* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    111    167     327
    1     0 S   NP   _N1_     1    29.08154    97.02744   -21.60270
    2     1 S   H    _HN1     2     1.02948    71.18537    20.95570
    3     1 S   H    _H1_     3     1.02828    44.67026   162.67410
    4     1 S   H    _H2_     4     1.02784    94.98528   -86.79565
    5     1 S   CT   _CA1     5     1.50130   149.55340   119.39342
    6     5 S   HC   _HA1     6     1.09572   105.16136    90.22264
    7     5 S   CO3  _C1_     7     1.53782   112.53272   -29.92189
    8     7 S   O2Z  _O11     8     1.26379   114.98505   -39.63850
    9     7 S   O2Z  _O12     9     1.26243   114.98931   139.53697
   10     5 S   CT   _CB1    10     1.53098   107.41001  -151.77367
   11    10 S   HC   HB11    11     1.09825   109.33319   -49.10136
   12    10 S   HC   HB12    12     1.09811   110.47018    67.54731
   13    10 S   CT   _CG1    13     1.52936   112.59372  -170.09105
   14    13 S   HC   HG11    14     1.09489   110.58968   -66.29395
   15    13 S   HC   HG12    15     1.09677   109.81199    52.83863
   16    13 S   C    _CD1    16     1.51792   112.43585   173.16324
   17    16 S   O    _OE1    17     1.22704   123.36734     3.47311
   18    16 S   N    _N2_    18     1.38600   111.46795  -176.06543
   19    18 S   H    _HN2    19     1.01574   118.83085     0.91835
   20    18 S   CT1  _CA2    20     1.46218   123.64825   176.62803
   21    20 S   HC   _HA2    21     1.09730   109.46989     1.61156
   22    20 S   C    _C2_    22     1.53590   108.32801  -113.72782
   23    22 S   O    _O2_    23     1.23047   122.41330  -147.70690
   24    20 S   CT   _CB2    32     1.53204   111.25869   123.95118
   25    24 S   HC   HB21    33     1.09551   109.95593    53.85175
   26    24 S   HC   HB22    34     1.09509   110.70734   172.11955
   27    22 S   N    _N3_    24     1.38374   113.64248    39.79323
   28    27 S   H    _HN3    25     1.01586   119.54341    -3.29224
   29    24 S   S    _SG2    35     1.82893   111.42910   -69.32564
   30    27 S   CT   _CA3    26     1.45283   123.23424   177.14275
   31    30 S   HC   HA31    27     1.09548   107.50786   -64.74321
   32    30 S   HC   HA32    28     1.09556   107.99150    51.70128
   33    29 S   CT   _C8_    36     1.83221   100.03970   132.98260
   34    33 S   HC   _H3_    37     1.09606   108.41798    33.03303
   35    30 S   CO3  _C3_    29     1.52959   114.06845   173.70306
   36    35 S   O2Z  _O31    30     1.26375   116.06169    -0.55426
   37    35 S   O2Z  _O32    31     1.26424   114.41844   179.50742
   38    33 S   CM   _C4_    38     1.50906   109.31579   -84.83899
   39    38 S   HC   _H16    39     1.08606   115.26776    63.31980
   40    38 S   CM   _C5_    40     1.34951   125.14571  -118.67795
   41    40 S   CT   _C9_    41     1.52211   120.60646     1.83483
   42    41 S   HC   _H18    42     1.09556   108.83033   139.16594
   43    40 S   CT   _C13    53     1.52695   123.85876  -177.54569
   44    43 S   HC   _H26    54     1.09828   107.52317   141.03156
   45    41 S   CT   _C10    43     1.54037   114.71556    18.07608
   46    45 S   HC   _H19    44     1.09640   110.12919  -163.19483
   47    41 S   OH   _O13    51     1.42993   108.26745  -105.21936
   48    47 S   HO   _H27    52     0.97596   107.35092    81.00126
   49    43 S   CT   _C11    55     1.53207   110.56476  -101.36337
   50    49 S   HC   _H20    56     1.09519   111.31430    60.58901
   51    49 S   HC   _H21    57     1.09470   111.65804   -59.80168
   52    49 S   HC   _H22    58     1.09542   110.74316  -179.23459
   53    43 S   CT   _C12    59     1.53432   115.13968    23.31120
   54    53 S   HC   _H23    60     1.09515   112.03222   -68.55983
   55    53 S   HC   _H24    61     1.09588   110.31661   172.02888
   56    53 S   HC   _H25    62     1.09541   111.10982    52.94646
   57    33 S   CM   _C6_    45     1.50420   109.24641   151.24580
   58    45 S   OH   _O14    49     1.42746   109.79887    79.07815
   59    58 S   HO   _H28    50     0.97157   107.30327    64.35864
   60    57 S   CMA  _C7_    46     1.51650   118.84676  -108.94545
   61    60 S   OM   _O33    47     1.26127   120.36588    86.57439
   62    60 S   OM   _O34    48     1.26290   120.44927   -93.07150
  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   8   5   4   3
  13   6   2   1   1  12   4  18  13   7  11   8   9   5   3   1
   7   3   2   1   3   2   1   1   5   2   1   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    57    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    57    60    61    62    58    43  
   38    39    40    45    57    60  
   36    37  
   37  
    0  
   39    40    41    42    45    57    60    47    43    44    49    53  
   40    41    57    43  
   41    42    45    46    57    58    47    48    43    44    49    50    51    52    53    54    55    56  
   42    45    46    57    60    58    59    47    48    43    44    49    53  
   45    46    57    58    47    48    43  
   44    49    50    51    52    53    54    55    56    45    47  
   49    50    51    52    53    54    55    56  
   46    57    60    61    62    58    59    47    48  
   57    60    58    59    47  
   48    57    58  
    0  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53  
   54    55    56  
   55    56  
   56  
    0  
   60    61    62    58    59  
   59    60  
    0  
   61    62  
   62  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   62   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
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   317.000  1.510
   33    57   317.000  1.510
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    43   317.000  1.510
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    57   317.000  1.510
   45    58   320.000  1.410
   57    60   465.000  1.376
   60    61   745.000  1.250
   60    62   745.000  1.250
   58    59   553.000  0.945
   47    48   553.000  0.945
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    53   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
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  112.20000
   29    33    57    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    57    45    65.00000  117.92700
   33    57    60    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  124.00000
   38    40    43    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    41    42    35.00000  109.50000
   40    41    45    70.00000  112.02700
   40    41    47    90.00000  110.39200
   40    43    44    35.00000  109.50000
   40    43    49    70.00000  112.02700
   40    43    53    70.00000  112.02700
   41    45    46    37.50000  110.70000
   41    45    57    70.00000  112.02700
   41    45    58    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    57    60    70.00000  124.00000
   45    58    59    55.00000  108.50000
   57    33    34    35.00000  109.50000
   57    33    38    70.00000  110.12100
   57    45    46    35.00000  109.50000
   57    60    61    65.00000  137.10300
   57    60    62    65.00000  137.10300
   62    60    61    65.00000  121.00000
   58    45    46    35.00000  109.50000
   58    45    57    90.00000  110.39200
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    40    41    65.00000  117.92700
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   43    53    54    37.50000  110.70000
   43    53    55    37.50000  110.70000
   43    53    56    37.50000  110.70000
   49    43    44    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    43    44    37.50000  110.70000
   53    43    49    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
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  -0.62250  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    57  -0.62250  1.0 1.0
   24    29    33    57  -0.38450 -1.0 2.0
   24    29    33    57   0.81900  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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    57    45   0.30250  1.0 1.0
   29    33    57    45  -0.14950 -1.0 2.0
   29    33    57    45   0.36900  1.0 3.0
   29    33    57    60   0.42700  1.0 1.0
   29    33    57    60  -0.70350 -1.0 2.0
   29    33    57    60  -0.43150  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    43   7.00000 -1.0 2.0
   33    57    60    61   7.00000 -1.0 2.0
   33    57    60    62   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    57    45   0.34800  1.0 3.0
   34    33    57    60   0.00000  1.0 1.0
   38    33    57    45   0.09700  1.0 1.0
   38    33    57    45   0.15600 -1.0 2.0
   38    33    57    45  -0.50800  1.0 3.0
   38    33    57    60  -0.28300  1.0 1.0
   38    33    57    60   0.26700 -1.0 2.0
   38    33    57    60  -0.63300  1.0 3.0
   38    40    41    42   0.00000  1.0 1.0
   38    40   -41    45   0.09850  1.0 1.0
   38    40   -41    45   0.15250 -1.0 2.0
   38    40   -41    45  -0.50650  1.0 3.0
   38    40    41    47   0.67800  1.0 1.0
   38    40    41    47   0.47050 -1.0 2.0
   38    40    41    47  -0.62500  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    49   0.09850  1.0 1.0
   38    40    43    49   0.15250 -1.0 2.0
   38    40    43    49  -0.50650  1.0 3.0
   38    40    43    53   0.09850  1.0 1.0
   38    40    43    53   0.15250 -1.0 2.0
   38    40    43    53  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    43   7.00000 -1.0 2.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    57   0.31000  1.0 1.0
   40    41    45    57   0.14700 -1.0 2.0
   40    41    45    57   0.07550  1.0 3.0
   40    41    45    58   1.05650  1.0 1.0
   40    41    45    58   0.15600 -1.0 2.0
   40    41    45    58   0.53150  1.0 3.0
   40    41    47    48  -0.07800  1.0 1.0
   40    41    47    48  -0.21500 -1.0 2.0
   40    41    47    48  -0.03150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    51   0.15000  1.0 3.0
   40    43    49    52   0.15000  1.0 3.0
   40    43    53    54   0.15000  1.0 3.0
   40    43    53    55   0.15000  1.0 3.0
   40    43    53    56   0.15000  1.0 3.0
   41    40    43    44   0.34800  1.0 3.0
   41    40    43    49   0.46850  1.0 1.0
   41    40    43    49   0.08550 -1.0 2.0
   41    40    43    49   0.09800  1.0 3.0
   41    40    43    53   0.46850  1.0 1.0
   41    40    43    53   0.08550 -1.0 2.0
   41    40    43    53   0.09800  1.0 3.0
   41    45   -57    33   0.46850  1.0 1.0
   41    45   -57    33   0.08550 -1.0 2.0
   41    45   -57    33   0.09800  1.0 3.0
   41    45    57    60   0.09850  1.0 1.0
   41    45    57    60   0.15250 -1.0 2.0
   41    45    57    60  -0.50650  1.0 3.0
   41    45    58    59  -0.11600  1.0 1.0
   41    45    58    59  -0.09450 -1.0 2.0
   41    45    58    59   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    57   0.15000  1.0 3.0
   42    41    45    58   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    57    60    61   7.00000 -1.0 2.0
   45    57    60    62   7.00000 -1.0 2.0
   46    45    57    33   0.34800  1.0 3.0
   46    45    57    60   0.00000  1.0 1.0
   46    45    58    59   0.19450  1.0 3.0
   57    33    38    39   0.00000  1.0 1.0
   57    33   -38    40  -0.28300  1.0 1.0
   57    33   -38    40   0.26700 -1.0 2.0
   57    33   -38    40  -0.63300  1.0 3.0
   57    45    58    59  -0.07800  1.0 1.0
   57    45    58    59  -0.21500 -1.0 2.0
   57    45    58    59  -0.03150  1.0 3.0
   58    45    57    33   0.18000  1.0 1.0
   58    45    57    33   0.16450 -1.0 2.0
   58    45    57    33   0.04450  1.0 3.0
   58    45    57    60   0.67800  1.0 1.0
   58    45    57    60   0.47050 -1.0 2.0
   58    45    57    60  -0.62500  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    57   1.05650  1.0 1.0
   47    41    45    57   0.15600 -1.0 2.0
   47    41    45    57   0.53150  1.0 3.0
   47    41    45    58   3.75450  1.0 1.0
   43    40    41    42   0.34800  1.0 3.0
   43    40    41    45   0.46850  1.0 1.0
   43    40    41    45   0.08550 -1.0 2.0
   43    40    41    45   0.09800  1.0 3.0
   43    40    41    47   0.18000  1.0 1.0
   43    40    41    47   0.16450 -1.0 2.0
   43    40    41    47   0.04450  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    52   0.15000  1.0 3.0
   44    43    53    54   0.15000  1.0 3.0
   44    43    53    55   0.15000  1.0 3.0
   44    43    53    56   0.15000  1.0 3.0
   49    43    53    54   0.15000  1.0 3.0
   49    43    53    55   0.15000  1.0 3.0
   49    43    53    56   0.15000  1.0 3.0
   53    43    49    50   0.15000  1.0 3.0
   53    43    49    51   0.15000  1.0 3.0
   53    43    49    52   0.15000  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    43    40    38   1.10000 -1.0 2.0
   33    45    57    60   1.10000 -1.0 2.0
   61    62    60    57   1.10000 -1.0 2.0
END
