* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    146    244     427
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02155    74.86853   -90.62258
    3     1 S   H    _H1_     3     1.02022   101.73516    15.78936
    4     1 S   H    _H2_     4     1.02124    39.45021   121.02830
    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   _C9_    36     1.83941    98.15542  -178.23431
   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   CA   _C13    37     1.53505   110.22203    59.97804
   38    33 S   CM   _C10    58     1.53537   113.00399  -174.42357
   39    37 S   CA   _C14    38     1.39533   119.96129    66.40048
   40    39 S   HA   _H11    39     1.08727   120.48741    -0.11364
   41    38 S   N4   _N4_    59     1.36840   108.15778   138.78157
   42    38 S   CMA  _C11    77     1.34043   128.84043   -35.91145
   43    42 S   OM   _O33    78     1.38841   118.89061  -180.00000
   44    42 S   OM   _O34    79     1.38947   118.81550    -0.12820
   45    39 S   CA   _C15    40     1.39408   120.00114  -179.96574
   46    45 S   HA   _H12    41     1.08774   119.16556   179.96044
   47    41 S   C4   _C12    60     1.35655   131.03606  -130.65127
   48    47 S   O    _O35    61     1.20885   133.67521   -42.74214
   49    41 S   C4T  _C7_    64     1.46116   113.12778    -6.32527
   50    49 S   HC   _H5_    65     1.09725   111.59937   103.51219
   51    45 S   CA   _C16    42     1.39552   120.01111    -0.03426
   52    47 S   C4T  _C6_    62     1.55163    90.06374   131.44548
   53    52 S   HC   _H4_    63     1.09705   111.93676  -114.79925
   54    33 S   CT   _C8_    66     1.56785   106.11075   -66.93643
   55    54 S   HC   _H9_    67     1.09661   112.52815    85.85240
   56    54 S   HC   _H10    68     1.09733   111.37320   -35.48523
   57    51 S   CA   _C17    43     1.39414   119.95724     0.02798
   58    57 S   HA   _H13    44     1.08817   120.83471  -179.96044
   59    51 S   CA   _C19    47     1.44641   120.00058  -179.96044
   60    52 S   CT   _C5_    69     1.50941   114.81893   117.07449
   61    60 S   HC   _H3_    70     1.09901   110.04075   -60.06252
   62    37 S   CA   _C18    45     1.39459   120.03904  -113.60639
   63    62 S   HA   _H14    46     1.08618   120.46056    -0.02798
   64    59 S   CA   _C20    48     1.39459   119.97715   -90.03235
   65    64 S   HA   _H15    49     1.08736   120.90737     0.03956
   66    60 S   CT   _C4_    71     1.52590   112.34298   178.33728
   67    66 S   HC   _H6_    72     1.09484   111.05225   -57.78920
   68    66 S   HC   _H7_    73     1.09507   110.75801  -178.57962
   69    66 S   HC   _H8_    74     1.09529   110.86003    63.16020
   70    60 S   OH   _O36    75     1.42805   109.71723    57.41015
   71    70 S   HO   _H20    76     0.96871   106.40694  -180.00000
   72    64 S   CA   _C21    50     1.39546   120.01059  -180.00000
   73    72 S   HA   _H16    51     1.08625   119.97697   179.88986
   74    72 S   CA   _C22    52     1.39452   120.00112     0.03426
   75    74 S   HA   _H17    53     1.08588   119.98874   179.84423
   76    74 S   CA   _C23    54     1.39459   119.98831    -0.03426
   77    76 S   HA   _H18    55     1.08661   120.06749   179.88809
   78    59 S   CA   _C24    56     1.39451   120.03453    90.01113
   79    78 S   HA   _H19    57     1.08767   120.85551     0.02798
  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  11   5   4   3
  19   2   1   1  16  14   9   4  13   5   1   1   8   3  10   4
  10   6  11  12   5   4   1   1   6   3  10   7   6   1   1   8
   4   5   3   2   1   1   1   6   3   5   3   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    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    62    38    41    49    54    55    56    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    45    57    62    63    38    41    47    52    49    50    54    55    56    42    43    44  
   35    36  
   36  
    0  
   39    40    45    46    51    57    58    62    63    38    41    49    54    55    56    42  
   41    47    48    52    49    50    54    55    56    42    43    44    39    62  
   40    45    46    51    57    62    63    59    54  
   45    46    51    62  
   47    48    52    53    49    50    54    55    56    60    42    43    44  
   43    44    47    49    54  
   44  
    0  
   46    51    57    58    62    59    64    78  
   51    57    59  
   48    52    53    49    50    54    60    61    66    70  
   52    53    49    60  
   50    54    55    56    60    61    66    70    52    53  
   54    55    56    60    52    53  
   57    58    62    63    59    64    65    72    76    78    79  
   53    54    55    56    60    61    66    67    68    69    70    71  
   54    60    61    66    70  
   55    56    60    62  
   56  
    0  
   58    62    63    59    64    78  
   62    63    59  
   64    65    72    73    74    76    77    78    79    62  
   61    66    67    68    69    70    71  
   66    67    68    69    70    71  
   63  
    0  
   65    72    73    74    75    76    78    79  
   72    73    74    78  
   67    68    69    70    71  
   68    69    70  
   69    70  
   70  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    38   317.000  1.510
   33    54   268.000  1.529
   37    39   469.000  1.400
   37    62   469.000  1.400
   39    40   367.000  1.080
   39    45   469.000  1.400
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    57   469.000  1.400
   51    59   375.000  1.464
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   59    64   469.000  1.400
   59    78   469.000  1.400
   64    65   367.000  1.080
   64    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   38    41   400.000  1.384
   38    42   465.000  1.376
   41    47   440.000  1.369
   41    49   305.000  1.456
   47    48   930.000  1.212
   47    52   250.000  1.540
   52    53   340.000  1.090
   52    49   268.000  1.529
   52    60   260.000  1.519
   49    50   340.000  1.090
   49    54   260.000  1.519
   54    55   340.000  1.090
   54    56   340.000  1.090
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    70   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  1.250
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    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    54    75.00000  111.63000
   33    37    39    70.00000  120.00000
   33    37    62    70.00000  120.00000
   33    38    41    70.00000  113.82800
   33    38    42    70.00000  124.00000
   33    54    49    70.00000  112.98000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   37    39    40    35.00000  120.00000
   37    39    45    63.00000  120.00000
   37    62    57    63.00000  120.00000
   37    62    63    35.00000  120.00000
   39    45    46    35.00000  120.00000
   39    45    51    63.00000  120.00000
   45    39    40    35.00000  120.00000
   45    51    57    63.00000  120.00000
   45    51    59    60.00000  122.76000
   51    45    46    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    62    63.00000  120.00000
   51    59    64    60.00000  122.76000
   51    59    78    60.00000  122.76000
   57    62    63    35.00000  120.00000
   62    37    39    63.00000  120.00000
   62    57    58    35.00000  120.00000
   59    51    57    60.00000  122.76000
   59    64    65    35.00000  120.00000
   59    64    72    63.00000  120.00000
   59    78    76    63.00000  120.00000
   59    78    79    35.00000  120.00000
   64    72    73    35.00000  120.00000
   64    72    74    63.00000  120.00000
   72    64    65    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   78    59    64    63.00000  120.00000
   78    76    77    35.00000  120.00000
   38    33    37    70.00000  112.99600
   38    41    47    50.00000  132.10000
   38    41    49    50.00000  132.70000
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   41    47    48    75.00000  131.60000
   41    47    52    95.00000   92.72400
   41    49    52   105.00000   87.49700
   41    49    50    50.00000  112.01000
   41    49    54    80.00000  110.05700
   47    52    53    40.00000  113.37500
   47    52    49   100.00000   86.36000
   47    52    60    63.00000  111.10000
   52    47    48    60.00000  136.58000
   52    49    50    37.50000  110.70000
   52    49    54    65.00000  119.52000
   52    60    61    45.00000  111.22300
   52    60    66    70.00000  112.98000
   52    60    70    50.00000  109.50000
   49    41    47   100.00000   93.00000
   49    52    53    37.50000  110.70000
   49    54    55    45.00000  111.22300
   49    54    56    45.00000  111.22300
   54    33    37    70.00000  112.17500
   54    33    38    70.00000  112.02700
   54    49    50    45.00000  112.72800
   56    54    55    33.00000  107.80000
   60    52    53    45.00000  112.72800
   60    52    49    65.00000  119.52000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   60    70    71    55.00000  108.50000
   66    60    61    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    66    50.00000  109.50000
   42    38    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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    39  -0.16000  1.0 1.0
   29    33    37    39  -0.03200 -1.0 2.0
   29    33    37    39   0.04500  1.0 3.0
   29    33    37    62  -0.16000  1.0 1.0
   29    33    37    62  -0.03200 -1.0 2.0
   29    33    37    62   0.04500  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    49   0.44750  1.0 1.0
   29    33    54    49  -0.17800 -1.0 2.0
   29    33    54    49   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    45   3.62500 -1.0 2.0
   33    37    62    57   3.62500 -1.0 2.0
   33    37    62    63   3.62500 -1.0 2.0
   33    38    41    47   0.00000  1.0 1.0
   33    38   -41    49   0.00000  1.0 1.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   37    33    38    41  -0.22650  1.0 1.0
   37    33    38    41   0.16900 -1.0 2.0
   37    33    38    41   1.14250  1.0 3.0
   37    33    38    42   1.44450  1.0 1.0
   37    33    38    42   0.06600 -1.0 2.0
   37    33    38    42   0.29250  1.0 3.0
   37    33    54    49  -0.03700  1.0 1.0
   37    33    54    49   0.37200 -1.0 2.0
   37    33    54    49  -0.47300  1.0 3.0
   37    33    54    55   0.43200  1.0 3.0
   37    33    54    56   0.43200  1.0 3.0
   37    39    45    46   3.62500 -1.0 2.0
   37    39    45    51   3.62500 -1.0 2.0
   39    37    62    57   3.62500 -1.0 2.0
   39    37    62    63   3.62500 -1.0 2.0
   39    45   -51    57   3.62500 -1.0 2.0
   39    45    51    59   3.62500 -1.0 2.0
   40    39    45    46   3.62500 -1.0 2.0
   40    39    45    51   3.62500 -1.0 2.0
   45    51    57    58   3.62500 -1.0 2.0
   45    51    57    62   3.62500 -1.0 2.0
   45    51    59    64  -0.19450  1.0 1.0
   45    51    59    64   0.63300 -1.0 2.0
   45    51    59    64   0.07450  1.0 3.0
   45    51    59    78  -0.19450  1.0 1.0
   45    51    59    78   0.63300 -1.0 2.0
   45    51    59    78   0.07450  1.0 3.0
   46    45    51    57   3.62500 -1.0 2.0
   46    45    51    59   3.62500 -1.0 2.0
   51    57   -62    37   3.62500 -1.0 2.0
   51    57    62    63   3.62500 -1.0 2.0
   51    59    64    65   3.62500 -1.0 2.0
   51    59    64    72   3.62500 -1.0 2.0
   51    59    78    76   3.62500 -1.0 2.0
   51    59    78    79   3.62500 -1.0 2.0
   57    51    59    64  -0.19450  1.0 1.0
   57    51    59    64   0.63300 -1.0 2.0
   57    51    59    64   0.07450  1.0 3.0
   57    51    59    78  -0.19450  1.0 1.0
   57    51    59    78   0.63300 -1.0 2.0
   57    51    59    78   0.07450  1.0 3.0
   58    57    62    37   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   62    37    39    40   3.62500 -1.0 2.0
   62    37   -39    45   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   59    51    57    62   3.62500 -1.0 2.0
   59    64    72    73   3.62500 -1.0 2.0
   59    64    72    74   3.62500 -1.0 2.0
   64    59    78    76   3.62500 -1.0 2.0
   64    59    78    79   3.62500 -1.0 2.0
   64    72    74    75   3.62500 -1.0 2.0
   64    72   -74    76   3.62500 -1.0 2.0
   65    64    72    73   3.62500 -1.0 2.0
   65    64    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76   -78    59   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   77    76    78    59   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    59    64    65   3.62500 -1.0 2.0
   78    59   -64    72   3.62500 -1.0 2.0
   38    33    37    39   0.18050 -1.0 2.0
   38    33    37    62   0.18050 -1.0 2.0
   38    33   -54    49   0.34400  1.0 1.0
   38    33   -54    49   0.09450 -1.0 2.0
   38    33   -54    49   0.11100  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   38    41    47    48   3.00000 -1.0 2.0
   38    41    47    52   3.00000 -1.0 2.0
   38    41   -49    52   0.00000  1.0 1.0
   38    41    49    50   0.00000  1.0 1.0
   38    41   -49    54   0.00000  1.0 1.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    44   7.00000 -1.0 2.0
   41    47    52    53   0.00000  1.0 1.0
   41    47   -52    49   3.00000 -1.0 2.0
   41    47    52    60   1.39750  1.0 1.0
   41    47    52    60  -0.07950 -1.0 2.0
   41    47    52    60  -0.18750  1.0 3.0
   41    49   -54    33   0.43900  1.0 1.0
   41    49   -54    33   0.49100 -1.0 2.0
   41    49   -54    33   0.28400  1.0 3.0
   41    49    54    55   0.15000  1.0 3.0
   41    49    54    56   0.15000  1.0 3.0
   47    41   -49    52   0.00000  1.0 1.0
   47    41    49    50   0.00000  1.0 1.0
   47    41    49    54   0.00000  1.0 1.0
   47    52   -49    41   3.00000 -1.0 2.0
   47    52   -49    50   0.15000  1.0 3.0
   47    52   -49    54  -0.95700  1.0 1.0
   47    52   -49    54  -0.18200 -1.0 2.0
   47    52   -49    54   0.29450  1.0 3.0
   47    52    60    61  -0.11250  1.0 3.0
   47    52    60    66  -0.95700  1.0 1.0
   47    52    60    66  -0.18200 -1.0 2.0
   47    52    60    66   0.29450  1.0 3.0
   47    52    60    70  -0.09450  1.0 1.0
   47    52    60    70  -1.12950 -1.0 2.0
   47    52    60    70   0.54000  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    49  -0.11250  1.0 1.0
   48    47    52    49   0.11400 -1.0 2.0
   48    47    52    49  -0.28950  1.0 3.0
   48    47    52    60   0.30150 -1.0 2.0
   52    49    54    33   0.04050  1.0 1.0
   52    49    54    33   0.63700 -1.0 2.0
   52    49    54    33   0.17650  1.0 3.0
   52    49    54    55   0.00000  1.0 1.0
   52    49    54    56   0.00000  1.0 1.0
   52    60    66    67   0.15000  1.0 3.0
   52    60    66    68   0.15000  1.0 3.0
   52    60    66    69   0.15000  1.0 3.0
   52    60    70    71  -0.11600  1.0 1.0
   52    60    70    71  -0.09450 -1.0 2.0
   52    60    70    71   0.21250  1.0 3.0
   53    52   -49    41   0.15000  1.0 3.0
   53    52    49    50   0.15000  1.0 3.0
   53    52    49    54   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    66   0.15000  1.0 3.0
   53    52    60    70   0.23400  1.0 3.0
   49    41   -47    48   3.00000 -1.0 2.0
   49    41   -47    52   3.00000 -1.0 2.0
   49    52    60    61   0.00000  1.0 1.0
   49    52    60    66   0.04050  1.0 1.0
   49    52    60    66   0.63700 -1.0 2.0
   49    52    60    66   0.17650  1.0 3.0
   49    52    60    70   0.86500  1.0 1.0
   49    52    60    70  -0.17500 -1.0 2.0
   49    52    60    70   0.20800  1.0 3.0
   50    49    54    33   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   54    33    37    39   0.04150 -1.0 2.0
   54    33    37    62   0.04150 -1.0 2.0
   54    33   -38    41  -0.93550  1.0 1.0
   54    33   -38    41   0.38900 -1.0 2.0
   54    33   -38    41   0.16950  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   60    52   -49    41   0.43900  1.0 1.0
   60    52   -49    41   0.49100 -1.0 2.0
   60    52   -49    41   0.28400  1.0 3.0
   60    52    49    50   0.15000  1.0 3.0
   60    52    49    54   0.56750  1.0 1.0
   60    52    49    54  -0.07550 -1.0 2.0
   60    52    49    54   0.20000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   61    60    70    71   0.19450  1.0 3.0
   66    60    70    71  -0.11600  1.0 1.0
   66    60    70    71  -0.09450 -1.0 2.0
   66    60    70    71   0.21250  1.0 3.0
   70    60    66    67   0.23400  1.0 3.0
   70    60    66    68   0.23400  1.0 3.0
   70    60    66    69   0.23400  1.0 3.0
   42    38    41    47   0.00000  1.0 1.0
   42    38    41    49   0.00000  1.0 1.0
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
   39    62    37    33   4.00000 -1.0 2.0
   45    40    39    37   1.10000 -1.0 2.0
   51    46    45    39   1.10000 -1.0 2.0
   57    59    51    45   4.00000 -1.0 2.0
   62    58    57    51   1.10000 -1.0 2.0
   57    63    62    37   1.10000 -1.0 2.0
   64    78    59    51   4.00000 -1.0 2.0
   72    65    64    59   1.10000 -1.0 2.0
   74    73    72    64   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   76    79    78    59   1.10000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   49    47    41    38   1.00000 -1.0 2.0
   41    52    47    48  10.50000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
