Description of zCheckHydrogen

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
zCheckHydrogen

PURPOSE

SYNOPSIS

DESCRIPTION

CROSS-REFERENCE INFORMATION

SOURCE CODE
