* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    143    230     422
    1     0 S   NP   _N1_     1    30.64991    93.95011   -16.57711
    2     1 S   H    _HN1     2     1.02988   122.11614   136.32167
    3     1 S   H    _H1_     3     1.02806    21.71821    85.87698
    4     1 S   H    _H2_     4     1.02892   112.93985     5.25162
    5     1 S   CT   _CA1     5     1.50214    90.06590  -109.19566
    6     5 S   HC   _HA1     6     1.09560   105.39136    51.57413
    7     5 S   CO3  _C1_     7     1.53748   112.38525   -69.03611
    8     7 S   O2Z  _O11     8     1.26359   115.08821   -49.45534
    9     7 S   O2Z  _O12     9     1.26240   114.90830   129.87419
   10     5 S   CT   _CB1    10     1.52867   107.22550   169.39206
   11    10 S   HC   HB11    11     1.09850   109.35449   -52.94035
   12    10 S   HC   HB12    12     1.09628   109.90932    63.06506
   13    10 S   CT   _CG1    13     1.53071   113.44192  -174.53119
   14    13 S   HC   HG11    14     1.09560   111.31535   -67.08480
   15    13 S   HC   HG12    15     1.09578   110.68251    52.60830
   16    13 S   C    _CD1    16     1.51474   109.83984   172.17000
   17    16 S   O    _OE1    17     1.22810   121.73117  -105.69355
   18    16 S   N    _N2_    18     1.38466   112.78107    72.50969
   19    18 S   H    _HN2    19     1.01563   119.13785     6.03572
   20    18 S   CT1  _CA2    20     1.46220   123.30817  -171.75395
   21    20 S   HC   _HA2    21     1.09723   109.35363   -10.13630
   22    20 S   C    _C2_    22     1.53315   108.75716  -126.23867
   23    22 S   O    _O2_    23     1.23028   122.18048  -146.80167
   24    20 S   CT   _CB2    32     1.53755   111.13781   111.48834
   25    24 S   HC   HB21    33     1.09412   109.19885    59.99026
   26    24 S   HC   HB22    34     1.09439   110.04075   178.39672
   27    22 S   N    _N3_    24     1.38486   113.45811    40.62382
   28    27 S   H    _HN3    25     1.01527   118.93811    -0.48173
   29    24 S   S    _SG2    35     1.83030   111.26008   -61.63283
   30    27 S   CT   _CA3    26     1.45432   123.30074   175.30460
   31    30 S   HC   HA31    27     1.09536   109.03089    28.01843
   32    30 S   HC   HA32    28     1.09491   107.16260   144.97400
   33    29 S   CT   _C13    36     1.88393   101.58130   163.19107
   34    30 S   CO3  _C3_    29     1.52934   113.30212   -95.32825
   35    34 S   O2Z  _O31    30     1.26386   115.49047   -42.91968
   36    34 S   O2Z  _O32    31     1.26370   114.92787   138.05684
   37    33 S   CM   _C9_    37     1.54440   106.07448  -169.88522
   38    33 S   CT   _C14    67     1.55402   110.95068    68.62383
   39    38 S   HC   _H15    68     1.09611   111.39319   -35.77752
   40    38 S   HC   _H16    69     1.10103   108.00367  -149.62055
   41    37 S   CMA  _C10    38     1.35664   121.58529    89.61017
   42    41 S   OM   _O34    39     1.26102   132.55873  -177.59303
   43    37 S   CT   _C8_    57     1.53221   116.19671   -94.19323
   44    43 S   HC   _H4_    58     1.09592   110.77936  -172.92973
   45    41 S   CT   _C11    40     1.51735   115.38315     6.62531
   46    45 S   HC   _H13    41     1.10021   112.29679   157.13260
   47    45 S   HC   _H14    42     1.09671   108.82296   -84.56123
   48    43 S   CT   _C7_    59     1.53346   113.39818    62.29192
   49    48 S   HC   _H11    60     1.09727   110.30487   154.14408
   50    48 S   HC   _H12    61     1.09356   113.60587    34.54159
   51    45 S   CT   _C12    43     1.53375   108.69720    36.86003
   52    51 S   HC   _H5_    44     1.09881   110.26461    55.65925
   53    48 S   CT   _C6_    62     1.52985   104.53323   -88.66620
   54    53 S   HC   _H9_    63     1.09322   112.80880   122.23902
   55    53 S   HC   _H10    64     1.09697   109.08706  -119.19672
   56    51 S   CA   _C15    45     1.51487   110.90442   176.24767
   57    33 S   OS   _O33    56     1.43977   107.07319   -47.02519
   58    53 S   CT   _C5_    65     1.53004   104.57434    -1.12030
   59    58 S   HC   _H3_    66     1.09624   111.51788  -147.44061
   60    56 S   CA   _C16    46     1.40234   120.04994  -105.84923
   61    60 S   HA   _H17    47     1.08733   120.40560    -0.96571
   62    43 S   NT   _N4_    70     1.48040   106.87837   -51.72907
   63    60 S   CA   _C17    48     1.39628   120.57826   178.78856
   64    63 S   HA   _H18    49     1.08625   119.91343  -179.98022
   65    62 S   CT   _C4_    71     1.46015   113.07780  -161.04632
   66    65 S   HC   _H6_    72     1.09558   109.96062  -179.42359
   67    65 S   HC   _H7_    73     1.09555   110.03020    63.44486
   68    65 S   HC   _H8_    74     1.09466   114.01907   -58.06327
   69    63 S   CA   _C18    50     1.39341   120.11419    -0.23739
   70    69 S   HA   _H19    51     1.08606   120.06028  -179.76593
   71    69 S   CA   _C19    52     1.39292   119.91563     0.04846
   72    71 S   HA   _H20    53     1.08628   120.05535  -179.61488
   73    56 S   CA   _C20    54     1.40324   121.26200    72.60937
   74    73 S   HA   _H21    55     1.08623   120.31216     1.16919
  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
  18   2   1   1  19  14   6   5  12   5  16   7   8   5   4   9
   6   5   9   4   6   4   3  10   3   6   2   8   4   4   6   3
   3   2   1   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    51    57    43    58    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    51    52    56    57    43    44    48    53    58    59    38    39    40    62  
   35    36  
   36  
    0  
   41    42    45    46    47    51    57    43    44    48    49    50    53    58    38    39    40    62    65  
   39    40    62    65    41    43    48    51    53    54    55    57    58    59  
   40    62    53    57    58    59  
   62    53    57    58    59  
   42    45    46    47    51    52    56    57    43    44    48    62  
   45    46    47    51    43  
   44    48    49    50    53    54    55    58    59    62    65    66    67    68    45    57  
   48    49    50    53    58    62    65  
   46    47    51    52    56    60    73    57  
   47    51    52    56    57  
   51    52    56    57  
   49    50    53    54    55    58    59    62    65  
   50    53    54    55    58    62  
   53    54    55    58    62  
   52    56    60    61    63    71    73    74    57  
   56    60    73    57  
   54    55    58    59    62    65  
   55    58    59    62  
   58    59    62  
   60    61    63    64    69    71    72    73    74    57  
   58    60    73  
   59    62    65    66    67    68  
   62    65  
   61    63    64    69    70    71    73    74  
   63    64    69    73  
   65    66    67    68  
   64    69    70    71    72    73  
   69    70    71  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72    73  
   72    73    74  
   73    74  
   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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    57   320.000  1.410
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    56   317.000  1.510
   51    57   320.000  1.410
   56    60   469.000  1.400
   56    73   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    62   382.000  1.448
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    38   268.000  1.529
   58    62   382.000  1.448
   38    39   340.000  1.090
   38    40   340.000  1.090
   62    65   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    57    85.00000  114.68000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    57    51    60.00000  109.50000
   33    38    58    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    45    65.00000  122.18000
   37    43    44    35.00000  109.50000
   37    43    48    70.00000  112.02700
   37    43    62    75.00000  110.70900
   41    45    46    45.00000  110.52000
   41    45    47    45.00000  110.52000
   41    45    51    70.00000  112.02700
   45    41    42    85.00000  112.85300
   45    51    52    37.50000  110.70000
   45    51    56    70.00000  112.17500
   45    51    57    50.00000  109.50000
   47    45    46    33.00000  107.80000
   51    45    46    37.50000  110.70000
   51    45    47    37.50000  110.70000
   51    56    60    70.00000  120.00000
   51    56    73    70.00000  120.00000
   56    51    52    35.00000  109.50000
   56    60    61    35.00000  120.00000
   56    60    63    63.00000  120.00000
   56    73    71    63.00000  120.00000
   56    73    74    35.00000  120.00000
   60    63    64    35.00000  120.00000
   60    63    69    63.00000  120.00000
   63    60    61    35.00000  120.00000
   63    69    70    35.00000  120.00000
   63    69    71    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   73    56    60    63.00000  120.00000
   73    71    72    35.00000  120.00000
   57    33    37    85.00000  110.90400
   57    51    52    35.00000  109.50000
   57    51    56    85.00000  111.85700
   43    37    41    70.00000  124.00000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    53    58.35000  112.70000
   43    62    58    51.80000  107.20000
   43    62    65    51.80000  107.20000
   48    43    44    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    38    58.35000  112.70000
   53    58    62    56.20000  109.47000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    38    39    37.50000  110.70000
   58    38    40    37.50000  110.70000
   58    62    65    51.80000  107.20000
   38    33    37    70.00000  112.02700
   38    33    57    50.00000  109.50000
   38    58    59    37.50000  110.70000
   40    38    39    33.00000  107.80000
   62    43    44    35.00000  109.50000
   62    43    48    56.20000  109.47000
   62    58    59    35.00000  109.50000
   62    58    38    56.20000  109.47000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    57    51   0.14700  1.0 1.0
   29    33    57    51  -1.16150 -1.0 2.0
   29    33    57    51   0.48700  1.0 3.0
   29    33    38    58   0.44750  1.0 1.0
   29    33    38    58  -0.17800 -1.0 2.0
   29    33    38    58   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    48   0.46850  1.0 1.0
   33    37    43    48   0.08550 -1.0 2.0
   33    37    43    48   0.09800  1.0 3.0
   33    37    43    62   0.52100  1.0 1.0
   33    37    43    62  -0.20350 -1.0 2.0
   33    37    43    62   0.29750  1.0 3.0
   37    33    57    51  -0.77900  1.0 1.0
   37    33    57    51  -0.36900 -1.0 2.0
   37    33    57    51   0.40400  1.0 3.0
   37    33    38    58   0.34400  1.0 1.0
   37    33    38    58   0.09450 -1.0 2.0
   37    33    38    58   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    45    46   0.00000  1.0 1.0
   37    41    45    47   0.00000  1.0 1.0
   37    41   -45    51   0.09850  1.0 1.0
   37    41   -45    51   0.15250 -1.0 2.0
   37    41   -45    51  -0.50650  1.0 3.0
   37    43    48    49   0.15000  1.0 3.0
   37    43    48    50   0.15000  1.0 3.0
   37    43    48    53   0.34400  1.0 1.0
   37    43    48    53   0.09450 -1.0 2.0
   37    43    48    53   0.11100  1.0 3.0
   37    43   -62    58  -0.60800  1.0 1.0
   37    43   -62    58   1.10050 -1.0 2.0
   37    43   -62    58   0.47000  1.0 3.0
   37    43    62    65  -0.60800  1.0 1.0
   37    43    62    65   1.10050 -1.0 2.0
   37    43    62    65   0.47000  1.0 3.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    48   0.09850  1.0 1.0
   41    37    43    48   0.15250 -1.0 2.0
   41    37    43    48  -0.50650  1.0 3.0
   41    37    43    62   0.90200  1.0 1.0
   41    37    43    62   0.57900 -1.0 2.0
   41    37    43    62  -0.62100  1.0 3.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    56   0.21200  1.0 1.0
   41    45    51    56   0.16900 -1.0 2.0
   41    45    51    56  -1.15100  1.0 3.0
   41    45    51    57   0.61850  1.0 1.0
   41    45    51    57  -0.22750 -1.0 2.0
   41    45    51    57   0.15300  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    51   0.09700  1.0 1.0
   42    41    45    51   0.15600 -1.0 2.0
   42    41    45    51  -0.50800  1.0 3.0
   45    51    56    60   0.04150 -1.0 2.0
   45    51    56    73   0.04150 -1.0 2.0
   45    51   -57    33   0.06250  1.0 1.0
   45    51   -57    33  -0.01100 -1.0 2.0
   45    51   -57    33   0.28050  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    56   0.43200  1.0 3.0
   46    45    51    57   0.23400  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    56   0.43200  1.0 3.0
   47    45    51    57   0.23400  1.0 3.0
   51    56    60    61   3.62500 -1.0 2.0
   51    56    60    63   3.62500 -1.0 2.0
   51    56    73    71   3.62500 -1.0 2.0
   51    56    73    74   3.62500 -1.0 2.0
   52    51    56    60   0.00000  1.0 1.0
   52    51    56    73   0.00000  1.0 1.0
   52    51    57    33   0.37050  1.0 3.0
   56    51    57    33   0.37500  1.0 3.0
   56    60    63    64   3.62500 -1.0 2.0
   56    60    63    69   3.62500 -1.0 2.0
   60    56    73    71   3.62500 -1.0 2.0
   60    56    73    74   3.62500 -1.0 2.0
   60    63    69    70   3.62500 -1.0 2.0
   60    63   -69    71   3.62500 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   61    60    63    69   3.62500 -1.0 2.0
   63    69    71    72   3.62500 -1.0 2.0
   63    69    71    73   3.62500 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    71   3.62500 -1.0 2.0
   69    71   -73    56   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   72    71    73    56   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    56    60    61   3.62500 -1.0 2.0
   73    56   -60    63   3.62500 -1.0 2.0
   57    33   -37    41   0.39000  1.0 1.0
   57    33   -37    41  -0.05800 -1.0 2.0
   57    33   -37    41  -0.55150  1.0 3.0
   57    33    37    43   0.09700  1.0 1.0
   57    33    37    43   0.15600 -1.0 2.0
   57    33    37    43  -0.50800  1.0 3.0
   57    33    38    58   0.62750  1.0 1.0
   57    33    38    58  -0.30950 -1.0 2.0
   57    33    38    58   0.27300  1.0 3.0
   57    33    38    39   0.23400  1.0 3.0
   57    33    38    40   0.23400  1.0 3.0
   57    51    56    60   0.64500  1.0 1.0
   57    51    56    60   0.14800 -1.0 2.0
   57    51    56    60   0.20650  1.0 3.0
   57    51    56    73   0.64500  1.0 1.0
   57    51    56    73   0.14800 -1.0 2.0
   57    51    56    73   0.20650  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    45   7.00000 -1.0 2.0
   43    48    53    54   0.15000  1.0 3.0
   43    48    53    55   0.15000  1.0 3.0
   43    48   -53    58   0.56750  1.0 1.0
   43    48   -53    58  -0.07550 -1.0 2.0
   43    48   -53    58   0.20000  1.0 3.0
   43    62    65    66   0.28000  1.0 3.0
   43    62    65    67   0.28000  1.0 3.0
   43    62    65    68   0.28000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    53   0.15000  1.0 3.0
   44    43    62    58   0.28000  1.0 3.0
   44    43    62    65   0.28000  1.0 3.0
   48    43   -62    58   0.23450  1.0 1.0
   48    43   -62    58   0.02050 -1.0 2.0
   48    43   -62    58   0.25250  1.0 3.0
   48    43    62    65   0.58650  1.0 1.0
   48    43    62    65   0.12600 -1.0 2.0
   48    43    62    65   0.33350  1.0 3.0
   48    53    58    59   0.15000  1.0 3.0
   48    53    58    38   0.56750  1.0 1.0
   48    53    58    38  -0.07550 -1.0 2.0
   48    53    58    38   0.20000  1.0 3.0
   48    53   -58    62   1.53400  1.0 1.0
   48    53   -58    62  -0.09950 -1.0 2.0
   48    53   -58    62   0.05700  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    58   0.15000  1.0 3.0
   53    58    38    33   0.56750  1.0 1.0
   53    58    38    33  -0.07550 -1.0 2.0
   53    58    38    33   0.20000  1.0 3.0
   53    58    38    39   0.15000  1.0 3.0
   53    58    38    40   0.15000  1.0 3.0
   53    58   -62    43   0.23450  1.0 1.0
   53    58   -62    43   0.02050 -1.0 2.0
   53    58   -62    43   0.25250  1.0 3.0
   53    58    62    65   0.58650  1.0 1.0
   53    58    62    65   0.12600 -1.0 2.0
   53    58    62    65   0.33350  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    38   0.15000  1.0 3.0
   54    53    58    62   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    38   0.15000  1.0 3.0
   55    53    58    62   0.15000  1.0 3.0
   58    62    65    66   0.28000  1.0 3.0
   58    62    65    67   0.28000  1.0 3.0
   58    62    65    68   0.28000  1.0 3.0
   59    58    38    33   0.15000  1.0 3.0
   59    58    38    39   0.15000  1.0 3.0
   59    58    38    40   0.15000  1.0 3.0
   59    58    62    43   0.28000  1.0 3.0
   59    58    62    65   0.28000  1.0 3.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    57    51   0.06250  1.0 1.0
   38    33    57    51  -0.01100 -1.0 2.0
   38    33    57    51   0.28050  1.0 3.0
   38    58   -62    43   0.23450  1.0 1.0
   38    58   -62    43   0.02050 -1.0 2.0
   38    58   -62    43   0.25250  1.0 3.0
   38    58    62    65   0.58650  1.0 1.0
   38    58    62    65   0.12600 -1.0 2.0
   38    58    62    65   0.33350  1.0 3.0
   62    43    48    49   0.15000  1.0 3.0
   62    43    48    50   0.15000  1.0 3.0
   62    43   -48    53   1.53400  1.0 1.0
   62    43   -48    53  -0.09950 -1.0 2.0
   62    43   -48    53   0.05700  1.0 3.0
   62    58   -38    33   1.53400  1.0 1.0
   62    58   -38    33  -0.09950 -1.0 2.0
   62    58   -38    33   0.05700  1.0 3.0
   62    58    38    39   0.15000  1.0 3.0
   62    58    38    40   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   60    73    56    51   4.00000 -1.0 2.0
   63    61    60    56   1.10000 -1.0 2.0
   69    64    63    60   1.10000 -1.0 2.0
   71    70    69    63   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    56   1.10000 -1.0 2.0
END
