* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    111    166     323
    1     0 S   NP   _N1_     1    28.89628    93.47510   -21.04364
    2     1 S   H    _HN1     2     1.02862    99.09242    18.93064
    3     1 S   H    _H1_     3     1.02969    28.75201   128.42485
    4     1 S   H    _H2_     4     1.02797    84.95073   -88.73418
    5     1 S   CT   _CA1     5     1.50483   136.80088   154.06074
    6     5 S   HC   _HA1     6     1.09683   104.68850    50.53581
    7     5 S   CO3  _C1_     7     1.54434   110.90023   -65.47644
    8     7 S   O2Z  _O11     8     1.26116   116.73628  -118.26277
    9     7 S   O2Z  _O12     9     1.26526   113.79436    60.78126
   10     5 S   CT   _CB1    10     1.53065   107.06772   166.65108
   11    10 S   HC   HB11    11     1.09831   110.00538   -43.12090
   12    10 S   HC   HB12    12     1.09801   110.08505    73.48992
   13    10 S   CT   _CG1    13     1.53098   112.41172  -163.83196
   14    13 S   HC   HG11    14     1.09507   110.81875   -53.21940
   15    13 S   HC   HG12    15     1.09627   110.07554    65.74582
   16    13 S   C    _CD1    16     1.51741   111.78621  -174.29546
   17    16 S   O    _OE1    17     1.22749   123.05314   -16.05653
   18    16 S   N    _N2_    18     1.38546   111.84214   164.52053
   19    18 S   H    _HN2    19     1.01579   119.16525     2.07500
   20    18 S   CT1  _CA2    20     1.46249   123.30000  -175.98093
   21    20 S   HC   _HA2    21     1.09722   109.43415   -13.98107
   22    20 S   C    _C2_    22     1.53346   108.39237  -129.91637
   23    22 S   O    _O2_    23     1.23004   122.28373  -145.64427
   24    20 S   CT   _CB2    32     1.53431   111.02622   107.96650
   25    24 S   HC   HB21    33     1.09510   109.38931    56.65681
   26    24 S   HC   HB22    34     1.09510   110.74034   175.09448
   27    22 S   N    _N3_    24     1.38526   113.32249    41.71099
   28    27 S   H    _HN3    25     1.01528   118.91129    -0.45067
   29    24 S   S    _SG2    35     1.83007   111.58680   -65.35742
   30    27 S   CT   _CA3    26     1.45448   123.39808   175.12846
   31    30 S   HC   HA31    27     1.09526   109.18003    25.44268
   32    30 S   HC   HA32    28     1.09494   107.13370   142.43967
   33    29 S   CT   _C15    36     1.83808    99.89218   155.06290
   34    33 S   HC   _H3_    37     1.09709   103.14899    46.95601
   35    30 S   CO3  _C3_    29     1.52930   113.16158   -97.99428
   36    35 S   O2Z  _O31    30     1.26398   115.42474   -43.93592
   37    35 S   O2Z  _O32    31     1.26358   114.96846   137.00470
   38    33 S   CA   _C6_    38     1.52554   114.14760   -68.23121
   39    33 S   CM   _C10    53     1.52570   110.28452   162.95880
   40    38 S   CA   _C4_    39     1.40661   118.51063   138.95388
   41    40 S   HA   _H21    40     1.08845   119.74379    -0.41401
   42    39 S   CMA  _C11    54     1.36024   123.96242  -106.86937
   43    42 S   OM   _O14    55     1.26459   129.51517     1.44116
   44    39 S   CO4  _C12    60     1.49580   117.20086    76.45688
   45    44 S   O    _O16    61     1.22995   120.44790    92.59301
   46    40 S   CA   _C7_    41     1.39821   119.87602   179.15860
   47    42 S   CT   _C13    56     1.52575   121.24904  -178.86357
   48    47 S   HC   _H23    57     1.09800   110.72634   115.38912
   49    47 S   HC   _H24    58     1.09854   111.07652  -124.28544
   50    47 S   HC   _H25    59     1.09346   114.18617    -4.81365
   51    44 S   CT   _C14    62     1.50544   117.81747   -86.27705
   52    51 S   HC   _H26    63     1.09261   109.59108   101.74486
   53    51 S   HC   _H27    64     1.09325   111.06164   -19.61753
   54    51 S   HC   _H28    65     1.09373   108.98102  -138.09793
   55    46 S   CA   _C9_    42     1.39088   121.52476    -0.10835
   56    46 S   NO2  _N13    50     1.44606   118.11303   179.86878
   57    56 S   ON   _O15    51     1.23830   116.98366   -56.08696
   58    56 S   ON   _O17    52     1.23797   117.41008   123.09295
   59    55 S   CA   _C8_    43     1.39178   118.71630    -0.66470
   60    55 S   OH   _O19    48     1.36568   121.10853   178.70517
   61    60 S   HO   _H31    49     0.97463   107.28553   179.08914
   62    38 S   CA   _C5_    44     1.40887   122.92480   -42.98364
   63    62 S   HA   _H22    45     1.08715   120.33852     0.44937
   64    59 S   OH   _O18    46     1.36786   118.24433  -179.49876
   65    64 S   HO   _H30    47     0.97709   109.29564   177.03179
  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
  15   6   2   1   1  12  14  10   4   8   5   6   4   9   3   2
   1   1   3   2   1   1  10   4   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    62    39    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    59    62    63    39    42    43    47    44    45    51  
   38    40    62    39    42    44  
   36    37  
   37  
    0  
   40    41    46    55    59    62    63    64    56    39    42    44  
   42    43    47    48    49    50    44    45    51    52    53    54    40    62  
   41    46    55    59    62    63    60    56    57    58  
   46    55    62    56  
   43    47    48    49    50    44    45    51  
   47    48    49    50    44  
   45    51    52    53    54    47  
   51    52    53    54  
   55    59    62    64    60    61    56    57    58  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   59    62    63    64    65    60    61    56    57    58  
   57    58    59    60  
   58  
    0  
   62    63    64    65    60    61  
   61    62    64  
    0  
   63    64    65  
   64  
   65  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   58   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   59   3.5500   0.0700   0.150000   2.0020   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
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    39   317.000  1.510
   38    40   469.000  1.400
   38    62   469.000  1.400
   40    41   367.000  1.080
   40    46   469.000  1.400
   46    55   469.000  1.400
   46    56   400.000  1.460
   55    59   469.000  1.400
   55    60   450.000  1.364
   59    62   469.000  1.400
   59    64   450.000  1.364
   62    63   367.000  1.080
   64    65   553.000  0.945
   60    61   553.000  0.945
   56    57   550.000  1.225
   56    58   550.000  1.225
   39    42   465.000  1.376
   39    44   320.000  1.462
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   44    45   570.000  1.229
   44    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    42    70.00000  124.00000
   33    39    44    65.00000  116.34900
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    63.00000  120.00000
   38    62    59    63.00000  120.00000
   38    62    63    35.00000  120.00000
   40    46    55    63.00000  120.00000
   40    46    56    85.00000  120.00000
   46    40    41    35.00000  120.00000
   46    55    59    63.00000  120.00000
   46    55    60    70.00000  120.00000
   46    56    57    80.00000  117.50000
   46    56    58    80.00000  117.50000
   55    59    62    63.00000  120.00000
   55    59    64    70.00000  120.00000
   55    60    61    35.00000  113.00000
   59    62    63    35.00000  120.00000
   59    64    65    35.00000  113.00000
   62    38    40    63.00000  120.00000
   64    59    62    70.00000  120.00000
   60    55    59    70.00000  120.00000
   56    46    55    85.00000  120.00000
   58    56    57    80.00000  125.30000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    47    65.00000  122.18000
   39    44    45    80.00000  123.72100
   39    44    51    65.00000  118.62400
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    50    45.00000  110.52000
   47    42    43    85.00000  112.85300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   44    39    42    60.00000  125.92000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    54    35.00000  109.50000
   51    44    45    80.00000  120.40000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    46   3.62500 -1.0 2.0
   33    38    62    59   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   33    39    44    45  -0.64400  1.0 1.0
   33    39    44    45   0.26850 -1.0 2.0
   33    39    44    51   0.25700  1.0 1.0
   33    39    44    51   0.66200 -1.0 2.0
   33    39    44    51   0.04450  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    44   0.15000  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    33    39    44   0.09700  1.0 1.0
   38    33    39    44   0.15600 -1.0 2.0
   38    33    39    44  -0.50800  1.0 3.0
   38    40    46    55   3.62500 -1.0 2.0
   38    40    46    56   3.62500 -1.0 2.0
   40    38    62    59   3.62500 -1.0 2.0
   40    38    62    63   3.62500 -1.0 2.0
   40    46   -55    59   3.62500 -1.0 2.0
   40    46    55    60   3.62500 -1.0 2.0
   40    46    56    57   0.69950 -1.0 2.0
   40    46    56    58   0.69950 -1.0 2.0
   41    40    46    55   3.62500 -1.0 2.0
   41    40    46    56   3.62500 -1.0 2.0
   46    55    59    62   3.62500 -1.0 2.0
   46    55    59    64   3.62500 -1.0 2.0
   46    55    60    61   0.84100 -1.0 2.0
   55    46    56    57   0.69950 -1.0 2.0
   55    46    56    58   0.69950 -1.0 2.0
   55    59   -62    38   3.62500 -1.0 2.0
   55    59    62    63   3.62500 -1.0 2.0
   55    59    64    65   0.84100 -1.0 2.0
   59    55    60    61   0.84100 -1.0 2.0
   62    38    40    41   3.62500 -1.0 2.0
   62    38   -40    46   3.62500 -1.0 2.0
   62    59    64    65   0.84100 -1.0 2.0
   64    59    62    38   3.62500 -1.0 2.0
   64    59    62    63   3.62500 -1.0 2.0
   60    55    59    62   3.62500 -1.0 2.0
   60    55    59    64   3.62500 -1.0 2.0
   56    46    55    59   3.62500 -1.0 2.0
   56    46    55    60   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    62   0.18050 -1.0 2.0
   39    42    47    48   0.00000  1.0 1.0
   39    42    47    49   0.00000  1.0 1.0
   39    42    47    50   0.00000  1.0 1.0
   39    44    51    52   0.00000  1.0 1.0
   39    44    51    53   0.00000  1.0 1.0
   39    44    51    54   0.00000  1.0 1.0
   42    39    44    45   1.00000 -1.0 2.0
   42    39    44    51  -0.33500  1.0 1.0
   42    39    44    51   1.06600 -1.0 2.0
   42    39    44    51  -0.14000  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    50   0.00000  1.0 1.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39    42    47   7.00000 -1.0 2.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   45    44    51    54   0.00000  1.0 1.0
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
   40    62    38    33   4.00000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   55    56    46    40   4.00000 -1.0 2.0
   59    60    55    46   4.00000 -1.0 2.0
   62    64    59    55   4.00000 -1.0 2.0
   59    63    62    38   1.10000 -1.0 2.0
   58    46    56    57  10.50000 -1.0 2.0
   33    44    39    42  15.00000 -1.0 2.0
   47    43    42    39  15.00000 -1.0 2.0
   39    51    44    45  10.50000 -1.0 2.0
END
