* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    155    251     457
    1     0 S   NP   _N1_     1    28.06902    97.12568   -24.26422
    2     1 S   H    _HN1     2     1.02776   109.76790  -106.19330
    3     1 S   H    _H1_     3     1.02957    74.51068    -1.86781
    4     1 S   H    _H2_     4     1.02835    33.99327   160.87726
    5     1 S   CT   _CA1     5     1.50134   132.89946   101.77261
    6     5 S   HC   _HA1     6     1.09575   105.20854    90.02882
    7     5 S   CO3  _C1_     7     1.53786   112.37523   -30.15092
    8     7 S   O2Z  _O11     8     1.26367   114.99256   -43.40785
    9     7 S   O2Z  _O12     9     1.26237   114.93444   135.67752
   10     5 S   CT   _CB1    10     1.53096   107.42165  -152.05702
   11    10 S   HC   HB11    11     1.09827   109.32777   -50.41436
   12    10 S   HC   HB12    12     1.09815   110.42779    66.14465
   13    10 S   CT   _CG1    13     1.53016   112.67299  -171.48207
   14    13 S   HC   HG11    14     1.09594   110.49316   -64.61759
   15    13 S   HC   HG12    15     1.09658   109.91072    54.58047
   16    13 S   C    _CD1    16     1.51843   112.32606   174.94984
   17    16 S   O    _OE1    17     1.22750   123.29454     0.69577
   18    16 S   N    _N2_    18     1.38562   111.69962  -179.28127
   19    18 S   H    _HN2    19     1.01551   119.02737     4.33020
   20    18 S   CT1  _CA2    20     1.45845   122.88287   178.01929
   21    20 S   HC   _HA2    21     1.09720   108.92445    24.78489
   22    20 S   C    _C2_    22     1.52912   106.90064   -92.39298
   23    22 S   O    _O2_    23     1.22993   122.98561   -28.22314
   24    20 S   CT   _CB2    32     1.53190   112.21281   148.01102
   25    24 S   HC   HB21    33     1.09492   110.05374    55.10378
   26    24 S   HC   HB22    34     1.09529   110.15108   173.93111
   27    22 S   N    _N3_    24     1.38489   112.63858   154.60794
   28    27 S   H    _HN3    25     1.01662   120.38297    -2.28559
   29    24 S   S    _SG2    35     1.82541   111.17380   -66.08842
   30    27 S   CT   _CA3    26     1.45357   122.40376   178.57234
   31    30 S   HC   HA31    27     1.09572   107.72739   -56.96797
   32    30 S   HC   HA32    28     1.09566   107.66810    59.33077
   33    29 S   CT   _C19    36     1.86401    99.56249   179.91844
   34    33 S   HC   _H6_    37     1.09952   106.61295    35.76334
   35    30 S   CO3  _C3_    29     1.52875   114.40304  -178.90371
   36    35 S   O2Z  _O31    30     1.26321   116.09131    -2.18749
   37    35 S   O2Z  _O32    31     1.26443   114.39755   177.82076
   38    33 S   CT   _C20    38     1.57739   110.94649   154.94740
   39    38 S   OM   _O36    39     1.33011   106.44947   -69.88273
   40    38 S   HC   _H7_    40     1.10207   105.20054    57.73761
   41    38 S   CT   _C12    41     1.59237   112.95791   171.25502
   42    41 S   CA   _C7_    42     1.56723   115.08378  -162.31522
   43    41 S   CT   _C13    57     1.55802   114.51378    71.81626
   44    43 S   HC   _H14    58     1.09658   112.67400    88.28011
   45    43 S   HC   _H15    59     1.09647   111.91045   -32.10542
   46    41 S   CT   _C16    60     1.54592   110.82210   -41.79752
   47    46 S   HC   _H4_    61     1.09891   112.77715   -79.64281
   48    42 S   CA   _C8_    43     1.40184   122.36613   -23.92140
   49    48 S   HA   _H11    44     1.08258   122.72766     1.12292
   50    46 S   CT   _C17    62     1.52649   116.33350    47.09985
   51    50 S   HC   _H20    63     1.09584   112.25546    65.12531
   52    50 S   HC   _H21    64     1.09737   108.59686  -177.07390
   53    48 S   CA   _C9_    45     1.38193   118.90798  -178.95470
   54    33 S   CT   _C18    65     1.54035   108.63419   -80.33791
   55    54 S   HC   _H5_    66     1.09554   110.73721    58.38977
   56    53 S   CA   _C10    46     1.37739   122.81037    -0.06853
   57    54 S   OH   _O37    67     1.42725   110.96338   -61.14887
   58    57 S   HO   _H22    68     0.97236   107.65469   173.03244
   59    56 S   CA   _C5_    47     1.38250   121.09410    -0.07662
   60    56 S   OS   _O34    74     1.36249   111.10859  -179.88465
   61    42 S   CA   _C6_    48     1.43594   119.48769   157.24024
   62    59 S   OS   _O33    69     1.36709   127.14689  -179.37568
   63    60 S   CO   _C11    75     1.43810   101.99433    -0.08847
   64    63 S   HC   _H12    76     1.09602   108.72584  -120.83177
   65    63 S   HC   _H13    77     1.09601   108.72167   121.02371
   66    61 S   CT   _C15    49     1.51563   119.55879    -2.86894
   67    66 S   HC   _H18    50     1.09556   111.76369   129.09252
   68    66 S   HC   _H19    51     1.09633   109.78270  -109.99172
   69    62 S   CT   _C4_    70     1.42037   118.41796    -0.22555
   70    69 S   HC   _H8_    71     1.09449   107.61659  -179.95154
   71    69 S   HC   _H9_    72     1.09454   111.20739    62.69538
   72    69 S   HC   _H10    73     1.09454   111.20737   -62.60443
   73    53 S   OS   _O35    78     1.36353   124.33680  -180.00000
   74    66 S   NP   _N4_    52     1.51044   113.37302     8.35818
   75    74 S   H    _H3_    53     1.02861   108.78096  -168.36050
   76    74 S   CT   _C14    54     1.51656   111.65321    69.73730
   77    76 S   HC   _H16    55     1.09456   107.20117   145.05318
   78    76 S   HC   _H17    56     1.09422   109.62100    26.43274
  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  10   5   4   3
  15   8   2   1   1  17   6   5  21  19  13   6   5  17   8   9
   4  10   5   4   9   4   2  10   1   1  13   6   8   5   3   2
   1   7   4   3   3   2   1   1   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    54    55    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    50    51    52    54    55    57    58  
   38    39    40    41    50    54    55    57  
   36    37  
   37  
    0  
   39    40    41    42    48    61    74    76    43    44    45    46    47    50    54    55    57  
   40    41    42    43    46    54  
   41    42    43    46    54  
   42    48    49    53    59    61    66    74    75    76    77    78    43    44    45    46    47    50    51    52    54  
   48    49    53    56    59    61    66    67    68    74    76    43    44    45    46    47    50    62    73  
   44    45    46    47    50    48    61    66    74    75    76    77    78  
   45    46    74    76    77    78  
   46    74    76    77    78  
   47    50    51    52    54    55    57    48    61    66    67    68    74    75    76    77    78  
   50    51    52    54    66    74    75    76  
   49    53    56    59    61    66    60    63    73  
   53    56    61    73  
   51    52    54    55    57    58    66    74    75    76  
   52    54    55    57    74  
   54    55    57    74  
   56    59    61    62    60    63    64    65    73  
   55    57    58    74  
   57    58  
   59    61    66    62    69    60    63    64    65    73  
   58  
    0  
   61    66    67    68    74    62    69    70    71    72    60    63    73  
   63    64    65    73    61    62  
   66    67    68    74    75    76    62    69  
   69    70    71    72    66  
   64    65    73  
   65    73  
   73  
   67    68    74    75    76    77    78  
   68    74    75    76  
   74    75    76  
   70    71    72  
   71    72  
   72  
    0  
    0  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   75   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    46   268.000  1.529
   42    48   469.000  1.400
   42    61   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    56   469.000  1.400
   53    73   450.000  1.364
   56    59   469.000  1.400
   56    60   450.000  1.364
   59    61   469.000  1.400
   59    62   450.000  1.364
   61    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   367.000  1.471
   74    75   434.000  1.010
   74    76   367.000  1.471
   74    46   367.000  1.471
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    57   320.000  1.410
   57    58   553.000  0.945
   62    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   60    63   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    73   320.000  1.380
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    54    50    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.17500
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    48    70.00000  120.00000
   41    42    61    70.00000  120.00000
   41    43    76    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    46    74    80.00000  111.20000
   41    46    47    37.50000  110.70000
   41    46    50    58.35000  112.70000
   42    48    49    35.00000  120.00000
   42    48    53    63.00000  120.00000
   42    61    59    63.00000  120.00000
   42    61    66    70.00000  120.00000
   48    53    56    63.00000  120.00000
   48    53    73    70.00000  120.00000
   53    48    49    35.00000  120.00000
   53    56    59    63.00000  120.00000
   53    56    60    70.00000  120.00000
   53    73    63   100.00000  112.36700
   56    59    61    63.00000  120.00000
   56    59    62    70.00000  120.00000
   56    60    63   100.00000  112.36700
   59    61    66    70.00000  120.00000
   59    62    69    75.00000  111.00000
   61    42    48    63.00000  120.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    74    75.00000  110.83300
   66    74    75    35.00000  109.50000
   66    74    76    75.00000  113.01200
   66    74    46    75.00000  113.01200
   68    66    67    33.00000  107.80000
   74    66    67    35.00000  109.50000
   74    66    68    35.00000  109.50000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    43    80.00000  111.20000
   74    46    47    35.00000  109.50000
   74    46    50    80.00000  111.20000
   76    74    75    35.00000  109.50000
   76    43    44    37.50000  110.70000
   76    43    45    37.50000  110.70000
   78    76    77    33.00000  107.80000
   43    41    42    70.00000  112.17500
   43    76    77    37.50000  110.70000
   43    76    78    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    41    42    70.00000  112.17500
   46    41    43    58.35000  112.70000
   46    74    75    35.00000  109.50000
   46    74    76    75.00000  113.01200
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    57    50.00000  109.50000
   52    50    51    33.00000  107.80000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    57    58    55.00000  108.50000
   57    54    55    35.00000  109.50000
   62    59    61    70.00000  120.00000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   60    56    59    70.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    73    92.60000  111.55000
   65    63    64    33.00000  109.50000
   73    53    56    70.00000  120.00000
   73    63    64    35.00000  109.50000
   73    63    65    35.00000  109.50000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   33    38    41    42  -0.03700  1.0 1.0
   33    38    41    42   0.37200 -1.0 2.0
   33    38    41    42  -0.47300  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    54    57    58  -0.11600  1.0 1.0
   33    54    57    58  -0.09450 -1.0 2.0
   33    54    57    58   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    57   0.23400  1.0 3.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    57   0.86500  1.0 1.0
   38    33    54    57  -0.17500 -1.0 2.0
   38    33    54    57   0.20800  1.0 3.0
   38    41    42    48   0.04150 -1.0 2.0
   38    41    42    61   0.04150 -1.0 2.0
   38    41    43    76   0.56750  1.0 1.0
   38    41    43    76  -0.07550 -1.0 2.0
   38    41    43    76   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41    46    74   1.36600  1.0 1.0
   38    41    46    74  -0.11450 -1.0 2.0
   38    41    46    74   0.24250  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41   -46    50   0.56750  1.0 1.0
   38    41   -46    50  -0.07550 -1.0 2.0
   38    41   -46    50   0.20000  1.0 3.0
   39    38    41    42  -0.64350  1.0 1.0
   39    38    41    42  -0.04200 -1.0 2.0
   39    38    41    42   0.19800  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   0.62750  1.0 1.0
   39    38    41    46  -0.30950 -1.0 2.0
   39    38    41    46   0.27300  1.0 3.0
   40    38    41    42   0.43200  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    42    48    49   3.62500 -1.0 2.0
   41    42    48    53   3.62500 -1.0 2.0
   41    42    61    59   3.62500 -1.0 2.0
   41    42    61    66   3.62500 -1.0 2.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    52   0.15000  1.0 3.0
   41    46    50    54   0.56750  1.0 1.0
   41    46    50    54  -0.07550 -1.0 2.0
   41    46    50    54   0.20000  1.0 3.0
   42    41    43    76  -0.03700  1.0 1.0
   42    41    43    76   0.37200 -1.0 2.0
   42    41    43    76  -0.47300  1.0 3.0
   42    41    43    44   0.43200  1.0 3.0
   42    41    43    45   0.43200  1.0 3.0
   42    41    46    74   1.24050  1.0 1.0
   42    41    46    74   0.48100 -1.0 2.0
   42    41    46    74   1.08150  1.0 3.0
   42    41    46    47   0.43200  1.0 3.0
   42    41    46    50  -0.03700  1.0 1.0
   42    41    46    50   0.37200 -1.0 2.0
   42    41    46    50  -0.47300  1.0 3.0
   42    48    53    56   3.62500 -1.0 2.0
   42    48    53    73   3.62500 -1.0 2.0
   42    61    66    67   0.00000  1.0 1.0
   42    61    66    68   0.00000  1.0 1.0
   42    61   -66    74  -0.46400 -1.0 2.0
   48    42    61    59   3.62500 -1.0 2.0
   48    42    61    66   3.62500 -1.0 2.0
   48    53   -56    59   3.62500 -1.0 2.0
   48    53    56    60   3.62500 -1.0 2.0
   48    53    73    63   1.63200 -1.0 2.0
   49    48    53    56   3.62500 -1.0 2.0
   49    48    53    73   3.62500 -1.0 2.0
   53    56    59    61   3.62500 -1.0 2.0
   53    56    59    62   3.62500 -1.0 2.0
   53    56   -60    63   1.63200 -1.0 2.0
   56    53   -73    63   1.63200 -1.0 2.0
   56    59   -61    42   3.62500 -1.0 2.0
   56    59    61    66   3.62500 -1.0 2.0
   56    59    62    69   1.63200 -1.0 2.0
   56    60    63    64   0.08050  1.0 3.0
   56    60    63    65   0.08050  1.0 3.0
   56    60   -63    73  -0.25600  1.0 1.0
   56    60   -63    73  -0.40050 -1.0 2.0
   56    60   -63    73   0.34700  1.0 3.0
   59    56    60    63   1.63200 -1.0 2.0
   59    61    66    67   0.00000  1.0 1.0
   59    61    66    68   0.00000  1.0 1.0
   59    61    66    74  -0.46400 -1.0 2.0
   59    62    69    70   0.08050  1.0 3.0
   59    62    69    71   0.08050  1.0 3.0
   59    62    69    72   0.08050  1.0 3.0
   61    42    48    49   3.62500 -1.0 2.0
   61    42   -48    53   3.62500 -1.0 2.0
   61    59    62    69   1.63200 -1.0 2.0
   61    66    74    75   0.17350  1.0 3.0
   61    66    74    76   0.03550  1.0 1.0
   61    66    74    76   0.09800 -1.0 2.0
   61    66    74    46   0.03550  1.0 1.0
   61    66    74    46   0.09800 -1.0 2.0
   66    74    76    77   0.15000  1.0 3.0
   66    74    76    78   0.15000  1.0 3.0
   66    74    76    43   0.47100  1.0 1.0
   66    74   -46    41   0.47100  1.0 1.0
   66    74    46    47   0.15000  1.0 3.0
   66    74    46    50   0.47100  1.0 1.0
   67    66    74    75   0.13050  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    46   0.15000  1.0 3.0
   68    66    74    75   0.13050  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    46   0.15000  1.0 3.0
   74    76   -43    41   1.36600  1.0 1.0
   74    76   -43    41  -0.11450 -1.0 2.0
   74    76   -43    41   0.24250  1.0 3.0
   74    76    43    44   0.19200  1.0 3.0
   74    76    43    45   0.19200  1.0 3.0
   74    46    50    51   0.19200  1.0 3.0
   74    46    50    52   0.19200  1.0 3.0
   74    46    50    54   1.36600  1.0 1.0
   74    46    50    54  -0.11450 -1.0 2.0
   74    46    50    54   0.24250  1.0 3.0
   75    74    76    77   0.13050  1.0 3.0
   75    74    76    78   0.13050  1.0 3.0
   75    74    76    43   0.17350  1.0 3.0
   75    74    46    41   0.17350  1.0 3.0
   75    74    46    47   0.13050  1.0 3.0
   75    74    46    50   0.17350  1.0 3.0
   76    74   -46    41   0.47100  1.0 1.0
   76    74    46    47   0.15000  1.0 3.0
   76    74    46    50   0.47100  1.0 1.0
   77    76    43    41   0.15000  1.0 3.0
   77    76    43    44   0.15000  1.0 3.0
   77    76    43    45   0.15000  1.0 3.0
   78    76    43    41   0.15000  1.0 3.0
   78    76    43    44   0.15000  1.0 3.0
   78    76    43    45   0.15000  1.0 3.0
   43    41    42    48   0.04150 -1.0 2.0
   43    41    42    61   0.04150 -1.0 2.0
   43    41   -46    74   1.36600  1.0 1.0
   43    41   -46    74  -0.11450 -1.0 2.0
   43    41   -46    74   0.24250  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    50   0.56750  1.0 1.0
   43    41    46    50  -0.07550 -1.0 2.0
   43    41    46    50   0.20000  1.0 3.0
   46    41    42    48   0.04150 -1.0 2.0
   46    41   -42    61   0.04150 -1.0 2.0
   46    41   -43    76   0.56750  1.0 1.0
   46    41   -43    76  -0.07550 -1.0 2.0
   46    41   -43    76   0.20000  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    74    76    77   0.15000  1.0 3.0
   46    74    76    78   0.15000  1.0 3.0
   46    74   -76    43   0.47100  1.0 1.0
   46    50   -54    33   0.56750  1.0 1.0
   46    50   -54    33  -0.07550 -1.0 2.0
   46    50   -54    33   0.20000  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    57   0.86500  1.0 1.0
   46    50    54    57  -0.17500 -1.0 2.0
   46    50    54    57   0.20800  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   50    54    57    58  -0.11600  1.0 1.0
   50    54    57    58  -0.09450 -1.0 2.0
   50    54    57    58   0.21250  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.23400  1.0 3.0
   52    50    54    33   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.23400  1.0 3.0
   54    33    38    39   0.62750  1.0 1.0
   54    33    38    39  -0.30950 -1.0 2.0
   54    33    38    39   0.27300  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33   -38    41   0.56750  1.0 1.0
   54    33   -38    41  -0.07550 -1.0 2.0
   54    33   -38    41   0.20000  1.0 3.0
   55    54    57    58   0.19450  1.0 3.0
   62    59    61    42   3.62500 -1.0 2.0
   62    59    61    66   3.62500 -1.0 2.0
   60    56    59    61   3.62500 -1.0 2.0
   60    56    59    62   3.62500 -1.0 2.0
   60    63   -73    53  -0.25600  1.0 1.0
   60    63   -73    53  -0.40050 -1.0 2.0
   60    63   -73    53   0.34700  1.0 3.0
   64    63    73    53   0.08050  1.0 3.0
   65    63    73    53   0.08050  1.0 3.0
   73    53    56    59   3.62500 -1.0 2.0
   73    53   -56    60   3.62500 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   48    61    42    41   4.00000 -1.0 2.0
   53    49    48    42   1.10000 -1.0 2.0
   56    73    53    48   4.00000 -1.0 2.0
   59    60    56    53   4.00000 -1.0 2.0
   61    62    59    56   4.00000 -1.0 2.0
   59    66    61    42   4.00000 -1.0 2.0
END
