Paircode == 14),
0421   Hydrogen(1).Angle    = [];
0422   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Fit(6,:));
0423   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(11,:),N2.Fit(4,:));
0424   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(11,:));
0425 elseif (Class == -6) & (Paircode == 15),
0426   Hydrogen(1).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(3,:));
0427   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0428 elseif (Class == 6) & (Paircode == 16),
0429   Hydrogen(1).Angle    = [];
0430   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Sugar(3,:));
0431   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N1.Fit(11,:),N2.Fit(3,:));
0432   Hydrogen(2).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0433 elseif (Class == 7) & (Paircode == 9),
0434   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(6,:));
0435   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0436 elseif (Class == 7) & (Paircode == 7),
0437   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(10,:),N2.Fit(7,:));
0438   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(10,:));
0439 elseif (Class == -7) & (Paircode == 9),
0440   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(6,:));
0441   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0442 elseif (Class == 7) & (Paircode == 7),
0443   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(10,:),N2.Fit(7,:));
0444   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(10,:));
0445 elseif (Class == 7) & (Paircode == 11),
0446   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(13,:),N2.Fit(7,:));
0447   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(13,:));
0448 elseif (Class == 8) & (Paircode == 1),
0449   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(15,:),N2.Fit(6,:));
0450   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(15,:));
0451   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(10,:));
0452   Hydrogen(2).Distance = zDistance(N1.Fit(15,:),N2.Fit(10,:));
0453 elseif (Class == 8) & (Paircode == 5),
0454   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(12,:),N2.Fit(6,:));
0455   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(12,:));
0456 elseif (Class == 8) & (Paircode == 9),
0457   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(6,:));
0458   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0459 elseif (Class == 8) & (Paircode == 13),
0460   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(6,:));
0461   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0462 elseif (Class == -8) & (Paircode == 5),
0463   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(12,:),N2.Fit(6,:));
0464   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(12,:));
0465 elseif (Class == 8) & (Paircode == 7),
0466   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(12,:),N2.Fit(6,:));
0467   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(12,:));
0468 elseif (Class == 8) & (Paircode == 14),
0469   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(12,:),N2.Fit(6,:));
0470   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(6,:));
0471 elseif (Class == -8) & (Paircode == 9),
0472   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(6,:));
0473   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0474 elseif (Class == 8) & (Paircode == 7),
0475   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(12,:),N2.Fit(6,:));
0476   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(12,:));
0477 elseif (Class == 8) & (Paircode == 11),
0478   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(13,:),N2.Fit(7,:));
0479   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(13,:));
0480 elseif (Class == -8) & (Paircode == 13),
0481   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(6,:));
0482   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0483 elseif (Class == -8) & (Paircode == 14),
0484   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(12,:),N2.Fit(6,:));
0485   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(6,:));
0486 elseif (Class == 9) & (Paircode == 1),
0487   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(3,:));
0488   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0489 elseif (Class == 9) & (Paircode == 5),
0490   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(3,:));
0491   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0492 elseif (Class == 9) & (Paircode == 9),
0493   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(15,:),N2.Fit(11,:));
0494   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(15,:));
0495 elseif (Class == 9) & (Paircode == 13),
0496   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(3,:));
0497   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0498 elseif (Class == -9) & (Paircode == 5),
0499   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(12,:),N2.Fit(6,:));
0500   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(12,:));
0501 elseif (Class == 9) & (Paircode == 6),
0502   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(12,:),N2.Fit(3,:));
0503   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0504   Hydrogen(2).Angle    = zAngle(N1.Fit(7,:),N1.Fit(10,:),N2.Sugar(3,:));
0505   Hydrogen(2).Distance = zDistance(N1.Fit(10,:),N2.Sugar(3,:));
0506 elseif (Class == 9) & (Paircode == 7),
0507   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(12,:),N2.Fit(6,:));
0508   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(12,:));
0509 elseif (Class == 9) & (Paircode == 14),
0510   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(12,:),N2.Fit(3,:));
0511   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0512 elseif (Class == -9) & (Paircode == 9),
0513   Hydrogen(1).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(6,:));
0514   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0515 elseif (Class == 9) & (Paircode == 11),
0516   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(15,:),N2.Fit(11,:));
0517   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(15,:));
0518 elseif (Class == -9) & (Paircode == 13),
0519   Hydrogen(1).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(6,:));
0520   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0521 elseif (Class == -9) & (Paircode == 14),
0522   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(9,:),N2.Fit(8,:));
0523   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(9,:));
0524 elseif (Class == -9) & (Paircode == 15),
0525   Hydrogen(1).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(6,:));
0526   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0527 elseif (Class == 9) & (Paircode == 16),
0528   Hydrogen(1).Angle    = zAngle(N1.Fit(8,:),N1.Fit(9,:),N2.Fit(3,:));
0529   Hydrogen(1).Distance = zDistance(N1.Fit(9,:),N2.Fit(3,:));
0530 elseif (Class == 10) & (Paircode == 1),
0531   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(11,:),N2.Fit(9,:));
0532   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(11,:));
0533   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(3,:));
0534   Hydrogen(2).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0535   Hydrogen(3).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Sugar(3,:));
0536   Hydrogen(3).Distance = zDistance(N1.Fit(14,:),N2.Sugar(3,:));
0537 elseif (Class == 10) & (Paircode == 5),
0538   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(3,:));
0539   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0540   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Sugar(3,:));
0541   Hydrogen(2).Distance = zDistance(N1.Fit(14,:),N2.Sugar(3,:));
0542 elseif (Class == 10) & (Paircode == 9),
0543   Hydrogen(1).Angle    = zAngle(N1.Fit(10,:),N2.Fit(15,:),N2.Fit(11,:));
0544   Hydrogen(1).Distance = zDistance(N1.Fit(10,:),N2.Fit(15,:));
0545   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(3,:));
0546   Hydrogen(2).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0547 elseif (Class == 10) & (Paircode == 13),
0548   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(3,:));
0549   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0550   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Sugar(3,:));
0551   Hydrogen(2).Distance = zDistance(N1.Fit(14,:),N2.Sugar(3,:));
0552 elseif (Class == -10) & (Paircode == 5),
0553   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(12,:),N2.Fit(6,:));
0554   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(12,:));
0555   Hydrogen(2).Angle    = zAngle(N1.Sugar(3,:),N2.Fit(13,:),N2.Fit(6,:));
0556   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(13,:));
0557 elseif (Class == 10) & (Paircode == 6),
0558   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(12,:),N2.Fit(3,:));
0559   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0560   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Sugar(3,:));
0561   Hydrogen(2).Distance = zDistance(N1.Fit(13,:),N2.Sugar(3,:));
0562 elseif (Class == 10) & (Paircode == 14),
0563   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(12,:),N2.Fit(3,:));
0564   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(3,:));
0565   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(13,:),N2.Sugar(3,:));
0566   Hydrogen(2).Distance = zDistance(N1.Fit(13,:),N2.Sugar(3,:));
0567 elseif (Class == 10) & (Paircode == 11),
0568   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N2.Fit(15,:),N2.Fit(11,:));
0569   Hydrogen(1).Distance = zDistance(N1.Fit(6,:),N2.Fit(15,:));
0570 elseif (Class == -10) & (Paircode == 13),
0571   Hydrogen(1).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(6,:));
0572   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(6,:));
0573 elseif (Class == -10) & (Paircode == 15),
0574   Hydrogen(1).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(6,:));
0575   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(6,:));
0576 elseif (Class == 11) & (Paircode == 1),
0577   Hydrogen(1).Angle    = [];
0578   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0579   Hydrogen(2).Angle    = [];
0580   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0581   Hydrogen(3).Angle    = zAngle(N1.Fit(3,:),N2.Fit(11,:),N2.Fit(9,:));
0582   Hydrogen(3).Distance = zDistance(N1.Fit(3,:),N2.Fit(11,:));
0583 elseif (Class == 11) & (Paircode == 5),
0584   Hydrogen(1).Angle    = [];
0585   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0586   Hydrogen(2).Angle    = [];
0587   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0588 elseif (Class == 11) & (Paircode == 9),
0589   Hydrogen(1).Angle    = [];
0590   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0591   Hydrogen(2).Angle    = [];
0592   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0593   Hydrogen(3).Angle    = zAngle(N1.Fit(3,:),N2.Fit(15,:),N2.Fit(11,:));
0594   Hydrogen(3).Distance = zDistance(N1.Fit(3,:),N2.Fit(15,:));
0595 elseif (Class == 11) & (Paircode == 13),
0596   Hydrogen(1).Angle    = [];
0597   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0598   Hydrogen(2).Angle    = [];
0599   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0600 elseif (Class == -11) & (Paircode == 5),
0601   Hydrogen(1).Angle    = [];
0602   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0603   Hydrogen(2).Angle    = [];
0604   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Sugar(3,:));
0605 elseif (Class == 11) & (Paircode == 6),
0606   Hydrogen(1).Angle    = [];
0607   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0608   Hydrogen(2).Angle    = [];
0609   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0610 elseif (Class == 11) & (Paircode == 7),
0611   Hydrogen(1).Angle    = [];
0612   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0613   Hydrogen(2).Angle    = [];
0614   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Sugar(3,:));
0615   Hydrogen(3).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(3,:));
0616   Hydrogen(3).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0617 elseif (Class == 11) & (Paircode == 14),
0618   Hydrogen(1).Angle    = [];
0619   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0620   Hydrogen(2).Angle    = [];
0621   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0622 elseif (Class == -11) & (Paircode == 9),
0623   Hydrogen(1).Angle    = [];
0624   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0625   Hydrogen(2).Angle    = [];
0626   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Sugar(3,:));
0627   Hydrogen(3).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(3,:));
0628   Hydrogen(3).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0629   Hydrogen(4).Angle    = zAngle(N1.Fit(4,:),N2.Fit(15,:),N2.Fit(11,:));
0630   Hydrogen(4).Distance = zDistance(N1.Fit(4,:),N2.Fit(15,:));
0631 elseif (Class == 11) & (Paircode == 7),
0632   Hydrogen(1).Angle    = [];
0633   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0634   Hydrogen(2).Angle    = [];
0635   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0636 elseif (Class == 11) & (Paircode == 11),
0637   Hydrogen(1).Angle    = [];
0638   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0639   Hydrogen(2).Angle    = [];
0640   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0641   Hydrogen(3).Angle    = zAngle(N1.Fit(3,:),N2.Fit(15,:),N2.Fit(11,:));
0642   Hydrogen(3).Distance = zDistance(N1.Fit(3,:),N2.Fit(15,:));
0643 elseif (Class == 11) & (Paircode == 15),
0644   Hydrogen(1).Angle    = [];
0645   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0646   Hydrogen(2).Angle    = [];
0647   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0648 elseif (Class == -11) & (Paircode == 13),
0649   Hydrogen(1).Angle    = [];
0650   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0651   Hydrogen(2).Angle    = [];
0652   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Sugar(3,:));
0653   Hydrogen(3).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(3,:));
0654   Hydrogen(3).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0655 elseif (Class == -11) & (Paircode == 14),
0656   Hydrogen(1).Angle    = [];
0657   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0658   Hydrogen(2).Angle    = [];
0659   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Sugar(3,:));
0660 elseif (Class == -11) & (Paircode == 15),
0661   Hydrogen(1).Angle    = [];
0662   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0663   Hydrogen(2).Angle    = [];
0664   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Sugar(3,:));
0665   Hydrogen(3).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(3,:));
0666   Hydrogen(3).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0667 elseif (Class == 11) & (Paircode == 16),
0668   Hydrogen(1).Angle    = [];
0669   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Sugar(3,:));
0670   Hydrogen(2).Angle    = [];
0671   Hydrogen(2).Distance = zDistance(N1.Sugar(3,:),N2.Fit(3,:));
0672 elseif (Class == 12) & (Paircode == 1),
0673   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(11,:),N2.Fit(9,:));
0674   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(11,:));
0675   Hydrogen(2).Angle    = [];
0676   Hydrogen(2).Distance = zDistance(N1.Fit(9,:),N2.Fit(3,:));
0677   Hydrogen(3).Angle    = [];
0678   Hydrogen(3).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0679 elseif (Class == 12) & (Paircode == 5),
0680   Hydrogen(1).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(3,:));
0681   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0682   Hydrogen(2).Angle    = [];
0683   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0684 elseif (Class == 12) & (Paircode == 9),
0685   Hydrogen(1).Angle    = zAngle(N1.Fit(3,:),N2.Fit(15,:),N2.Fit(11,:));
0686   Hydrogen(1).Distance = zDistance(N1.Fit(3,:),N2.Fit(15,:));
0687   Hydrogen(2).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(3,:));
0688   Hydrogen(2).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0689   Hydrogen(3).Angle    = [];
0690   Hydrogen(3).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0691 elseif (Class == 12) & (Paircode == 13),
0692   Hydrogen(1).Angle    = [];
0693   Hydrogen(1).Distance = zDistance(N1.Fit(4,:),N2.Sugar(3,:));
0694   Hydrogen(2).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(3,:));
0695   Hydrogen(2).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0696 elseif (Class == -12) & (Paircode == 9),
0697   Hydrogen(1).Angle    = zAngle(N1.Fit(9,:),N1.Fit(11,:),N2.Fit(3,:));
0698   Hydrogen(1).Distance = zDistance(N1.Fit(11,:),N2.Fit(3,:));
0699   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(15,:),N2.Fit(11,:));
0700   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(15,:));
0701   Hydrogen(3).Angle    = zAngle(N1.Sugar(3,:),N2.Fit(16,:),N2.Fit(11,:));
0702   Hydrogen(3).Distance = zDistance(N1.Sugar(3,:),N2.Fit(16,:));
0703 elseif (Class == 12) & (Paircode == 7),
0704   Hydrogen(1).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(3,:));
0705   Hydrogen(1).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0706   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Sugar(3,:));
0707   Hydrogen(2).Distance = zDistance(N1.Fit(16,:),N2.Sugar(3,:));
0708 elseif (Class == 12) & (Paircode == 11),
0709   Hydrogen(1).Angle    = zAngle(N1.Sugar(3,:),N2.Fit(16,:),N2.Fit(11,:));
0710   Hydrogen(1).Distance = zDistance(N1.Sugar(3,:),N2.Fit(16,:));
0711   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(15,:),N2.Fit(11,:));
0712   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(15,:));
0713   Hydrogen(3).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(3,:));
0714   Hydrogen(3).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0715   Hydrogen(4).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Sugar(3,:));
0716   Hydrogen(4).Distance = zDistance(N1.Fit(16,:),N2.Sugar(3,:));
0717 elseif (Class == 12) & (Paircode == 15),
0718   Hydrogen(1).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Sugar(3,:));
0719   Hydrogen(1).Distance = zDistance(N1.Fit(16,:),N2.Sugar(3,:));
0720   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(15,:),N2.Fit(3,:));
0721   Hydrogen(2).Distance = zDistance(N1.Fit(15,:),N2.Fit(3,:));
0722 elseif (Class == 13) & (Paircode == 1),
0723   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N2.Fit(14,:),N2.Fit(6,:));
0724   Hydrogen(1).Distance = zDistance(N1.Fit(4,:),N2.Fit(14,:));
0725   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(15,:),N2.Fit(6,:));
0726   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(15,:));
0727 elseif (Class == 13) & (Paircode == 5),
0728   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N2.Fit(12,:),N2.Fit(6,:));
0729   Hydrogen(1).Distance = zDistance(N1.Fit(4,:),N2.Fit(12,:));
0730   Hydrogen(2).Angle    = zAngle(N1.Fit(4,:),N2.Fit(13,:),N2.Fit(6,:));
0731   Hydrogen(2).Distance = zDistance(N1.Fit(4,:),N2.Fit(13,:));
0732 elseif (Class == -13) & (Paircode == 5),
0733   Hydrogen(1).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(4,:));
0734   Hydrogen(1).Distance = zDistance(N1.Fit(14,:),N2.Fit(4,:));
0735   Hydrogen(2).Angle    = zAngle(N1.Fit(6,:),N1.Fit(15,:),N2.Fit(4,:));
0736   Hydrogen(2).Distance = zDistance(N1.Fit(15,:),N2.Fit(4,:));
0737   Hydrogen(3).Angle    = zAngle(N1.Fit(6,:),N1.Fit(14,:),N2.Fit(3,:));
0738   Hydrogen(3).Distance = zDistance(N1.Fit(14,:),N2.Fit(3,:));
0739 elseif (Class == 13) & (Paircode == 6),
0740   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N2.Fit(13,:),N2.Fit(6,:));
0741   Hydrogen(1).Distance = zDistance(N1.Fit(4,:),N2.Fit(13,:));
0742   Hydrogen(2).Angle    = zAngle(N1.Fit(3,:),N2.Fit(13,:),N2.Fit(6,:));
0743   Hydrogen(2).Distance = zDistance(N1.Fit(3,:),N2.Fit(13,:));
0744 elseif (Class == 13) & (Paircode == 11),
0745   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(6,:));
0746   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(6,:));
0747   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Fit(6,:));
0748   Hydrogen(2).Distance = zDistance(N1.Fit(16,:),N2.Fit(6,:));
0749 elseif (Class == 13) & (Paircode == 15),
0750   Hydrogen(1).Angle    = zAngle(N1.Fit(4,:),N1.Fit(12,:),N2.Fit(6,:));
0751   Hydrogen(1).Distance = zDistance(N1.Fit(12,:),N2.Fit(6,:));
0752   Hydrogen(2).Angle    = zAngle(N1.Fit(11,:),N1.Fit(16,:),N2.Fit(6,:));
0753   Hydrogen(2).Distance = zDistance(N1.Fit(16,:),N2.Fit(6,:));
0754 else
0755   Hydrogen = [];
0756 end

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