* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    134    210     401
    1     0 S   NP   _N1_     1    29.72865    92.26395   -24.49525
    2     1 S   H    _HN1     2     1.02955    90.18606    15.77027
    3     1 S   H    _H1_     3     1.02834    17.55331  -179.87646
    4     1 S   H    _H2_     4     1.02786   110.04702   -93.90743
    5     1 S   CT   _CA1     5     1.50113   122.88452   130.44128
    6     5 S   HC   _HA1     6     1.09574   105.21660    73.40394
    7     5 S   CO3  _C1_     7     1.53802   112.38290   -46.86557
    8     7 S   O2Z  _O11     8     1.26374   114.99243   -43.83383
    9     7 S   O2Z  _O12     9     1.26240   114.93810   135.26791
   10     5 S   CT   _CB1    10     1.53073   107.42700  -168.60675
   11    10 S   HC   HB11    11     1.09833   109.41709   -49.60655
   12    10 S   HC   HB12    12     1.09825   110.44748    67.01233
   13    10 S   CT   _CG1    13     1.52995   112.58324  -170.58725
   14    13 S   HC   HG11    14     1.09589   110.56485   -64.18276
   15    13 S   HC   HG12    15     1.09659   109.89486    55.09651
   16    13 S   C    _CD1    16     1.51751   112.19304   175.52639
   17    16 S   O    _OE1    17     1.22754   123.22396     3.19806
   18    16 S   N    _N2_    18     1.38696   111.67554  -176.91498
   19    18 S   H    _HN2    19     1.01569   119.08379     2.38622
   20    18 S   CT1  _CA2    20     1.46095   123.27112   179.48833
   21    20 S   HC   _HA2    21     1.09443   109.09624     2.30376
   22    20 S   C    _C2_    22     1.53508   108.81199  -112.45620
   23    22 S   O    _O2_    23     1.23049   122.34193  -146.96672
   24    20 S   CT   _CB2    32     1.53444   111.95320   124.76053
   25    24 S   HC   HB21    33     1.09681   109.32315    67.77331
   26    24 S   HC   HB22    34     1.09537   110.72465  -175.66957
   27    22 S   N    _N3_    24     1.38356   113.61778    40.36045
   28    27 S   H    _HN3    25     1.01577   119.55455    -2.86204
   29    24 S   S    _SG2    35     1.83299   115.51514   -51.37103
   30    27 S   CT   _CA3    26     1.45266   123.19986   177.01371
   31    30 S   HC   HA31    27     1.09549   107.48563   -65.50352
   32    30 S   HC   HA32    28     1.09558   108.01818    50.94097
   33    29 S   CT   _C10    36     1.84060   101.14807   -62.04330
   34    33 S   HC   _H3_    37     1.09173   106.37469    49.17638
   35    30 S   CO3  _C3_    29     1.52955   114.08417   173.01644
   36    35 S   O2Z  _O31    30     1.26378   116.08138     0.81517
   37    35 S   O2Z  _O32    31     1.26431   114.41417  -179.11796
   38    33 S   CA   _C9_    38     1.52326   110.15712   164.37467
   39    33 S   CM   _C11    50     1.51275   109.97056   -70.48016
   40    39 S   HC   _H13    51     1.09118   115.71135   -61.35183
   41    38 S   CA   _C4_    39     1.40601   119.36505  -109.22086
   42    41 S   HA   _H9_    40     1.08773   120.36708    -0.52489
   43    39 S   CMA  _C12    52     1.35607   126.87435   119.19376
   44    43 S   OM   _O33    53     1.26700   124.39547  -179.56840
   45    41 S   CA   _C5_    41     1.39574   120.90603   179.79158
   46    45 S   HA   _H10    42     1.08609   119.82468   179.76510
   47    43 S   OS1  _O34    54     1.41102   112.68512    -3.00440
   48    45 S   CA   _C6_    43     1.39015   119.60043    -0.13848
   49    47 S   CO1  _C13    55     1.43972   113.03915   113.60622
   50    49 S   HC   _H4_    56     1.09873   109.93203    47.83659
   51    48 S   CA   _C7_    44     1.39180   120.69803    -0.26688
   52    51 S   HA   _H11    45     1.08597   121.00235  -179.73312
   53    48 S   OH   _O40    48     1.36613   118.21404   179.80820
   54    53 S   HO   _H20    49     0.97235   108.49137   179.51302
   55    49 S   CT   _C14    57     1.53477   106.75264   166.72258
   56    55 S   HC   _H5_    58     1.09700   109.99558    52.84032
   57    38 S   CA   _C8_    46     1.40579   122.26286    69.94396
   58    57 S   HA   _H12    47     1.08723   120.55726     0.01978
   59    55 S   CT   _C15    59     1.53049   111.08073   174.72690
   60    59 S   HC   _H6_    60     1.09667   110.23354    73.40918
   61    55 S   OH5  _O39    75     1.42938   110.28348   -64.07598
   62    61 S   HO   _H19    76     0.97233   108.15033   -53.10678
   63    59 S   CT   _C16    61     1.53159   111.35754   -49.35126
   64    63 S   HC   _H7_    62     1.09715   108.98242   -71.60465
   65    59 S   OH5  _O38    73     1.42992   109.70523  -170.66571
   66    65 S   HO   _H18    74     0.97250   108.05295    58.02783
   67    63 S   CT   _C17    63     1.53233   110.82085    49.64537
   68    67 S   HC   _H8_    64     1.09820   111.05489    64.70650
   69    63 S   OH5  _O37    71     1.42635   109.68398   171.62597
   70    69 S   HO   _H17    72     0.97256   108.10537   -58.41265
   71    49 S   OS1  _O35    65     1.43114   110.79469   -74.13788
   72    67 S   CT   _C18    66     1.53003   111.33140  -174.50809
   73    72 S   HC   _H14    67     1.09465   110.88746    67.99485
   74    72 S   HC   _H15    68     1.09394   111.56354   -54.10195
   75    72 S   OH5  _O36    69     1.42446   109.21062  -173.14007
   76    75 S   HO   _H16    70     0.97229   107.08227  -173.22231
  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   7   3   8   4   6   2   7   3   8   6
  13   6   5   3   2   1  12   7   1   1  13   7   4   1  12   7
   3   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    52    57    58    39    40    43  
   40    43    44    47    49    41    57  
   43    44    47  
   42    45    46    48    51    57    58    53  
   45    46    48    57  
   44    47    49    50    55    71  
   47    49  
   46    48    51    52    57    53    54  
   48    51    53  
   49    50    55    56    59    67    71    61  
   51    52    57    58    53    54  
   50    55    56    59    60    63    67    68    71    72    65    61    62  
   55    56    59    67    71    61  
   52    57    58    53    54  
   57    58    53  
   54    57  
    0  
   56    59    60    63    64    67    71    69    65    66    61    62  
   59    60    63    71    65    61    62  
   58  
    0  
   60    63    64    67    68    71    72    69    70    65    66    61    62  
   63    64    67    69    65    66    61  
   62    63    65    71  
    0  
   64    67    68    71    72    73    74    75    69    70    65    66  
   67    68    71    72    69    70    65  
   66    67    69  
    0  
   68    71    72    73    74    75    76    69    70  
   71    72    73    74    75    69  
   70    71    72  
    0  
   72    73    74    75  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.9000   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   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    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   370.000  1.399
   49    50   360.000  1.097
   49    55   255.000  1.525
   49    71   370.000  1.399
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   355.000  1.421
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   355.000  1.421
   67    68   340.000  1.090
   67    71   335.000  1.422
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   355.000  1.421
   75    76   580.000  0.967
   69    70   580.000  0.967
   65    66   580.000  0.967
   61    62   580.000  0.967
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    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    57    63.00000  120.00000
   48    53    54    35.00000  113.00000
   51    57    58    35.00000  120.00000
   57    38    41    63.00000  120.00000
   57    51    52    35.00000  120.00000
   53    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    60.00000  105.75400
   47    49    55    90.00000  109.70700
   47    49    71   110.00000  113.16000
   49    55    56    45.00000  109.54000
   49    55    59    70.00000  111.10000
   49    55    61    90.00000  109.42000
   49    71    67    90.00000  112.10700
   55    49    50    45.00000  111.65000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    65    90.00000  111.45300
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    67    58.35000  112.70000
   59    63    69    90.00000  111.45300
   59    65    66    65.00000  108.53500
   63    59    60    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    95.00000  107.88500
   63    67    72    58.35000  112.70000
   63    69    70    65.00000  108.53500
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    90.00000  111.45300
   71    49    50    60.00000  105.75400
   71    49    55    90.00000  109.70700
   71    67    68    55.00000  108.98800
   72    67    68    37.50000  110.70000
   72    67    71    95.00000  107.88500
   72    75    76    65.00000  108.53500
   74    72    73    33.00000  107.80000
   75    72    73    60.00000  109.39000
   75    72    74    60.00000  109.39000
   69    63    64    60.00000  109.39000
   69    63    67    90.00000  111.45300
   65    59    60    60.00000  109.39000
   65    59    63    90.00000  111.45300
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    51   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    51   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    57   3.62500 -1.0 2.0
   45    48    53    54   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    51   -57    38   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   51    48    53    54   0.84100 -1.0 2.0
   52    51    57    38   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    55  -0.46850  1.0 1.0
   43    47    49    55   0.09300 -1.0 2.0
   43    47    49    55  -0.12850  1.0 3.0
   43    47    49    71  -0.48150  1.0 1.0
   43    47    49    71   0.09250 -1.0 2.0
   43    47    49    71  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    55    56   0.23400  1.0 3.0
   47    49    55    59   0.62750  1.0 1.0
   47    49    55    59  -0.30950 -1.0 2.0
   47    49    55    59   0.27300  1.0 3.0
   47    49    55    61   1.51850  1.0 1.0
   47    49    71    67  -0.70400  1.0 1.0
   47    49    71    67  -0.90350 -1.0 2.0
   49    55    59    60   0.15000  1.0 3.0
   49    55    59    63   0.56750  1.0 1.0
   49    55    59    63  -0.07550 -1.0 2.0
   49    55    59    63   0.20000  1.0 3.0
   49    55    59    65  -0.47750  1.0 1.0
   49    55    61    62   0.29150  1.0 1.0
   49    55    61    62  -0.28350 -1.0 2.0
   49    55    61    62   0.43600  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    59   0.15000  1.0 3.0
   50    49    55    61   0.23400  1.0 3.0
   50    49    71    67   0.37050  1.0 3.0
   55    49    71    67   0.06250  1.0 1.0
   55    49    71    67  -0.01100 -1.0 2.0
   55    49    71    67   0.28050  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59   -63    67   0.56750  1.0 1.0
   55    59   -63    67  -0.07550 -1.0 2.0
   55    59   -63    67   0.20000  1.0 3.0
   55    59    63    69  -0.47750  1.0 1.0
   55    59    65    66   0.29150  1.0 1.0
   55    59    65    66  -0.28350 -1.0 2.0
   55    59    65    66   0.43600  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    65   0.23400  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    63    67    68   0.15000  1.0 3.0
   59    63    67    71   0.62750  1.0 1.0
   59    63    67    71  -0.30950 -1.0 2.0
   59    63    67    71   0.27300  1.0 3.0
   59    63    67    72   0.56750  1.0 1.0
   59    63    67    72  -0.07550 -1.0 2.0
   59    63    67    72   0.20000  1.0 3.0
   59    63    69    70   0.29150  1.0 1.0
   59    63    69    70  -0.28350 -1.0 2.0
   59    63    69    70   0.43600  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    67   0.15000  1.0 3.0
   60    59    63    69   0.23400  1.0 3.0
   60    59    65    66   0.19450  1.0 3.0
   63    59    65    66   0.29150  1.0 1.0
   63    59    65    66  -0.28350 -1.0 2.0
   63    59    65    66   0.43600  1.0 3.0
   63    67   -71    49   0.06250  1.0 1.0
   63    67   -71    49  -0.01100 -1.0 2.0
   63    67   -71    49   0.28050  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75  -0.47750  1.0 1.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.23400  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70   0.29150  1.0 1.0
   67    63    69    70  -0.28350 -1.0 2.0
   67    63    69    70   0.43600  1.0 3.0
   67    72    75    76   0.29150  1.0 1.0
   67    72    75    76  -0.28350 -1.0 2.0
   67    72    75    76   0.43600  1.0 3.0
   68    67    71    49   0.37050  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.23400  1.0 3.0
   71    49    55    56   0.23400  1.0 3.0
   71    49   -55    59   0.62750  1.0 1.0
   71    49   -55    59  -0.30950 -1.0 2.0
   71    49   -55    59   0.27300  1.0 3.0
   71    49    55    61   1.51850  1.0 1.0
   71    67    72    73   0.23400  1.0 3.0
   71    67    72    74   0.23400  1.0 3.0
   71    67    72    75   1.51850  1.0 1.0
   72    67    71    49   0.06250  1.0 1.0
   72    67    71    49  -0.01100 -1.0 2.0
   72    67    71    49   0.28050  1.0 3.0
   73    72    75    76   0.19450  1.0 3.0
   74    72    75    76   0.19450  1.0 3.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71   1.51850  1.0 1.0
   69    63    67    72  -0.47750  1.0 1.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    67  -0.47750  1.0 1.0
   65    59    63    69   3.77950  1.0 1.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63  -0.47750  1.0 1.0
   61    55    59    65   3.77950  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    53    48    45   4.00000 -1.0 2.0
   57    52    51    48   1.10000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
END
