* LIGAND DATABASE FILE (OPLS2005)
*
001      89    93    160    268     482
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    88.93779   -70.84416
    3     1 S   H    _H1_     3     1.02119    91.59419    37.81884
    4     1 S   H    _H2_     4     1.02140    32.89776   160.96366
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   CO   _C12    36     1.83951    97.60860  -178.15284
   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   CT   _C11    37     1.52896   112.05012  -179.97202
   38    37 S   HC   _H9_    38     1.10447   108.89713   -51.61844
   39    37 S   HC   _H10    39     1.10305   111.31965  -169.42675
   40    33 S   OH   _O39    88     1.43279   108.40866    63.48791
   41    40 S   HO   _H21    89     0.96895   106.39133  -179.58175
   42    37 S   CT   _C10    40     1.53708   112.86707    66.91044
   43    42 S   HC   _H3_    41     1.11105   106.21928   -80.72011
   44    42 S   CA   _C9_    42     1.52510   108.29198   166.01903
   45    42 S   CA   _C14    55     1.52347   111.07852    38.14582
   46    44 S   CA   _C4_    43     1.39529   119.95246   -66.47452
   47    46 S   HA   _H6_    44     1.08619   120.55620     0.00000
   48    45 S   CA   _C13    56     1.40423   119.89648    -8.70012
   49    46 S   CA   _C5_    45     1.39488   119.94742   179.88131
   50    49 S   HA   _H7_    46     1.08674   119.61629  -179.98022
   51    48 S   CA   _C18    57     1.39656   120.81323   178.20060
   52    51 S   HA   _H11    58     1.08743   119.92766  -177.35662
   53    33 S   OS   _O33    87     1.43623   112.03645   -55.84442
   54    49 S   CA   _C6_    47     1.39513   120.04674    -0.01978
   55    51 S   CA   _C17    59     1.39102   120.25728     2.20522
   56    54 S   CA   _C7_    48     1.39474   119.96073     0.04846
   57    54 S   OH   _O41    53     1.36215   119.45687   179.97202
   58    57 S   HO   _H23    54     0.97012   110.14373     0.06853
   59    55 S   CA   _C16    60     1.39814   120.37463     0.37587
   60    55 S   OH   _O34    85     1.36424   118.62933  -179.48376
   61    60 S   HO   _H12    86     0.96915   110.13616    -0.07913
   62    44 S   CA   _C8_    49     1.39401   119.99811   113.42851
   63    62 S   HA   _H8_    50     1.08746   120.19698     0.07913
   64    56 S   OH   _O40    51     1.36233   120.53849   179.96044
   65    64 S   HO   _H22    52     0.97006   110.24746  -179.96044
   66    45 S   CA   _C15    61     1.41426   121.92490   174.52754
   67    66 S   OS   _O35    62     1.37411   116.99103     0.82614
   68    67 S   CT   _C21    63     1.43430   115.82778   163.73995
   69    68 S   HC   _H5_    64     1.10625   107.80099   -71.81404
   70    68 S   CA   _C22    65     1.51647   108.99679   173.42932
   71    68 S   CT   _C20    78     1.53175   111.79411    48.66598
   72    71 S   HC   _H4_    79     1.09762   111.19452   177.28279
   73    70 S   CA   _C23    66     1.39477   119.98512   -34.16643
   74    73 S   HA   _H15    67     1.08699   120.54681     0.00000
   75    59 S   CT   _C19    80     1.50588   118.95007   178.68107
   76    75 S   HC   _H13    81     1.09850   108.05656   -72.32454
   77    75 S   HC   _H14    82     1.09809   109.86270    45.91976
   78    71 S   OH   _O38    83     1.42769   110.37886    58.21524
   79    78 S   HO   _H20    84     0.96902   106.30981  -179.70658
   80    73 S   CA   _C24    68     1.39524   120.02165   179.87646
   81    80 S   HA   _H16    69     1.08596   119.62167  -180.00000
   82    80 S   CA   _C25    70     1.39545   119.96336     0.01978
   83    82 S   CA   _C26    71     1.39496   119.97470    -0.02798
   84    82 S   OH   _O37    76     1.36197   119.38416   179.97202
   85    84 S   HO   _H19    77     0.97000   110.24880    -0.00000
   86    70 S   CA   _C27    72     1.39455   120.04244   145.71149
   87    86 S   HA   _H17    73     1.08773   120.12171     0.09487
   88    83 S   OH   _O36    74     1.36243   120.49159   179.95577
   89    88 S   HO   _H18    75     0.96994   110.24609  -179.92338
  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
  12   2   1   1  13   7   6   4   1  15   6  12  12   8   4   8
   7   3   8   4   2   7   9   6   3   1  11   3   1   3   1   1
   1   8   9  15   7  13   8   5   8   4   4   2   1   1   1   7
   3   7   6   3   1   3   1   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    48    53    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    45    48    51    53    40    41  
   35    36  
   36  
    0  
   38    39    42    43    44    46    62    45    48    66    53    40    41  
   39    42    43    44    45    53    40  
   42    43    44    45    53    40  
   41    42    48    53  
   53  
   43    44    46    47    49    56    62    63    45    48    51    59    66    67    53  
   44    46    62    45    48    66  
   46    47    49    50    54    56    62    63    64    45    48    66  
   48    51    52    55    59    66    67    68    75    53    46    62  
   47    49    50    54    56    62    63    57  
   49    50    54    62  
   51    52    55    59    66    67    60    53  
   50    54    56    62    64    57    58  
   54    56    57  
   52    55    59    66    75    60    61    53  
   55    59    60    53  
   55    66  
   56    62    63    64    65    57    58  
   59    66    67    71    75    76    77    60    61  
   62    63    64    65    57    58  
   58    62    64  
    0  
   66    67    68    71    72    75    76    77    78    60    61  
   61    66    75  
    0  
   63    64    65  
   64  
   65  
    0  
   67    68    69    70    71    75    76    77  
   68    69    70    73    86    71    72    75    78  
   69    70    73    74    80    83    86    87    71    72    75    76    77    78    79  
   70    73    86    71    72    75    78  
   73    74    80    81    82    83    86    87    88    71    72    75    78  
   72    75    76    77    78    79    73    86  
   75    76    77    78    79  
   74    80    81    82    83    86    87    84  
   80    81    82    86  
   76    77    78    79  
   77    78  
   78  
   79  
    0  
   81    82    83    86    88    84    85  
   82    83    84  
   83    86    87    88    89    84    85  
   86    87    88    89    84    85  
   85    86    88  
    0  
   87    88    89  
   88  
   89  
    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  -0.175000   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   0.372200   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   250.000  1.527
   33    53   320.000  1.380
   33    40   380.000  1.407
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   317.000  1.510
   42    45   317.000  1.510
   44    46   469.000  1.400
   44    62   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    56   469.000  1.400
   54    57   450.000  1.364
   56    62   469.000  1.400
   56    64   450.000  1.364
   62    63   367.000  1.080
   64    65   553.000  0.945
   57    58   553.000  0.945
   45    48   469.000  1.400
   45    66   469.000  1.400
   48    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    59   469.000  1.400
   55    60   450.000  1.364
   59    66   469.000  1.400
   59    75   317.000  1.510
   66    67   450.000  1.364
   67    68   320.000  1.410
   68    69   340.000  1.090
   68    70   317.000  1.510
   68    71   268.000  1.529
   70    73   469.000  1.400
   70    86   469.000  1.400
   73    74   367.000  1.080
   73    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   469.000  1.400
   82    84   450.000  1.364
   83    86   469.000  1.400
   83    88   450.000  1.364
   86    87   367.000  1.080
   88    89   553.000  0.945
   84    85   553.000  0.945
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    78   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   78    79   553.000  0.945
   60    61   553.000  0.945
   40    41   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  111.63000
   29    33    53    85.00000  114.68000
   29    33    40    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    42    75.00000  109.43000
   33    53    48   100.00000  112.36700
   33    40    41    70.00000  107.92000
   37    42    43    37.50000  110.70000
   37    42    44    70.00000  112.17500
   37    42    45    70.00000  112.17500
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    44    46    70.00000  120.00000
   42    44    62    70.00000  120.00000
   42    45    48    70.00000  120.00000
   42    45    66    70.00000  120.00000
   44    42    43    35.00000  109.50000
   44    46    47    35.00000  120.00000
   44    46    49    63.00000  120.00000
   44    62    56    63.00000  120.00000
   44    62    63    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    54    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    54    56    63.00000  120.00000
   49    54    57    70.00000  120.00000
   54    49    50    35.00000  120.00000
   54    56    62    63.00000  120.00000
   54    56    64    70.00000  120.00000
   54    57    58    35.00000  113.00000
   56    62    63    35.00000  120.00000
   56    64    65    35.00000  113.00000
   62    44    46    63.00000  120.00000
   64    56    62    70.00000  120.00000
   57    54    56    70.00000  120.00000
   45    42    43    35.00000  109.50000
   45    42    44    70.00000  112.04700
   45    48    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   45    66    59    63.00000  120.00000
   45    66    67    70.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   51    55    59    63.00000  120.00000
   51    55    60    70.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    66    63.00000  120.00000
   55    59    75    70.00000  120.00000
   55    60    61    35.00000  113.00000
   59    66    67    70.00000  120.00000
   59    75    71    70.00000  112.17500
   59    75    76    35.00000  109.50000
   59    75    77    35.00000  109.50000
   66    45    48    63.00000  120.00000
   66    67    68    75.00000  111.00000
   67    68    69    35.00000  109.50000
   67    68    70    85.00000  111.85700
   67    68    71    50.00000  109.50000
   68    70    73    70.00000  120.00000
   68    70    86    70.00000  120.00000
   68    71    72    37.50000  110.70000
   68    71    75    58.35000  112.70000
   68    71    78    50.00000  109.50000
   70    68    69    35.00000  109.50000
   70    73    74    35.00000  120.00000
   70    73    80    63.00000  120.00000
   70    86    83    63.00000  120.00000
   70    86    87    35.00000  120.00000
   73    80    81    35.00000  120.00000
   73    80    82    63.00000  120.00000
   80    73    74    35.00000  120.00000
   80    82    83    63.00000  120.00000
   80    82    84    70.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    86    63.00000  120.00000
   82    83    88    70.00000  120.00000
   82    84    85    35.00000  113.00000
   83    86    87    35.00000  120.00000
   83    88    89    35.00000  113.00000
   86    70    73    63.00000  120.00000
   88    83    86    70.00000  120.00000
   84    82    83    70.00000  120.00000
   71    68    69    37.50000  110.70000
   71    68    70    70.00000  112.17500
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    78    79    55.00000  108.50000
   75    59    66    70.00000  120.00000
   75    71    72    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    71    72    35.00000  109.50000
   78    71    75    50.00000  109.50000
   60    55    59    70.00000  120.00000
   53    33    37    90.00000  108.56700
   53    48    51    70.00000  120.00000
   40    33    37    90.00000  110.19100
   40    33    53   110.00000  112.08000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.13850  1.0 1.0
   24    29    33    53  -1.34450 -1.0 2.0
   24    29    33    53   0.57400  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    53    48   0.14700  1.0 1.0
   29    33    53    48  -1.16150 -1.0 2.0
   29    33    53    48   0.48700  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44  -0.03700  1.0 1.0
   33    37    42    44   0.37200 -1.0 2.0
   33    37    42    44  -0.47300  1.0 3.0
   33    37    42    45  -0.03700  1.0 1.0
   33    37    42    45   0.37200 -1.0 2.0
   33    37    42    45  -0.47300  1.0 3.0
   37    33    53    48  -0.32850  1.0 1.0
   37    33    53    48  -0.35800 -1.0 2.0
   37    33    53    48   0.33950  1.0 3.0
   37    33    40    41  -0.11600  1.0 1.0
   37    33    40    41  -0.09450 -1.0 2.0
   37    33    40    41   0.21250  1.0 3.0
   37    42    44    46   0.04150 -1.0 2.0
   37    42    44    62   0.04150 -1.0 2.0
   37    42   -45    48   0.04150 -1.0 2.0
   37    42    45    66   0.04150 -1.0 2.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.43200  1.0 3.0
   38    37    42    45   0.43200  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    44   0.43200  1.0 3.0
   39    37    42    45   0.43200  1.0 3.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    49   3.62500 -1.0 2.0
   42    44    62    56   3.62500 -1.0 2.0
   42    44    62    63   3.62500 -1.0 2.0
   42    45    48    51   3.62500 -1.0 2.0
   42    45    48    53   3.62500 -1.0 2.0
   42    45    66    59   3.62500 -1.0 2.0
   42    45    66    67   3.62500 -1.0 2.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    62   0.00000  1.0 1.0
   43    42    45    48   0.00000  1.0 1.0
   43    42    45    66   0.00000  1.0 1.0
   44    42    45    48   0.04300 -1.0 2.0
   44    42    45    66   0.04300 -1.0 2.0
   44    46    49    50   3.62500 -1.0 2.0
   44    46    49    54   3.62500 -1.0 2.0
   46    44    62    56   3.62500 -1.0 2.0
   46    44    62    63   3.62500 -1.0 2.0
   46    49   -54    56   3.62500 -1.0 2.0
   46    49    54    57   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    54    56    62   3.62500 -1.0 2.0
   49    54    56    64   3.62500 -1.0 2.0
   49    54    57    58   0.84100 -1.0 2.0
   50    49    54    56   3.62500 -1.0 2.0
   50    49    54    57   3.62500 -1.0 2.0
   54    56   -62    44   3.62500 -1.0 2.0
   54    56    62    63   3.62500 -1.0 2.0
   54    56    64    65   0.84100 -1.0 2.0
   56    54    57    58   0.84100 -1.0 2.0
   62    44    46    47   3.62500 -1.0 2.0
   62    44   -46    49   3.62500 -1.0 2.0
   62    56    64    65   0.84100 -1.0 2.0
   64    56    62    44   3.62500 -1.0 2.0
   64    56    62    63   3.62500 -1.0 2.0
   57    54    56    62   3.62500 -1.0 2.0
   57    54    56    64   3.62500 -1.0 2.0
   45    42    44    46   0.04300 -1.0 2.0
   45    42    44    62   0.04300 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    55   3.62500 -1.0 2.0
   45    48   -53    33   1.63200 -1.0 2.0
   45    66    67    68   1.63200 -1.0 2.0
   48    45    66    59   3.62500 -1.0 2.0
   48    45    66    67   3.62500 -1.0 2.0
   48    51   -55    59   3.62500 -1.0 2.0
   48    51    55    60   3.62500 -1.0 2.0
   51    48    53    33   1.63200 -1.0 2.0
   51    55    59    66   3.62500 -1.0 2.0
   51    55    59    75   3.62500 -1.0 2.0
   51    55    60    61   0.84100 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   52    51    55    60   3.62500 -1.0 2.0
   55    59   -66    45   3.62500 -1.0 2.0
   55    59    66    67   3.62500 -1.0 2.0
   55    59    75    71   0.04150 -1.0 2.0
   55    59    75    76   0.00000  1.0 1.0
   55    59    75    77   0.00000  1.0 1.0
   59    55    60    61   0.84100 -1.0 2.0
   59    66    67    68   1.63200 -1.0 2.0
   66    45   -48    51   3.62500 -1.0 2.0
   66    45    48    53   3.62500 -1.0 2.0
   66    59    75    71   0.04150 -1.0 2.0
   66    59    75    76   0.00000  1.0 1.0
   66    59    75    77   0.00000  1.0 1.0
   66    67    68    69   0.08050  1.0 3.0
   66    67    68    70  -0.50150  1.0 1.0
   66    67    68    70  -0.23050 -1.0 2.0
   66    67    68    70   0.70600  1.0 3.0
   66    67   -68    71  -0.32850  1.0 1.0
   66    67   -68    71  -0.35800 -1.0 2.0
   66    67   -68    71   0.33950  1.0 3.0
   67    68    70    73   0.64500  1.0 1.0
   67    68    70    73   0.14800 -1.0 2.0
   67    68    70    73   0.20650  1.0 3.0
   67    68    70    86   0.64500  1.0 1.0
   67    68    70    86   0.14800 -1.0 2.0
   67    68    70    86   0.20650  1.0 3.0
   67    68    71    72   0.23400  1.0 3.0
   67    68    71    75   0.62750  1.0 1.0
   67    68    71    75  -0.30950 -1.0 2.0
   67    68    71    75   0.27300  1.0 3.0
   67    68    71    78   3.69350  1.0 1.0
   67    68    71    78  -1.82950 -1.0 2.0
   68    70    73    74   3.62500 -1.0 2.0
   68    70    73    80   3.62500 -1.0 2.0
   68    70    86    83   3.62500 -1.0 2.0
   68    70    86    87   3.62500 -1.0 2.0
   68    71   -75    59  -0.03700  1.0 1.0
   68    71   -75    59   0.37200 -1.0 2.0
   68    71   -75    59  -0.47300  1.0 3.0
   68    71    75    76   0.15000  1.0 3.0
   68    71    75    77   0.15000  1.0 3.0
   68    71    78    79  -0.11600  1.0 1.0
   68    71    78    79  -0.09450 -1.0 2.0
   68    71    78    79   0.21250  1.0 3.0
   69    68    70    73   0.00000  1.0 1.0
   69    68    70    86   0.00000  1.0 1.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    75   0.15000  1.0 3.0
   69    68    71    78   0.23400  1.0 3.0
   70    68    71    72   0.43200  1.0 3.0
   70    68    71    75  -0.03700  1.0 1.0
   70    68    71    75   0.37200 -1.0 2.0
   70    68    71    75  -0.47300  1.0 3.0
   70    68    71    78   1.13150  1.0 1.0
   70    68    71    78  -1.01400 -1.0 2.0
   70    73    80    81   3.62500 -1.0 2.0
   70    73    80    82   3.62500 -1.0 2.0
   73    70    86    83   3.62500 -1.0 2.0
   73    70    86    87   3.62500 -1.0 2.0
   73    80   -82    83   3.62500 -1.0 2.0
   73    80    82    84   3.62500 -1.0 2.0
   74    73    80    81   3.62500 -1.0 2.0
   74    73    80    82   3.62500 -1.0 2.0
   80    82    83    86   3.62500 -1.0 2.0
   80    82    83    88   3.62500 -1.0 2.0
   80    82    84    85   0.84100 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    83   -86    70   3.62500 -1.0 2.0
   82    83    86    87   3.62500 -1.0 2.0
   82    83    88    89   0.84100 -1.0 2.0
   83    82    84    85   0.84100 -1.0 2.0
   86    70    73    74   3.62500 -1.0 2.0
   86    70   -73    80   3.62500 -1.0 2.0
   86    83    88    89   0.84100 -1.0 2.0
   88    83    86    70   3.62500 -1.0 2.0
   88    83    86    87   3.62500 -1.0 2.0
   84    82    83    86   3.62500 -1.0 2.0
   84    82    83    88   3.62500 -1.0 2.0
   71    68    70    73   0.04150 -1.0 2.0
   71    68    70    86   0.04150 -1.0 2.0
   72    71    75    59   0.43200  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    78    79   0.19450  1.0 3.0
   75    59    66    45   3.62500 -1.0 2.0
   75    59   -66    67   3.62500 -1.0 2.0
   75    71    78    79  -0.11600  1.0 1.0
   75    71    78    79  -0.09450 -1.0 2.0
   75    71    78    79   0.21250  1.0 3.0
   78    71    75    59   1.13150  1.0 1.0
   78    71    75    59  -1.01400 -1.0 2.0
   78    71    75    76   0.23400  1.0 3.0
   78    71    75    77   0.23400  1.0 3.0
   60    55    59    66   3.62500 -1.0 2.0
   60    55    59    75   3.62500 -1.0 2.0
   53    33    37    38   0.23400  1.0 3.0
   53    33    37    39   0.23400  1.0 3.0
   53    33   -37    42   0.62750  1.0 1.0
   53    33   -37    42  -0.30950 -1.0 2.0
   53    33   -37    42   0.27300  1.0 3.0
   53    33    40    41  -0.50000  1.0 1.0
   53    33    40    41  -0.73950 -1.0 2.0
   53    33    40    41   0.17150  1.0 3.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    55   3.62500 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    42   0.86500  1.0 1.0
   40    33    37    42  -0.17500 -1.0 2.0
   40    33    37    42   0.20800  1.0 3.0
   40    33    53    48  -0.25600  1.0 1.0
   40    33    53    48  -0.40050 -1.0 2.0
   40    33    53    48   0.34700  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
   46    62    44    42   4.00000 -1.0 2.0
   49    47    46    44   1.10000 -1.0 2.0
   54    50    49    46   1.10000 -1.0 2.0
   56    57    54    49   4.00000 -1.0 2.0
   62    64    56    54   4.00000 -1.0 2.0
   56    63    62    44   1.10000 -1.0 2.0
   48    66    45    42   4.00000 -1.0 2.0
   51    53    48    45   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   59    60    55    51   4.00000 -1.0 2.0
   66    75    59    55   4.00000 -1.0 2.0
   59    67    66    45   4.00000 -1.0 2.0
   73    86    70    68   4.00000 -1.0 2.0
   80    74    73    70   1.10000 -1.0 2.0
   82    81    80    73   1.10000 -1.0 2.0
   83    84    82    80   4.00000 -1.0 2.0
   86    88    83    82   4.00000 -1.0 2.0
   83    87    86    70   1.10000 -1.0 2.0
END
