* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    139    226     413
    1     0 S   NP   _N1_     1    29.39183    96.09649   -18.03978
    2     1 S   H    _HN1     2     1.03020   101.66434    45.26435
    3     1 S   H    _H1_     3     1.02818    43.52823   147.93063
    4     1 S   H    _H2_     4     1.02777    68.97280   -59.87927
    5     1 S   CT   _CA1     5     1.50137   144.93632  -158.85371
    6     5 S   HC   _HA1     6     1.09581   105.33868    23.33960
    7     5 S   CO3  _C1_     7     1.53613   112.32792   -96.77367
    8     7 S   O2Z  _O11     8     1.26313   115.15624   -47.16990
    9     7 S   O2Z  _O12     9     1.26226   115.03291   132.18701
   10     5 S   CT   _CB1    10     1.52999   107.20607   140.97120
   11    10 S   HC   HB11    11     1.09816   109.01113   -54.85910
   12    10 S   HC   HB12    12     1.09786   110.34339    61.28240
   13    10 S   CT   _CG1    13     1.52997   113.03622  -176.35895
   14    13 S   HC   HG11    14     1.09550   110.12151   -62.62535
   15    13 S   HC   HG12    15     1.09602   110.41277    56.56269
   16    13 S   C    _CD1    16     1.51773   111.72989   176.42889
   17    16 S   O    _OE1    17     1.22777   122.94742   -21.02214
   18    16 S   N    _N2_    18     1.38367   112.02930   160.14730
   19    18 S   H    _HN2    19     1.01937   119.44898     0.39565
   20    18 S   CT1  _CA2    20     1.46047   123.60840  -177.35929
   21    20 S   HC   _HA2    21     1.09734   109.30985   -16.12351
   22    20 S   C    _C2_    22     1.53451   108.61878  -131.82899
   23    22 S   O    _O2_    23     1.23045   122.26300  -148.17294
   24    20 S   CT   _CB2    32     1.53373   111.07345   105.90829
   25    24 S   HC   HB21    33     1.09488   110.00375    54.59916
   26    24 S   HC   HB22    34     1.09515   110.57508   172.66310
   27    22 S   N    _N3_    24     1.38531   113.40626    39.76729
   28    27 S   H    _HN3    25     1.01516   118.83943    -2.07566
   29    24 S   S    _SG2    35     1.82889   111.77313   -68.80807
   30    27 S   CT   _CA3    26     1.45410   123.36469   174.90080
   31    30 S   HC   HA31    27     1.09536   109.02717    27.91787
   32    30 S   HC   HA32    28     1.09492   107.16377   144.85401
   33    29 S   CT   _C7_    36     1.84561   100.33182   132.54810
   34    33 S   HC   _H5_    37     1.09679   107.14241    34.38774
   35    30 S   CO3  _C3_    29     1.52951   113.31104   -95.43524
   36    35 S   O2Z  _O31    30     1.26401   115.53244   -43.14719
   37    35 S   O2Z  _O32    31     1.26391   114.95458   137.84479
   38    33 S   CM   _C8_    38     1.52742   109.65794   -86.10939
   39    38 S   CT   _C4_    39     1.51648   113.50978   -73.46527
   40    39 S   HC   _H7_    40     1.09717   108.23465    70.15876
   41    39 S   HC   _H8_    41     1.09247   112.91078  -174.01110
   42    38 S   CM   _C9_    54     1.34622   120.20413   109.21916
   43    42 S   HC   _H10    55     1.08578   119.06786    -4.10985
   44    39 S   CT1  _C5_    42     1.53207   110.94874   -51.65946
   45    44 S   HC   _H3_    43     1.09872   109.36542   -66.38537
   46    42 S   CG   _C10    56     1.48190   124.04848   173.07629
   47    46 S   HC   _H11    57     1.09769   116.57008   -17.80999
   48    44 S   NT   _N4_    44     1.47436   111.92604    54.81575
   49    48 S   H    _H9_    45     1.02184   109.48827    61.38571
   50    44 S   CO3  _C21    51     1.54434   112.51816   173.87225
   51    50 S   O2Z  _O40    52     1.26416   116.32227   -32.96726
   52    50 S   O2Z  _O39    53     1.26605   114.68989   146.42688
   53    46 S   NIP  _N5_    58     1.29291   124.48414   164.68914
   54    33 S   CT1  _C6_    46     1.54580   112.58504   152.47735
   55    54 S   HC   _H4_    47     1.10033   108.65441  -172.51263
   56    53 S   CM   _C18    59     1.41700   121.62575   173.69463
   57    53 S   CT1  _C11    72     1.50159   129.10545    -5.17127
   58    57 S   HC   _H6_    73     1.09580   109.05852    42.51520
   59    54 S   CO3  _C20    48     1.54745   112.02011   -56.74784
   60    59 S   O2Z  _O38    49     1.26289   117.49548   114.23103
   61    59 S   O2Z  _O37    50     1.26805   113.83628   -65.71976
   62    56 S   CM   _C17    60     1.34024   129.99491    10.40894
   63    62 S   HC   _H15    61     1.08211   124.46599    -0.71189
   64    57 S   CO3  _C19    74     1.53887   107.75680   -77.61684
   65    64 S   O2Z  _O36    75     1.26186   116.40872   -85.97493
   66    64 S   O2Z  _O35    76     1.26439   114.48625    93.89278
   67    62 S   CO4  _C16    62     1.48082   119.16232   177.59515
   68    67 S   O    _O34    63     1.22172   122.29876   177.26448
   69    67 S   CO4  _C15    64     1.51127   118.43237    -2.73531
   70    69 S   O    _O33    65     1.22112   119.58819  -175.51791
   71    69 S   CM   _C14    66     1.47551   117.93817     5.32130
   72    71 S   HC   _H14    67     1.08256   118.81820   176.11068
   73    56 S   CM   _C13    68     1.44891   108.66037  -169.68466
   74    73 S   CT   _C12    69     1.49424   108.93643     4.61397
   75    74 S   HC   _H12    70     1.09769   109.08772   101.01168
   76    74 S   HC   _H13    71     1.09499   112.73250  -139.14240
  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
  16   7   2   1   1  15  13   6   5   8   3   9   6   9   3   9
   4   3   1   1  14   4   3  14  10   7   2   1   1   8   4   6
   2   1   6   3   5   3   5   2   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    55    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    55    59    60    61    42    43    46  
   38    39    48    54    55    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    55    59    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    56    57    44    54  
   46    47    53  
   45    48    49    54    55    59    50    51    52  
   48    49    54    50    51    52  
   47    53    56    62    73    74    57    58    64  
   53    56    57  
   49    54    55    59    60    61    50    51    52  
   54    55    59    50  
   51    52    54  
   52  
    0  
   56    62    63    67    71    73    74    75    76    57    58    64    65    66  
   55    59    60    61  
   59    60    61  
   62    63    67    68    69    71    72    73    74    75    76    57    58    64  
   58    64    65    66    62    71    73    74    75    76  
   64    65    66    73    74    75    76  
   60    61  
   61  
    0  
   63    67    68    69    70    71    73    74  
   67    68    69    73  
   65    66    73    74    75    76  
   66    74  
   74  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74  
   71    72    73  
   72    73    74    75    76  
   73    74  
   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   0.107500   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   305.000  1.457
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   305.000  1.457
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    56   335.000  1.413
   53    57   280.000  1.462
   56    62   549.000  1.340
   56    73   380.000  1.444
   62    63   340.000  1.080
   62    67   320.000  1.462
   67    68   570.000  1.229
   67    69   250.000  1.523
   69    70   570.000  1.229
   69    71   320.000  1.462
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    57   268.000  1.529
   57    58   340.000  1.090
   57    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
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    54    75.00000  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    80.00000  111.22000
   33    54    55    37.50000  110.70000
   33    54    59    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.22000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    50.00000  111.55300
   44    48    54    51.80000  107.20000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  109.55000
   48    54    55    50.00000  109.55000
   48    54    59    75.00000  111.54000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    48    49    50.00000  111.55300
   54    59    60    70.00000  117.00000
   54    59    61    70.00000  117.00000
   59    54    55    35.00000  109.50000
   61    59    60    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  111.54000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    56    70.00000  118.46000
   46    53    57    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    56    62    70.00000  113.56000
   53    56    73    70.00000  113.56000
   53    57    74    75.00000  111.57000
   53    57    58    50.00000  106.46400
   53    57    64    75.00000  110.00000
   56    62    63    35.00000  120.00000
   56    62    67    65.00000  118.96000
   56    73    71    70.00000  123.01800
   56    73    74    70.00000  124.00000
   62    67    68    80.00000  123.72100
   62    67    69    65.00000  116.00000
   67    62    63    40.00000  117.72500
   67    69    70    80.00000  119.30300
   67    69    71    65.00000  116.00000
   69    67    68    80.00000  119.30300
   69    71    72    40.00000  117.72500
   69    71    73    65.00000  118.96000
   71    69    70    80.00000  123.72100
   71    73    74    70.00000  124.00000
   73    56    62    70.00000  123.01800
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    57    70.00000  112.02700
   74    57    58    37.50000  110.70000
   74    57    64    63.00000  111.10000
   76    74    75    33.00000  107.80000
   57    53    56    70.00000  121.00000
   57    74    75    37.50000  110.70000
   57    74    76    37.50000  110.70000
   57    64    65    70.00000  117.00000
   57    64    66    70.00000  117.00000
   64    57    58    35.00000  109.50000
   66    64    65    80.00000  126.00000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59  -2.17200  1.0 1.0
   29    33    54    59  -0.85700 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    59    60   0.00000  1.0 1.0
   33    54    59    61   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    59  -0.03800  1.0 3.0
   38    33    54    48   0.59950  1.0 1.0
   38    33    54    48  -0.21400 -1.0 2.0
   38    33    54    48   0.56200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    59  -0.98800  1.0 1.0
   38    33    54    59   0.48800 -1.0 2.0
   38    33    54    59   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.59950  1.0 1.0
   38    39   -44    48  -0.21400 -1.0 2.0
   38    39   -44    48   0.56200  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49  -0.15950  1.0 1.0
   39    44    48    49   0.34650 -1.0 2.0
   39    44    48    49   0.05750  1.0 3.0
   39    44    48    54   0.23450  1.0 1.0
   39    44    48    54   0.02050 -1.0 2.0
   39    44    48    54   0.25250  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   0.23450  1.0 1.0
   44    48   -54    33   0.02050 -1.0 2.0
   44    48   -54    33   0.25250  1.0 3.0
   44    48    54    55   0.28000  1.0 3.0
   44    48    54    59  -1.76800  1.0 1.0
   44    48    54    59   1.02600 -1.0 2.0
   44    48    54    59   0.19700  1.0 3.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    54   0.28000  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    54    59    60   0.30150 -1.0 2.0
   48    54    59    61   0.30150 -1.0 2.0
   49    48    54    33  -0.15950  1.0 1.0
   49    48    54    33   0.34650 -1.0 2.0
   49    48    54    33   0.05750  1.0 3.0
   49    48    54    55   0.20000  1.0 3.0
   49    48    54    59   0.21900  1.0 1.0
   49    48    54    59  -0.24900 -1.0 2.0
   49    48    54    59   0.15200  1.0 3.0
   54    33   -38    39   0.46850  1.0 1.0
   54    33   -38    39   0.08550 -1.0 2.0
   54    33   -38    39   0.09800  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   50    44    48    49   0.21900  1.0 1.0
   50    44    48    49  -0.24900 -1.0 2.0
   50    44    48    49   0.15200  1.0 3.0
   50    44    48    54  -1.76800  1.0 1.0
   50    44    48    54   1.02600 -1.0 2.0
   50    44    48    54   0.19700  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    56   2.00000 -1.0 2.0
   42    46    53    57   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    56    62   5.00000 -1.0 2.0
   46    53    56    73   5.00000 -1.0 2.0
   46    53    57    74   0.00000  1.0 1.0
   46    53    57    58  -0.22200  1.0 3.0
   46    53    57    64   0.00000  1.0 1.0
   47    46    53    56   2.00000 -1.0 2.0
   47    46    53    57   2.00000 -1.0 2.0
   53    56    62    63   7.00000 -1.0 2.0
   53    56    62    67   7.00000 -1.0 2.0
   53    56    73    71  -0.18600  1.0 3.0
   53    56   -73    74   1.08500 -1.0 2.0
   53    57    64    65   0.30150 -1.0 2.0
   53    57    64    66   0.30150 -1.0 2.0
   56    53   -57    74   0.00000  1.0 1.0
   56    53    57    58   0.00000  1.0 1.0
   56    53    57    64   0.00000  1.0 1.0
   56    62    67    68   1.00000 -1.0 2.0
   56    62    67    69   0.50400  1.0 1.0
   56    62    67    69   1.60000 -1.0 2.0
   56    62    67    69  -0.01800  1.0 3.0
   56    73    74    75   0.00000  1.0 1.0
   56    73    74    76   0.00000  1.0 1.0
   56    73   -74    57   0.98200  1.0 1.0
   56    73   -74    57  -0.11900 -1.0 2.0
   56    73   -74    57   0.24250  1.0 3.0
   62    56    73    71   0.28850  1.0 1.0
   62    56    73    71   2.61350 -1.0 2.0
   62    56    73    71   0.78400  1.0 3.0
   62    56    73    74  -0.18600  1.0 3.0
   62    67    69    70   0.03000  1.0 1.0
   62    67    69    70   0.58800 -1.0 2.0
   62    67    69    70   0.15550  1.0 3.0
   62    67   -69    71   0.43900  1.0 1.0
   62    67   -69    71  -0.18150 -1.0 2.0
   62    67   -69    71  -0.03650  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.92800 -1.0 2.0
   67    69    71    72   0.92800 -1.0 2.0
   67    69    71    73   0.50400  1.0 1.0
   67    69    71    73   1.60000 -1.0 2.0
   67    69    71    73  -0.01800  1.0 3.0
   68    67    69    70   0.06100 -1.0 2.0
   68    67    69    71   0.03000  1.0 1.0
   68    67    69    71   0.58800 -1.0 2.0
   68    67    69    71   0.15550  1.0 3.0
   69    71   -73    56   7.00000 -1.0 2.0
   69    71    73    74   7.00000 -1.0 2.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   1.00000 -1.0 2.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    57   0.09850  1.0 1.0
   71    73    74    57   0.15250 -1.0 2.0
   71    73    74    57  -0.50650  1.0 3.0
   72    71    73    56   7.00000 -1.0 2.0
   72    71    73    74   7.00000 -1.0 2.0
   73    56    62    63   7.00000 -1.0 2.0
   73    56   -62    67   7.00000 -1.0 2.0
   73    74   -57    53   0.56750  1.0 1.0
   73    74   -57    53  -0.07550 -1.0 2.0
   73    74   -57    53   0.20000  1.0 3.0
   73    74    57    58   0.15000  1.0 3.0
   73    74    57    64  -0.98800  1.0 1.0
   73    74    57    64   0.48800 -1.0 2.0
   73    74    57    64   0.76800  1.0 3.0
   74    57    64    65   0.00000  1.0 1.0
   74    57    64    66   0.00000  1.0 1.0
   75    74    57    53   0.15000  1.0 3.0
   75    74    57    58   0.15000  1.0 3.0
   75    74    57    64  -0.03800  1.0 3.0
   76    74    57    53   0.15000  1.0 3.0
   76    74    57    58   0.15000  1.0 3.0
   76    74    57    64  -0.03800  1.0 3.0
   57    53    56    62   5.00000 -1.0 2.0
   57    53   -56    73   5.00000 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    66   0.00000  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
   33    39    38    42   1.10000 -1.0 2.0
   60    54    59    61  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   56    57    53    46   1.00000 -1.0 2.0
   53    73    56    62   1.10000 -1.0 2.0
   67    63    62    56   1.10000 -1.0 2.0
   62    69    67    68  10.50000 -1.0 2.0
   67    71    69    70  10.50000 -1.0 2.0
   69    72    71    73   1.10000 -1.0 2.0
   56    74    73    71   1.10000 -1.0 2.0
   65    57    64    66  10.50000 -1.0 2.0
END
