* LIGAND DATABASE FILE (OPLS2005)
*
001      96    98    168    257     486
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02024   104.36282     6.28276
    3     1 S   H    _H1_     3     1.02042    44.24313   108.49536
    4     1 S   H    _H2_     4     1.02113    68.79204   -98.57244
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C16    36     1.82186    98.13043  -178.21809
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C17    37     1.51758   110.35402    60.01658
   38    33 S   OH   _O37    95     1.42230   112.06112  -174.15118
   39    38 S   HO   _H28    96     0.97087   106.87573   175.18049
   40    37 S   CA   _C19    38     1.47311   125.29732    62.42646
   41    37 S   CM   _C18    63     1.34458   107.40212  -117.85589
   42    40 S   CA   _C20    39     1.39509   119.92483    59.68384
   43    42 S   HA   _H15    40     1.08798   120.83262    -0.07402
   44    41 S   OS   _O34    64     1.39358   113.88008     0.71901
   45    41 S   OH   _O35    93     1.36720   125.83395  -178.02286
   46    45 S   HO   _H14    94     0.96666   110.52517   179.94766
   47    42 S   CA   _C21    41     1.39459   120.00660   179.92087
   48    47 S   HA   _H16    42     1.08668   119.62164  -180.00000
   49    33 S   CM   _C15    65     1.51496   110.56683   -52.13754
   50    47 S   CA   _C22    43     1.39525   120.01297    -0.00000
   51    49 S   CM   _C14    66     1.33674   128.64331   -65.82752
   52    51 S   HC   _H13    67     1.08870   117.46931     1.75636
   53    50 S   CA   _C23    44     1.39521   119.97682    -0.06256
   54    50 S   OH   _O36    61     1.36172   119.21877   179.95154
   55    54 S   HO   _H27    62     0.97005   110.25312    -0.03426
   56    51 S   CA   _C10    68     1.43367   124.57460   180.00000
   57    40 S   CA   _C24    45     1.39523   120.08857  -120.46500
   58    57 S   HA   _H17    46     1.08768   120.27253     0.08156
   59    53 S   CT   _C25    47     1.49245   120.68608  -179.94766
   60    59 S   HC   _H18    48     1.10338   110.06120    45.02946
   61    59 S   HC   _H19    49     1.09998   110.28882   158.86073
   62    56 S   CA   _C11    69     1.39508   119.85455    61.78413
   63    62 S   HA   _H10    70     1.08674   120.92118     0.01978
   64    59 S   CM   _C26    50     1.50810   112.94744   -75.28048
   65    64 S   HC   _H20    51     1.09021   114.11959    92.48792
   66    62 S   CA   _C12    71     1.39541   119.97056   179.93147
   67    66 S   HA   _H11    72     1.08612   119.62235  -179.93147
   68    64 S   CM   _C27    52     1.34735   128.05265   -88.29187
   69    66 S   CA   _C13    73     1.39508   119.98059    -0.02798
   70    68 S   CT   _C28    53     1.50230   125.26749   179.95154
   71    70 S   HC   _H21    54     1.09184   113.62901    90.01707
   72    70 S   HC   _H22    55     1.09530   110.00437  -150.14390
   73    70 S   HC   _H23    56     1.09455   110.11539   -30.91593
   74    68 S   CT   _C29    57     1.50571   120.36773    -0.56023
   75    74 S   HC   _H24    58     1.09536   112.43483    90.04271
   76    74 S   HC   _H25    59     1.09508   110.19878  -149.91892
   77    74 S   HC   _H26    60     1.09490   110.30661   -30.09149
   78    69 S   CA   _C8_    74     1.39525   120.01337     0.03956
   79    69 S   OH   _O33    91     1.36211   119.22336   179.89532
   80    79 S   HO   _H12    92     0.96970   110.22406     0.07133
   81    56 S   CA   _C9_    75     1.39434   120.12160  -118.31082
   82    81 S   HA   _H9_    76     1.08840   120.28346     0.05234
   83    78 S   CT   _C7_    77     1.49242   120.67505  -179.96044
   84    83 S   HC   _H7_    78     1.10339   110.11111    44.94115
   85    83 S   HC   _H8_    79     1.10044   110.25597   158.77301
   86    83 S   CM   _C6_    80     1.50893   112.89455   -75.41519
   87    86 S   HC   _H6_    81     1.08972   114.03581    92.57752
   88    86 S   CM   _C5_    82     1.34620   128.10201   -88.32906
   89    88 S   CT   _C4_    83     1.50248   125.30872   179.97202
   90    89 S   HC   _H3_    84     1.09211   113.61946    90.02260
   91    89 S   HC   _H4_    85     1.09561   110.02492  -150.06863
   92    89 S   HC   _H5_    86     1.09434   110.01795   -30.82803
   93    88 S   CT   _C30    87     1.50639   120.37291    -0.42011
   94    93 S   HC   _H29    88     1.09489   112.44931    89.95841
   95    93 S   HC   _H30    89     1.09519   110.19834  -149.98050
   96    93 S   HC   _H31    90     1.09530   110.23790   -30.19902
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   2   1   1  15   6   1  13   7   8   4   6   2   1   7   3
   5   9   8   3  10   3   1   9   5   1   7   4   3   8   4  10
   3   7   3   8   9   7   3   2   1   3   2   1   1  10   3   1
   5   1   7   4   3  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    41    44    49    51    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    57    41    44    49    51    52    56    45    38    39  
   35    36  
   36  
    0  
   40    42    43    47    53    57    58    41    44    49    51    45    46    38    39  
   39    40    41    44    49    51  
   49  
   42    43    47    48    50    53    57    58    59    41    44    49    45  
   44    49    51    45    46    42    57  
   43    47    48    50    53    57    58    54  
   47    48    50    57  
   49    51    52    56    45    46  
   46    49  
    0  
   48    50    53    57    59    54    55  
   50    53    54  
   51    52    56    62    81  
   53    57    58    59    60    61    64    54    55  
   52    56    62    63    66    78    81    82  
   56    62    81  
   57    58    59    60    61    64    65    68    54    55  
   55    57    59  
    0  
   62    63    66    67    69    78    81    82    83  
   58    59    60    61    64  
   59  
   60    61    64    65    68    70    74  
   61    64    65    68  
   64    65    68  
   63    66    67    69    78    81    82    79  
   66    67    69    81  
   65    68    70    71    72    73    74    75    76    77  
   68    70    74  
   67    69    78    81    83    79    80  
   69    78    79  
   70    71    72    73    74    75    76    77  
   78    81    82    83    84    85    86    79    80  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   81    82    83    84    85    86    87    88    79    80  
   80    81    83  
    0  
   82    83    84    85    86  
   83  
   84    85    86    87    88    89    93  
   85    86    87    88  
   86    87    88  
   87    88    89    90    91    92    93    94    95    96  
   88    89    93  
   89    90    91    92    93    94    95    96  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   2.8500   0.1400  -0.170000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    49   317.000  1.510
   33    38   320.000  1.410
   37    40   320.000  1.460
   37    41   549.000  1.340
   40    42   469.000  1.400
   40    57   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    53   469.000  1.400
   50    54   450.000  1.364
   53    57   469.000  1.400
   53    59   317.000  1.510
   57    58   367.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   317.000  1.510
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    70   317.000  1.510
   68    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   54    55   553.000  0.945
   41    44   440.000  1.360
   41    45   510.000  1.338
   44    49   440.000  1.360
   49    51   549.000  1.340
   51    52   340.000  1.080
   51    56   320.000  1.460
   56    62   469.000  1.400
   56    81   469.000  1.400
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    78   469.000  1.400
   69    79   450.000  1.364
   78    81   469.000  1.400
   78    83   317.000  1.510
   81    82   367.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   317.000  1.510
   86    87   340.000  1.080
   86    88   549.000  1.340
   88    89   317.000  1.510
   88    93   317.000  1.510
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   79    80   553.000  0.945
   45    46   553.000  0.945
   38    39   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    49    75.00000  112.20000
   29    33    38    85.00000  114.68000
   33    37    40    60.00000  124.00000
   33    37    41    70.00000  124.00000
   33    49    44    85.00000  112.85300
   33    49    51    70.00000  124.00000
   33    38    39    55.00000  108.50000
   37    40    42    60.00000  118.70000
   37    40    57    60.00000  118.70000
   37    41    44    80.00000  120.01400
   37    41    45    80.00000  121.38400
   40    42    43    35.00000  120.00000
   40    42    47    63.00000  120.00000
   40    57    53    63.00000  120.00000
   40    57    58    35.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    50    63.00000  120.00000
   47    42    43    35.00000  120.00000
   47    50    53    63.00000  120.00000
   47    50    54    70.00000  120.00000
   50    47    48    35.00000  120.00000
   50    53    57    63.00000  120.00000
   50    53    59    70.00000  120.00000
   50    54    55    35.00000  113.00000
   53    57    58    35.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    64    70.00000  112.99600
   57    40    42    63.00000  120.00000
   59    53    57    70.00000  120.00000
   59    64    65    35.00000  117.00000
   59    64    68    70.00000  124.00000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    68    70    70.00000  124.00000
   64    68    74    70.00000  124.00000
   68    64    65    35.00000  120.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    68    70    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   54    50    53    70.00000  120.00000
   41    37    40    60.00000  123.66000
   41    44    49    90.00000  114.05000
   41    45    46    70.00000  107.45700
   44    49    51    80.00000  120.01400
   49    33    37    70.00000  110.12100
   49    51    52    35.00000  120.00000
   49    51    56    60.00000  123.20500
   51    56    62    60.00000  120.93500
   51    56    81    60.00000  120.93500
   56    51    52    40.00000  117.26300
   56    62    63    35.00000  120.00000
   56    62    66    63.00000  120.00000
   56    81    78    63.00000  120.00000
   56    81    82    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    69    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    69    78    63.00000  120.00000
   66    69    79    70.00000  120.00000
   69    66    67    35.00000  120.00000
   69    78    81    63.00000  120.00000
   69    78    83    70.00000  120.00000
   69    79    80    35.00000  113.00000
   78    81    82    35.00000  120.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    70.00000  112.99600
   81    56    62    63.00000  120.00000
   83    78    81    70.00000  120.00000
   83    86    87    35.00000  117.00000
   83    86    88    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   86    88    89    70.00000  124.00000
   86    88    93    70.00000  124.00000
   88    86    87    35.00000  120.00000
   88    89    90    35.00000  109.50000
   88    89    91    35.00000  109.50000
   88    89    92    35.00000  109.50000
   88    93    94    35.00000  109.50000
   88    93    95    35.00000  109.50000
   88    93    96    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    88    89    65.00000  117.92700
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   79    69    78    70.00000  120.00000
   45    41    44   115.00000  116.36000
   38    33    37    90.00000  110.39200
   38    33    49    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    49    44   0.09700  1.0 1.0
   29    33    49    44   0.15600 -1.0 2.0
   29    33    49    44  -0.50800  1.0 3.0
   29    33    49    51   0.42700  1.0 1.0
   29    33    49    51  -0.70350 -1.0 2.0
   29    33    49    51  -0.43150  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    42  -0.02500  1.0 1.0
   33    37    40    42  -0.32150 -1.0 2.0
   33    37    40    42  -0.01500  1.0 3.0
   33    37    40    57  -0.02500  1.0 1.0
   33    37    40    57  -0.32150 -1.0 2.0
   33    37    40    57  -0.01500  1.0 3.0
   33    37   -41    44   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    49    51    52   7.00000 -1.0 2.0
   33    49    51    56   7.00000 -1.0 2.0
   37    33   -49    44   0.09700  1.0 1.0
   37    33   -49    44   0.15600 -1.0 2.0
   37    33   -49    44  -0.50800  1.0 3.0
   37    33    49    51  -0.28300  1.0 1.0
   37    33    49    51   0.26700 -1.0 2.0
   37    33    49    51  -0.63300  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    42    43   3.62500 -1.0 2.0
   37    40    42    47   3.62500 -1.0 2.0
   37    40    57    53   3.62500 -1.0 2.0
   37    40    57    58   3.62500 -1.0 2.0
   37    41   -44    49   2.00000 -1.0 2.0
   37    41    45    46  -0.66100  1.0 1.0
   37    41    45    46   1.20850 -1.0 2.0
   37    41    45    46  -0.36000  1.0 3.0
   40    37    41    44   7.00000 -1.0 2.0
   40    37    41    45   7.00000 -1.0 2.0
   40    42    47    48   3.62500 -1.0 2.0
   40    42    47    50   3.62500 -1.0 2.0
   42    40    57    53   3.62500 -1.0 2.0
   42    40    57    58   3.62500 -1.0 2.0
   42    47   -50    53   3.62500 -1.0 2.0
   42    47    50    54   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    50   3.62500 -1.0 2.0
   47    50    53    57   3.62500 -1.0 2.0
   47    50    53    59   3.62500 -1.0 2.0
   47    50    54    55   0.84100 -1.0 2.0
   48    47    50    53   3.62500 -1.0 2.0
   48    47    50    54   3.62500 -1.0 2.0
   50    53   -57    40   3.62500 -1.0 2.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    59    60   0.00000  1.0 1.0
   50    53    59    61   0.00000  1.0 1.0
   50    53    59    64   0.18050 -1.0 2.0
   53    50    54    55   0.84100 -1.0 2.0
   53    59    64    65   0.00000  1.0 1.0
   53    59    64    68   1.44450  1.0 1.0
   53    59    64    68   0.06600 -1.0 2.0
   53    59    64    68   0.29250  1.0 3.0
   57    40    42    43   3.62500 -1.0 2.0
   57    40   -42    47   3.62500 -1.0 2.0
   57    53    59    60   0.00000  1.0 1.0
   57    53    59    61   0.00000  1.0 1.0
   57    53    59    64   0.18050 -1.0 2.0
   59    53    57    40   3.62500 -1.0 2.0
   59    53    57    58   3.62500 -1.0 2.0
   59    64    68    70   7.00000 -1.0 2.0
   59    64    68    74   7.00000 -1.0 2.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    68   0.00000  1.0 1.0
   61    59    64    65   0.33100  1.0 3.0
   61    59    64    68   0.00000  1.0 1.0
   64    68    70    71   0.00000  1.0 1.0
   64    68    70    72   0.00000  1.0 1.0
   64    68    70    73   0.00000  1.0 1.0
   64    68    74    75   0.00000  1.0 1.0
   64    68    74    76   0.00000  1.0 1.0
   64    68    74    77   0.00000  1.0 1.0
   65    64    68    70   7.00000 -1.0 2.0
   65    64    68    74   7.00000 -1.0 2.0
   70    68    74    75   0.34800  1.0 3.0
   70    68    74    76   0.34800  1.0 3.0
   70    68    74    77   0.34800  1.0 3.0
   74    68    70    71   0.34800  1.0 3.0
   74    68    70    72   0.34800  1.0 3.0
   74    68    70    73   0.34800  1.0 3.0
   54    50    53    57   3.62500 -1.0 2.0
   54    50    53    59   3.62500 -1.0 2.0
   41    37    40    42   0.15800  1.0 1.0
   41    37    40    42   1.85350 -1.0 2.0
   41    37    40    42  -0.48700  1.0 3.0
   41    37    40    57   0.15800  1.0 1.0
   41    37    40    57   1.85350 -1.0 2.0
   41    37    40    57  -0.48700  1.0 3.0
   41    44   -49    33   2.00000 -1.0 2.0
   41    44    49    51   2.00000 -1.0 2.0
   44    41    45    46   2.00000 -1.0 2.0
   44    49    51    52   7.00000 -1.0 2.0
   44    49    51    56   7.00000 -1.0 2.0
   49    33    37    40   0.09700  1.0 1.0
   49    33    37    40   0.15600 -1.0 2.0
   49    33    37    40  -0.50800  1.0 3.0
   49    33   -37    41  -0.28300  1.0 1.0
   49    33   -37    41   0.26700 -1.0 2.0
   49    33   -37    41  -0.63300  1.0 3.0
   49    33    38    39  -0.07800  1.0 1.0
   49    33    38    39  -0.21500 -1.0 2.0
   49    33    38    39  -0.03150  1.0 3.0
   49    51    56    62   0.15800  1.0 1.0
   49    51    56    62   1.85350 -1.0 2.0
   49    51    56    62  -0.48700  1.0 3.0
   49    51    56    81   0.15800  1.0 1.0
   49    51    56    81   1.85350 -1.0 2.0
   49    51    56    81  -0.48700  1.0 3.0
   51    56    62    63   3.62500 -1.0 2.0
   51    56    62    66   3.62500 -1.0 2.0
   51    56    81    78   3.62500 -1.0 2.0
   51    56    81    82   3.62500 -1.0 2.0
   52    51    56    62   0.56550  1.0 3.0
   52    51    56    81   0.56550  1.0 3.0
   56    62    66    67   3.62500 -1.0 2.0
   56    62    66    69   3.62500 -1.0 2.0
   62    56    81    78   3.62500 -1.0 2.0
   62    56    81    82   3.62500 -1.0 2.0
   62    66   -69    78   3.62500 -1.0 2.0
   62    66    69    79   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    69   3.62500 -1.0 2.0
   66    69    78    81   3.62500 -1.0 2.0
   66    69    78    83   3.62500 -1.0 2.0
   66    69    79    80   0.84100 -1.0 2.0
   67    66    69    78   3.62500 -1.0 2.0
   67    66    69    79   3.62500 -1.0 2.0
   69    78   -81    56   3.62500 -1.0 2.0
   69    78    81    82   3.62500 -1.0 2.0
   69    78    83    84   0.00000  1.0 1.0
   69    78    83    85   0.00000  1.0 1.0
   69    78    83    86   0.18050 -1.0 2.0
   78    69    79    80   0.84100 -1.0 2.0
   78    83    86    87   0.00000  1.0 1.0
   78    83    86    88   1.44450  1.0 1.0
   78    83    86    88   0.06600 -1.0 2.0
   78    83    86    88   0.29250  1.0 3.0
   81    56    62    63   3.62500 -1.0 2.0
   81    56   -62    66   3.62500 -1.0 2.0
   81    78    83    84   0.00000  1.0 1.0
   81    78    83    85   0.00000  1.0 1.0
   81    78    83    86   0.18050 -1.0 2.0
   83    78    81    56   3.62500 -1.0 2.0
   83    78    81    82   3.62500 -1.0 2.0
   83    86    88    89   7.00000 -1.0 2.0
   83    86    88    93   7.00000 -1.0 2.0
   84    83    86    87   0.33100  1.0 3.0
   84    83    86    88   0.00000  1.0 1.0
   85    83    86    87   0.33100  1.0 3.0
   85    83    86    88   0.00000  1.0 1.0
   86    88    89    90   0.00000  1.0 1.0
   86    88    89    91   0.00000  1.0 1.0
   86    88    89    92   0.00000  1.0 1.0
   86    88    93    94   0.00000  1.0 1.0
   86    88    93    95   0.00000  1.0 1.0
   86    88    93    96   0.00000  1.0 1.0
   87    86    88    89   7.00000 -1.0 2.0
   87    86    88    93   7.00000 -1.0 2.0
   89    88    93    94   0.34800  1.0 3.0
   89    88    93    95   0.34800  1.0 3.0
   89    88    93    96   0.34800  1.0 3.0
   93    88    89    90   0.34800  1.0 3.0
   93    88    89    91   0.34800  1.0 3.0
   93    88    89    92   0.34800  1.0 3.0
   79    69    78    81   3.62500 -1.0 2.0
   79    69    78    83   3.62500 -1.0 2.0
   45    41    44    49   2.00000 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    41   0.67800  1.0 1.0
   38    33    37    41   0.47050 -1.0 2.0
   38    33    37    41  -0.62500  1.0 3.0
   38    33    49    44   0.09700  1.0 1.0
   38    33    49    44   0.15600 -1.0 2.0
   38    33    49    44  -0.50800  1.0 3.0
   38    33    49    51   0.67800  1.0 1.0
   38    33    49    51   0.47050 -1.0 2.0
   38    33    49    51  -0.62500  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   42    57    40    37   4.00000 -1.0 2.0
   47    43    42    40   1.10000 -1.0 2.0
   50    48    47    42   1.10000 -1.0 2.0
   53    54    50    47   4.00000 -1.0 2.0
   57    59    53    50   4.00000 -1.0 2.0
   53    58    57    40   1.10000 -1.0 2.0
   59    65    64    68  15.00000 -1.0 2.0
   70    74    68    64  15.00000 -1.0 2.0
   44    45    41    37   1.10000 -1.0 2.0
   33    44    49    51   1.10000 -1.0 2.0
   56    52    51    49   1.10000 -1.0 2.0
   62    81    56    51   4.00000 -1.0 2.0
   66    63    62    56   1.10000 -1.0 2.0
   69    67    66    62   1.10000 -1.0 2.0
   78    79    69    66   4.00000 -1.0 2.0
   81    83    78    69   4.00000 -1.0 2.0
   78    82    81    56   1.10000 -1.0 2.0
   83    87    86    88  15.00000 -1.0 2.0
   89    93    88    86  15.00000 -1.0 2.0
END
