* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    125    197     364
    1     0 S   NP   _N1_     1    30.56131    93.58556   -17.15617
    2     1 S   H    _HN1     2     1.02788   104.78910    -6.25946
    3     1 S   H    _H1_     3     1.03464   130.91209   121.32615
    4     1 S   H    _H2_     4     1.02820    25.46796    95.03642
    5     1 S   CT   _CA1     5     1.50726    90.18661  -119.22375
    6     5 S   HC   _HA1     6     1.09671   104.60482    54.89098
    7     5 S   CO3  _C1_     7     1.54316   111.25790   -60.68517
    8     7 S   O2Z  _O11     8     1.26664   113.77152    55.07387
    9     7 S   O2Z  _O12     9     1.26017   116.87171  -124.64506
   10     5 S   CT   _CB1    10     1.52826   106.31157   170.72405
   11    10 S   HC   HB11    11     1.09874   109.26983   -43.93146
   12    10 S   HC   HB12    12     1.09714   109.44169    72.04312
   13    10 S   CT   _CG1    13     1.53115   114.30679  -165.14943
   14    13 S   HC   HG11    14     1.09434   111.88678   -70.90956
   15    13 S   HC   HG12    15     1.09574   110.59118    49.20975
   16    13 S   C    _CD1    16     1.51648   109.52125   168.35231
   17    16 S   O    _OE1    17     1.22822   121.77181  -111.38774
   18    16 S   N    _N2_    18     1.38435   112.79061    67.10511
   19    18 S   H    _HN2    19     1.01584   119.07071     7.26436
   20    18 S   CT1  _CA2    20     1.46179   123.53959  -169.24565
   21    20 S   HC   _HA2    21     1.09734   109.27084    -0.47560
   22    20 S   C    _C2_    22     1.53351   109.12583  -116.65403
   23    22 S   O    _O2_    23     1.23057   122.18525  -146.35996
   24    20 S   CT   _CB2    32     1.53910   110.98841   120.78779
   25    24 S   HC   HB21    33     1.09467   108.98560    60.99727
   26    24 S   HC   HB22    34     1.09355   109.56950   179.71061
   27    22 S   N    _N3_    24     1.38500   113.59523    41.17362
   28    27 S   H    _HN3    25     1.01504   118.93581    -0.53923
   29    24 S   S    _SG2    35     1.83391   110.99228   -60.25942
   30    27 S   CT   _CA3    26     1.45408   123.22611   175.54891
   31    30 S   HC   HA31    27     1.09543   108.94903    29.87880
   32    30 S   HC   HA32    28     1.09492   107.19488   146.77487
   33    29 S   CT   _C12    36     1.89366   103.53111   170.20871
   34    33 S   OM   _O36    37     1.32181   112.37106   -41.60886
   35    30 S   CO3  _C3_    29     1.52917   113.30958   -93.43886
   36    35 S   O2Z  _O31    30     1.26387   115.47692   -45.08515
   37    35 S   O2Z  _O32    31     1.26374   114.95911   135.92741
   38    33 S   CA   _C13    38     1.54875   106.83850    78.54618
   39    33 S   CM   _C5_    52     1.56201   106.28534  -157.58124
   40    38 S   CA   _C14    39     1.41435   121.91491   -84.66753
   41    40 S   HA   _H11    40     1.08832   120.55524    -2.57671
   42    39 S   CMA  _C6_    53     1.37619   129.36043    59.25069
   43    42 S   OM   _O33    54     1.26226   128.90786     1.32219
   44    40 S   CA   _C15    41     1.39903   121.99976   177.05350
   45    44 S   HA   _H12    42     1.08625   119.77513   179.94766
   46    42 S   NE   _N5_    55     1.40607   118.96885  -175.96279
   47    46 S   H    _H6_    56     1.01580   112.48837     0.71928
   48    44 S   CA   _C16    43     1.38972   120.15259    -0.33220
   49    48 S   HA   _H13    44     1.08582   120.15494  -180.00000
   50    46 S   CA   _C7_    57     1.42319   133.33613  -169.74712
   51    48 S   CA   _C17    45     1.38992   119.65610     0.09891
   52    51 S   HA   _H14    46     1.08627   119.10986   179.81977
   53    50 S   CA   _C8_    58     1.40078   116.60109  -166.71295
   54    53 S   HA   _H7_    59     1.08657   120.83938    -0.95859
   55    38 S   CA   _C18    47     1.40516   122.13814    91.45961
   56    53 S   CA   _C9_    60     1.39373   119.86631   178.94649
   57    56 S   HA   _H8_    61     1.08586   120.09275   179.81762
   58    55 S   SY   _S1_    48     1.75889   119.09423     6.35767
   59    58 S   OY   _O34    49     1.45153   107.81327   147.93294
   60    58 S   OY   _O35    50     1.44969   106.97603   -81.11575
   61    56 S   CA   _C10    62     1.38550   119.61438    -0.22468
   62    61 S   HA   _H9_    63     1.08356   121.24665   179.89347
   63    58 S   NS   _N4_    51     1.71634   100.70196    34.48948
   64    61 S   CA   _C11    64     1.38095   117.52820    -0.19077
   65    64 S   HA   _H10    65     1.08520   120.91890  -179.91844
   66    50 S   NB   _N6_    66     1.35809   123.01162    11.30117
   67    63 S   CT   _C4_    67     1.49356   116.23213    72.77422
   68    67 S   HC   _H3_    68     1.09389   109.75825    59.42755
   69    67 S   HC   _H4_    69     1.09326   111.63543   -62.21073
   70    67 S   HC   _H5_    70     1.09503   110.25927   177.21077
  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
  14   6   2   1   1  14  15   8   4   9   4   6   3   8   3   5
   3   8   6   2   7   4   5   6   3   7   3   2   4   3   4   2
   1   1   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    40    55    63    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    51    55    58    63    39    42    43    46    67  
   38    40    55    63    39    42  
   36    37  
   37  
    0  
   40    41    44    45    48    51    52    55    58    59    60    63    39    42  
   42    43    46    47    50    67    68    69    70    40    55    58    59    60    63  
   41    44    45    48    49    51    55    58  
   44    45    48    55  
   43    46    47    50    53    66    67    58    63  
   46    47    50    63  
   45    48    49    51    52    55  
   48    49    51  
   47    50    53    54    56    64    66    63  
   50    53    66  
   49    51    52    55    58  
   51    52    55  
   53    54    56    57    61    64    65    66  
   52    55    58    59    60    63  
   55    58  
   54    56    57    61    62    64    66  
   56    57    61    66  
   58    59    60    63    67  
   57    61    62    64    65    66  
   61    62    64  
   59    60    63    67    68    69    70  
   60    63    67  
   63    67  
   62    64    65    66  
   64    65    66  
   67    68    69    70  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.2500   0.1700  -1.076200   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.685000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   59   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.418000   1.8100   1.6000   0.054801302  -1.445846770
   64   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   67   3.5000   0.0660   0.022200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.073300   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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    55   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    58   225.000  1.779
   58    59   735.000  1.471
   58    60   735.000  1.471
   58    63   245.000  1.722
   63    39   380.000  1.395
   63    67   300.000  1.458
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    46   415.000  1.382
   46    47   434.000  1.010
   46    50   481.000  1.340
   50    53   469.000  1.400
   50    66   483.000  1.339
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    65   367.000  1.080
   64    66   483.000  1.339
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    63    70.00000  115.00000
   33    39    42    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    40    41    35.00000  120.00000
   38    40    44    63.00000  120.00000
   38    55    51    63.00000  120.00000
   38    55    58    65.00000  117.06700
   40    44    45    35.00000  120.00000
   40    44    48    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    51    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    55    58    65.00000  117.06700
   55    38    40    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    58    59   100.00000  107.67100
   55    58    60   100.00000  107.67100
   55    58    63    95.00000  101.59200
   58    63    39    75.00000  117.67500
   58    63    67    75.00000  117.08200
   60    58    59   115.00000  120.17200
   63    58    59   115.00000  107.22500
   63    58    60   115.00000  107.22500
   63    39    42    65.00000  121.22700
   63    67    68    50.00000  109.35000
   63    67    69    50.00000  109.35000
   63    67    70    50.00000  109.35000
   39    33    34    85.00000  110.90400
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    46    75.00000  114.40000
   42    46    47    50.00000  121.48000
   42    46    50    75.00000  121.78000
   46    42    43   105.00000  113.92000
   46    50    53    70.00000  120.10000
   46    50    66    80.00000  117.25000
   50    46    47    35.00000  113.50000
   50    53    54    35.00000  120.00000
   50    53    56    63.00000  120.00000
   50    66    64    70.00000  117.00000
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    64    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    66    70.00000  124.00000
   64    61    62    35.00000  120.00000
   66    50    53    70.00000  124.00000
   66    64    65    35.00000  116.00000
   67    63    39    70.00000  118.22000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    63   0.09700  1.0 1.0
   29    33    39    63   0.15600 -1.0 2.0
   29    33    39    63  -0.50800  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    55    51   3.62500 -1.0 2.0
   33    38    55    58   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    46   7.00000 -1.0 2.0
   34    33    38    40   0.64500  1.0 1.0
   34    33    38    40   0.14800 -1.0 2.0
   34    33    38    40   0.20650  1.0 3.0
   34    33    38    55   0.64500  1.0 1.0
   34    33    38    55   0.14800 -1.0 2.0
   34    33    38    55   0.20650  1.0 3.0
   34    33    39    63   0.09700  1.0 1.0
   34    33    39    63   0.15600 -1.0 2.0
   34    33    39    63  -0.50800  1.0 3.0
   34    33    39    42   0.39000  1.0 1.0
   34    33    39    42  -0.05800 -1.0 2.0
   34    33    39    42  -0.55150  1.0 3.0
   38    33    39    63   0.09700  1.0 1.0
   38    33    39    63   0.15600 -1.0 2.0
   38    33    39    63  -0.50800  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    48   3.62500 -1.0 2.0
   38    55    58    59   0.19500  1.0 1.0
   38    55    58    59   0.12000 -1.0 2.0
   38    55    58    60   0.19500  1.0 1.0
   38    55    58    60   0.12000 -1.0 2.0
   38    55   -58    63  -0.49050  1.0 1.0
   38    55   -58    63   0.22250 -1.0 2.0
   38    55   -58    63  -0.39350  1.0 3.0
   40    38    55    51   3.62500 -1.0 2.0
   40    38    55    58   3.62500 -1.0 2.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44   -48    51   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    48   3.62500 -1.0 2.0
   44    48    51    52   3.62500 -1.0 2.0
   44    48    51    55   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    51   3.62500 -1.0 2.0
   48    51   -55    38   3.62500 -1.0 2.0
   48    51    55    58   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    55   3.62500 -1.0 2.0
   51    55    58    59   0.19500  1.0 1.0
   51    55    58    59   0.12000 -1.0 2.0
   51    55    58    60   0.19500  1.0 1.0
   51    55    58    60   0.12000 -1.0 2.0
   51    55    58    63  -0.49050  1.0 1.0
   51    55    58    63   0.22250 -1.0 2.0
   51    55    58    63  -0.39350  1.0 3.0
   52    51    55    38   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   55    38    40    41   3.62500 -1.0 2.0
   55    38   -40    44   3.62500 -1.0 2.0
   55    58    63    39  -0.64500  1.0 1.0
   55    58    63    39  -1.19050 -1.0 2.0
   55    58    63    39  -0.04400  1.0 3.0
   55    58    63    67  -0.64500  1.0 1.0
   55    58    63    67  -1.19050 -1.0 2.0
   55    58    63    67  -0.04400  1.0 3.0
   58    63   -39    33   2.00000 -1.0 2.0
   58    63    39    42   2.00000 -1.0 2.0
   58    63    67    68   0.15000  1.0 3.0
   58    63    67    69   0.15000  1.0 3.0
   58    63    67    70   0.15000  1.0 3.0
   59    58    63    39   0.75000  1.0 3.0
   59    58    63    67  -0.30400  1.0 1.0
   59    58    63    67   0.50450 -1.0 2.0
   59    58    63    67   0.65550  1.0 3.0
   60    58    63    39   0.75000  1.0 3.0
   60    58    63    67  -0.30400  1.0 1.0
   60    58    63    67   0.50450 -1.0 2.0
   60    58    63    67   0.65550  1.0 3.0
   63    39    42    43   7.00000 -1.0 2.0
   63    39    42    46   7.00000 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33   -38    55   0.18050 -1.0 2.0
   39    63    67    68   0.23200  1.0 1.0
   39    63    67    68   0.02100 -1.0 2.0
   39    63    67    68   0.24950  1.0 3.0
   39    63    67    69   0.23200  1.0 1.0
   39    63    67    69   0.02100 -1.0 2.0
   39    63    67    69   0.24950  1.0 3.0
   39    63    67    70   0.23200  1.0 1.0
   39    63    67    70   0.02100 -1.0 2.0
   39    63    67    70   0.24950  1.0 3.0
   39    42    46    47   1.00000 -1.0 2.0
   39    42    46    50  -0.54500  1.0 1.0
   39    42    46    50   1.14150 -1.0 2.0
   42    46    50    53   0.70250  1.0 1.0
   42    46    50    53   1.56150 -1.0 2.0
   42    46    50    66   0.96250 -1.0 2.0
   43    42    46    47   1.00000 -1.0 2.0
   43    42    46    50   1.00000 -1.0 2.0
   46    50    53    54   3.62500 -1.0 2.0
   46    50    53    56   3.62500 -1.0 2.0
   46    50    66    64   3.62500 -1.0 2.0
   47    46    50    53   1.00000 -1.0 2.0
   47    46    50    66   1.75000 -1.0 2.0
   50    53    56    57   3.62500 -1.0 2.0
   50    53    56    61   3.62500 -1.0 2.0
   53    50    66    64   3.62500 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   53    56   -61    64   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    61   3.62500 -1.0 2.0
   56    61    64    65   3.62500 -1.0 2.0
   56    61    64    66   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    64   3.62500 -1.0 2.0
   61    64   -66    50   3.62500 -1.0 2.0
   62    61    64    65   3.62500 -1.0 2.0
   62    61    64    66   3.62500 -1.0 2.0
   65    64    66    50   3.62500 -1.0 2.0
   66    50    53    54   3.62500 -1.0 2.0
   66    50   -53    56   3.62500 -1.0 2.0
   67    63    39    33   2.00000 -1.0 2.0
   67    63    39    42   2.00000 -1.0 2.0
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
   40    55    38    33   4.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   51    49    48    44   1.10000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   51    58    55    38   4.00000 -1.0 2.0
   67    58    63    39   1.00000 -1.0 2.0
   33    63    39    42   1.10000 -1.0 2.0
   46    43    42    39   1.10000 -1.0 2.0
   47    42    46    50   1.00000 -1.0 2.0
   53    66    50    46   4.00000 -1.0 2.0
   56    54    53    50   1.10000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   64    62    61    56   1.10000 -1.0 2.0
   66    65    64    61   1.10000 -1.0 2.0
END
