* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    140    226     425
    1     0 S   NP   _N1_     1    28.67852    95.78435   -24.21001
    2     1 S   H    _HN1     2     1.02955    73.45853    20.99909
    3     1 S   H    _H1_     3     1.02827    35.38466  -177.74051
    4     1 S   H    _H2_     4     1.02783   108.91544   -83.22603
    5     1 S   CT   _CA1     5     1.50119   134.29853   123.57809
    6     5 S   HC   _HA1     6     1.09577   105.19527    91.13997
    7     5 S   CO3  _C1_     7     1.53790   112.46597   -29.06090
    8     7 S   O2Z  _O11     8     1.26371   115.00020   -42.21201
    9     7 S   O2Z  _O12     9     1.26246   114.94617   136.91522
   10     5 S   CT   _CB1    10     1.53084   107.41068  -150.90481
   11    10 S   HC   HB11    11     1.09833   109.33610   -50.05514
   12    10 S   HC   HB12    12     1.09816   110.45215    66.54077
   13    10 S   CT   _CG1    13     1.52983   112.62008  -171.06948
   14    13 S   HC   HG11    14     1.09589   110.57959   -65.78288
   15    13 S   HC   HG12    15     1.09673   109.82438    53.43975
   16    13 S   C    _CD1    16     1.51806   112.29366   173.84091
   17    16 S   O    _OE1    17     1.22725   123.32059     5.00629
   18    16 S   N    _N2_    18     1.38653   111.62186  -175.01186
   19    18 S   H    _HN2    19     1.01583   118.91102     1.58708
   20    18 S   CT1  _CA2    20     1.46193   123.40333   177.49595
   21    20 S   HC   _HA2    21     1.09736   109.40399     0.13122
   22    20 S   C    _C2_    22     1.53519   108.47437  -115.31749
   23    22 S   O    _O2_    23     1.23050   122.31010  -147.57141
   24    20 S   CT   _CB2    32     1.53349   111.57659   122.22929
   25    24 S   HC   HB21    33     1.09576   110.01024    55.62028
   26    24 S   HC   HB22    34     1.09424   109.97967   174.71198
   27    22 S   N    _N3_    24     1.38338   113.63737    39.85851
   28    27 S   H    _HN3    25     1.01601   119.56906    -3.37615
   29    24 S   S    _SG2    35     1.82808   111.45055   -65.44717
   30    27 S   CT   _CA3    26     1.45287   123.19331   177.09923
   31    30 S   HC   HA31    27     1.09550   107.51406   -64.38085
   32    30 S   HC   HA32    28     1.09557   107.97532    52.05075
   33    29 S   CT   _C13    36     1.84610   100.00909   168.66426
   34    33 S   HC   _H5_    37     1.09648   106.82218   -45.79207
   35    30 S   CO3  _C3_    29     1.52954   114.09211   174.04168
   36    35 S   O2Z  _O31    30     1.26374   116.06590    -0.73035
   37    35 S   O2Z  _O32    31     1.26429   114.41197   179.32769
   38    33 S   CT   _C12    38     1.53494   109.45701    72.74188
   39    38 S   HC   _H16    39     1.09748   109.86513    52.96111
   40    38 S   HC   _H17    40     1.09706   109.17545   -63.83563
   41    33 S   CT   _C14    54     1.54311   109.67869  -164.12883
   42    41 S   HC   _H6_    55     1.09831   109.48014   -52.26296
   43    38 S   CT   _C9_    41     1.54401   112.48491   175.89635
   44    43 S   HC   _H4_    42     1.10011   105.34689    60.67782
   45    41 S   CO4  _C17    56     1.52404   109.82562    64.37109
   46    45 S   O    _O35    57     1.22758   123.03491  -131.88386
   47    45 S   HC   _H20    58     1.10403   116.25406    50.59468
   48    43 S   CM   _C10    43     1.53494   115.60800   175.30030
   49    48 S   CT   _C5_    44     1.52737   112.63279  -172.60851
   50    49 S   HC   _H3_    45     1.09934   106.84515    59.80440
   51    48 S   CM   _C11    72     1.34465   123.85671     7.26547
   52    51 S   HC   _H14    73     1.08402   122.30826   179.94405
   53    51 S   HC   _H15    74     1.08380   122.45214     0.35054
   54    49 S   CT   _C6_    46     1.53723   109.59998   -57.04758
   55    54 S   HC   _H10    47     1.09699   110.36113   -69.12137
   56    54 S   HC   _H11    48     1.09746   109.58450   174.33503
   57    49 S   CT   _C4_    68     1.53336   116.34896   178.29624
   58    57 S   HC   _H7_    69     1.09558   111.69607    62.62597
   59    57 S   HC   _H8_    70     1.09537   111.16430   -58.72847
   60    57 S   HC   _H9_    71     1.09577   110.50251  -177.65348
   61    54 S   CT   _C7_    49     1.53199   112.19885    53.86203
   62    61 S   HC   _H12    50     1.09729   107.44533    67.82846
   63    61 S   HC   _H13    51     1.09682   108.53473  -177.64915
   64    43 S   CT   _C8_    52     1.57017   111.53101   -56.40644
   65    64 S   CT   _C15    53     1.57771   109.21471    55.15272
   66    64 S   CT   _C18    64     1.55611   110.33370   -66.64917
   67    66 S   HC   _H21    65     1.09323   112.45231    68.32502
   68    66 S   HC   _H22    66     1.09417   112.46303   -52.03701
   69    66 S   HC   _H23    67     1.09548   111.24160  -171.18849
   70    65 S   CO4  _C16    59     1.53232   110.70964  -175.97654
   71    70 S   O    _O33    60     1.22766   124.69287  -105.78798
   72    70 S   HC   _H18    61     1.10410   115.56709    73.37423
   73    65 S   OH   _O34    62     1.43176   110.04611    68.29604
   74    73 S   HO   _H19    63     0.96990   109.72476   -62.82386
  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  10   5   4   3
  16   8   2   1   1  14   6   5  14   7  20   7   6   2   1  16
  15   9   5   1   1  12   6   5   4   2   1   1  10   4   3  10
   9   5   2   1   1   4   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    65    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    64    65    41    42    45    46    47    70    73  
   38    39    40    43    65    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    48    49    61    64    65    41    42    45    66    51  
   40    43    44    48    64    41  
   43    44    48    64    41  
   42    45    46    47    70    71    72    73    74    66    43    61    64    65  
   45    46    47    70    73    64    65  
   44    48    49    50    54    61    62    63    64    65    70    73    66    67    68    69    57    51    52    53  
   48    49    61    64    65    66    51  
   46    47    70    73    64    65  
   47    65  
   65  
   49    50    54    55    56    61    64    65    66    57    58    59    60    51    52    53  
   50    54    55    56    61    62    63    64    57    58    59    60    51    52    53  
   54    55    56    61    57    58    59    60    51  
   52    53    54    57    64  
   53  
    0  
   55    56    61    62    63    64    65    66    57    58    59    60  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    70    73    66    67    68    69  
   63    64    65    66  
   64    65    66  
   65    70    71    72    73    74    66    67    68    69  
   70    71    72    73    74    66    67    68    69  
   67    68    69    70    73  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73  
   73  
   74  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   72   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    48   317.000  1.510
   43    64   268.000  1.529
   48    49   317.000  1.510
   48    51   549.000  1.340
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    66   268.000  1.529
   65    41   268.000  1.529
   65    70   317.000  1.522
   65    73   320.000  1.410
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   570.000  1.229
   45    47   340.000  1.090
   70    71   570.000  1.229
   70    72   340.000  1.090
   73    74   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    52   340.000  1.080
   51    53   340.000  1.080
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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    65    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    48    70.00000  112.02700
   38    43    64    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    49    65.00000  117.92700
   43    48    51    70.00000  124.00000
   43    64    61    58.35000  112.70000
   43    64    65    58.35000  112.70000
   43    64    66    58.35000  112.70000
   48    43    44    35.00000  109.50000
   48    49    50    35.00000  109.50000
   48    49    54    70.00000  112.02700
   48    49    57    70.00000  112.02700
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    61    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    60    37.50000  110.70000
   54    49    50    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    66    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    43    44    37.50000  110.70000
   64    43    48    70.00000  112.02700
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    41    58.35000  112.70000
   64    65    70    63.00000  111.10000
   64    65    73    50.00000  109.50000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    69    37.50000  110.70000
   65    41    42    37.50000  110.70000
   65    41    45    63.00000  111.10000
   65    70    71    80.00000  120.40000
   65    70    72    35.00000  115.00000
   65    73    74    55.00000  108.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    80.00000  120.40000
   41    45    47    35.00000  115.00000
   45    41    42    35.00000  109.50000
   47    45    46    35.00000  123.00000
   70    65    41    63.00000  111.10000
   72    70    71    35.00000  123.00000
   73    65    41    50.00000  109.50000
   73    65    70    90.00000  109.61100
   66    64    65    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    48    49    70.00000  124.00000
   53    51    52    35.00000  117.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    65   0.44750  1.0 1.0
   29    33    41    65  -0.17800 -1.0 2.0
   29    33    41    65   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    48   0.34400  1.0 1.0
   33    38    43    48   0.09450 -1.0 2.0
   33    38    43    48   0.11100  1.0 3.0
   33    38    43    64   0.56750  1.0 1.0
   33    38    43    64  -0.07550 -1.0 2.0
   33    38    43    64   0.20000  1.0 3.0
   33    41    45    46   0.30150 -1.0 2.0
   33    41    45    47   0.74550  1.0 1.0
   33    41    45    47  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    65   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45  -0.11250  1.0 3.0
   38    33    41    65   0.56750  1.0 1.0
   38    33    41    65  -0.07550 -1.0 2.0
   38    33    41    65   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -0.95700  1.0 1.0
   38    33    41    45  -0.18200 -1.0 2.0
   38    33    41    45   0.29450  1.0 3.0
   38    43    48    49   0.46850  1.0 1.0
   38    43    48    49   0.08550 -1.0 2.0
   38    43    48    49   0.09800  1.0 3.0
   38    43    48    51   0.09850  1.0 1.0
   38    43    48    51   0.15250 -1.0 2.0
   38    43    48    51  -0.50650  1.0 3.0
   38    43    64    61   0.56750  1.0 1.0
   38    43    64    61  -0.07550 -1.0 2.0
   38    43    64    61   0.20000  1.0 3.0
   38    43   -64    65   0.56750  1.0 1.0
   38    43   -64    65  -0.07550 -1.0 2.0
   38    43   -64    65   0.20000  1.0 3.0
   38    43    64    66   0.56750  1.0 1.0
   38    43    64    66  -0.07550 -1.0 2.0
   38    43    64    66   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   39    38    43    64   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   40    38    43    64   0.15000  1.0 3.0
   43    48    49    50   0.34800  1.0 3.0
   43    48    49    54   0.46850  1.0 1.0
   43    48    49    54   0.08550 -1.0 2.0
   43    48    49    54   0.09800  1.0 3.0
   43    48    49    57   0.46850  1.0 1.0
   43    48    49    57   0.08550 -1.0 2.0
   43    48    49    57   0.09800  1.0 3.0
   43    48    51    52   7.00000 -1.0 2.0
   43    48    51    53   7.00000 -1.0 2.0
   43    64    65    41   0.56750  1.0 1.0
   43    64    65    41  -0.07550 -1.0 2.0
   43    64    65    41   0.20000  1.0 3.0
   43    64    65    70  -0.95700  1.0 1.0
   43    64    65    70  -0.18200 -1.0 2.0
   43    64    65    70   0.29450  1.0 3.0
   43    64    65    73   0.86500  1.0 1.0
   43    64    65    73  -0.17500 -1.0 2.0
   43    64    65    73   0.20800  1.0 3.0
   43    64    66    67   0.15000  1.0 3.0
   43    64    66    68   0.15000  1.0 3.0
   43    64    66    69   0.15000  1.0 3.0
   44    43    48    49   0.34800  1.0 3.0
   44    43    48    51   0.00000  1.0 1.0
   44    43    64    61   0.15000  1.0 3.0
   44    43    64    65   0.15000  1.0 3.0
   44    43    64    66   0.15000  1.0 3.0
   48    43    64    61   0.34400  1.0 1.0
   48    43    64    61   0.09450 -1.0 2.0
   48    43    64    61   0.11100  1.0 3.0
   48    43    64    65   0.34400  1.0 1.0
   48    43    64    65   0.09450 -1.0 2.0
   48    43    64    65   0.11100  1.0 3.0
   48    43    64    66   0.34400  1.0 1.0
   48    43    64    66   0.09450 -1.0 2.0
   48    43    64    66   0.11100  1.0 3.0
   48    49    54    55   0.15000  1.0 3.0
   48    49    54    56   0.15000  1.0 3.0
   48    49   -54    61   0.34400  1.0 1.0
   48    49   -54    61   0.09450 -1.0 2.0
   48    49   -54    61   0.11100  1.0 3.0
   48    49    57    58   0.15000  1.0 3.0
   48    49    57    59   0.15000  1.0 3.0
   48    49    57    60   0.15000  1.0 3.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    53   7.00000 -1.0 2.0
   49    54    61    62   0.15000  1.0 3.0
   49    54    61    63   0.15000  1.0 3.0
   49    54    61    64   0.56750  1.0 1.0
   49    54    61    64  -0.07550 -1.0 2.0
   49    54    61    64   0.20000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    60   0.15000  1.0 3.0
   54    49    57    58   0.15000  1.0 3.0
   54    49    57    59   0.15000  1.0 3.0
   54    49    57    60   0.15000  1.0 3.0
   54    61   -64    43   0.56750  1.0 1.0
   54    61   -64    43  -0.07550 -1.0 2.0
   54    61   -64    43   0.20000  1.0 3.0
   54    61    64    65   0.56750  1.0 1.0
   54    61    64    65  -0.07550 -1.0 2.0
   54    61    64    65   0.20000  1.0 3.0
   54    61    64    66   0.56750  1.0 1.0
   54    61    64    66  -0.07550 -1.0 2.0
   54    61    64    66   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    65    41   0.56750  1.0 1.0
   61    64    65    41  -0.07550 -1.0 2.0
   61    64    65    41   0.20000  1.0 3.0
   61    64    65    70  -0.95700  1.0 1.0
   61    64    65    70  -0.18200 -1.0 2.0
   61    64    65    70   0.29450  1.0 3.0
   61    64    65    73   0.86500  1.0 1.0
   61    64    65    73  -0.17500 -1.0 2.0
   61    64    65    73   0.20800  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.15000  1.0 3.0
   61    64    66    69   0.15000  1.0 3.0
   62    61    64    43   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   63    61    64    43   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   64    43   -48    49   0.46850  1.0 1.0
   64    43   -48    49   0.08550 -1.0 2.0
   64    43   -48    49   0.09800  1.0 3.0
   64    43    48    51   0.09850  1.0 1.0
   64    43    48    51   0.15250 -1.0 2.0
   64    43    48    51  -0.50650  1.0 3.0
   64    65   -41    33   0.56750  1.0 1.0
   64    65   -41    33  -0.07550 -1.0 2.0
   64    65   -41    33   0.20000  1.0 3.0
   64    65    41    42   0.15000  1.0 3.0
   64    65    41    45  -0.95700  1.0 1.0
   64    65    41    45  -0.18200 -1.0 2.0
   64    65    41    45   0.29450  1.0 3.0
   64    65    70    71   0.30150 -1.0 2.0
   64    65    70    72   0.74550  1.0 1.0
   64    65    70    72  -0.00500 -1.0 2.0
   64    65    73    74  -0.11600  1.0 1.0
   64    65    73    74  -0.09450 -1.0 2.0
   64    65    73    74   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    41    45    46   0.30150 -1.0 2.0
   65    41    45    47   0.74550  1.0 1.0
   65    41    45    47  -0.00500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    43   0.56750  1.0 1.0
   41    33   -38    43  -0.07550 -1.0 2.0
   41    33   -38    43   0.20000  1.0 3.0
   41    65    70    71   0.30150 -1.0 2.0
   41    65    70    72   0.74550  1.0 1.0
   41    65    70    72  -0.00500 -1.0 2.0
   41    65    73    74  -0.11600  1.0 1.0
   41    65    73    74  -0.09450 -1.0 2.0
   41    65    73    74   0.21250  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   70    65    41    33  -0.95700  1.0 1.0
   70    65    41    33  -0.18200 -1.0 2.0
   70    65    41    33   0.29450  1.0 3.0
   70    65    41    42  -0.11250  1.0 3.0
   70    65    41    45   0.11950  1.0 1.0
   70    65    41    45   0.20300 -1.0 2.0
   70    65    41    45  -0.70800  1.0 3.0
   70    65    73    74   0.91850  1.0 1.0
   70    65    73    74   0.57950  1.0 3.0
   73    65    41    33   0.86500  1.0 1.0
   73    65    41    33  -0.17500 -1.0 2.0
   73    65    41    33   0.20800  1.0 3.0
   73    65    41    42   0.23400  1.0 3.0
   73    65    41    45  -0.09450  1.0 1.0
   73    65    41    45  -1.12950 -1.0 2.0
   73    65    41    45   0.54000  1.0 3.0
   73    65    70    71   0.30150 -1.0 2.0
   73    65    70    72   0.00000  1.0 1.0
   66    64    65    41   0.56750  1.0 1.0
   66    64    65    41  -0.07550 -1.0 2.0
   66    64    65    41   0.20000  1.0 3.0
   66    64    65    70  -0.95700  1.0 1.0
   66    64    65    70  -0.18200 -1.0 2.0
   66    64    65    70   0.29450  1.0 3.0
   66    64    65    73   0.86500  1.0 1.0
   66    64    65    73  -0.17500 -1.0 2.0
   66    64    65    73   0.20800  1.0 3.0
   57    49    54    55   0.15000  1.0 3.0
   57    49    54    56   0.15000  1.0 3.0
   57    49    54    61   0.56750  1.0 1.0
   57    49    54    61  -0.07550 -1.0 2.0
   57    49    54    61   0.20000  1.0 3.0
   51    48    49    50   0.00000  1.0 1.0
   51    48    49    54   0.09850  1.0 1.0
   51    48    49    54   0.15250 -1.0 2.0
   51    48    49    54  -0.50650  1.0 3.0
   51    48    49    57   0.09850  1.0 1.0
   51    48    49    57   0.15250 -1.0 2.0
   51    48    49    57  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    49    48    51   1.10000 -1.0 2.0
   41    47    45    46  10.50000 -1.0 2.0
   65    72    70    71  10.50000 -1.0 2.0
   52    53    51    48   1.10000 -1.0 2.0
END
