* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    131    207     391
    1     0 S   NP   _N1_     1    28.42497    95.96916   -20.40964
    2     1 S   H    _HN1     2     1.02956    80.43146   -23.78353
    3     1 S   H    _H1_     3     1.02840    38.45048   110.07261
    4     1 S   H    _H2_     4     1.02786    91.17968  -132.10254
    5     1 S   CT   _CA1     5     1.50092   147.99792    89.76746
    6     5 S   HC   _HA1     6     1.09587   105.24161    72.63711
    7     5 S   CO3  _C1_     7     1.53925   112.18451   -47.36170
    8     7 S   O2Z  _O11     8     1.26334   115.04615   -50.47454
    9     7 S   O2Z  _O12     9     1.26310   115.03879   128.68466
   10     5 S   CT   _CB1    10     1.53216   107.35797  -169.72054
   11    10 S   HC   HB11    11     1.09809   109.55675   -52.26910
   12    10 S   HC   HB12    12     1.09805   110.44268    64.45360
   13    10 S   CT   _CG1    13     1.52836   112.25184  -173.32039
   14    13 S   HC   HG11    14     1.09324   109.78638   -63.36603
   15    13 S   HC   HG12    15     1.09642   110.02379    55.69021
   16    13 S   C    _CD1    16     1.51711   112.96940   177.08664
   17    16 S   O    _OE1    17     1.22722   123.34193     4.37529
   18    16 S   N    _N2_    18     1.38625   111.57005  -176.17075
   19    18 S   H    _HN2    19     1.01570   118.89926     5.34258
   20    18 S   CT1  _CA2    20     1.45726   122.92870   178.98548
   21    20 S   HC   _HA2    21     1.09722   108.75044    28.10563
   22    20 S   C    _C2_    22     1.52941   107.01208   -89.02459
   23    22 S   O    _O2_    23     1.22971   123.05635   -27.78533
   24    20 S   CT   _CB2    32     1.53220   112.39067   151.38924
   25    24 S   HC   HB21    33     1.09487   110.44557    56.69236
   26    24 S   HC   HB22    34     1.09560   110.18996   174.18837
   27    22 S   N    _N3_    24     1.38489   112.53630   155.03304
   28    27 S   H    _HN3    25     1.01650   120.38410    -2.43140
   29    24 S   S    _SG2    35     1.82892   111.75683   -67.15211
   30    27 S   CT   _CA3    26     1.45356   122.49580   178.55626
   31    30 S   HC   HA31    27     1.09566   107.82174   -55.58944
   32    30 S   HC   HA32    28     1.09561   107.61044    60.75853
   33    29 S   CT   _C10    36     1.84592   100.30165   126.67979
   34    33 S   HC   _H3_    37     1.09734   106.84490    43.67331
   35    30 S   CO3  _C3_    29     1.52893   114.28967  -177.50684
   36    35 S   O2Z  _O31    30     1.26340   116.04521    -0.35827
   37    35 S   O2Z  _O32    31     1.26432   114.41746   179.61134
   38    33 S   CA   _C9_    38     1.51865   110.77456   -75.70463
   39    33 S   CT   _C11    50     1.53588   108.38185   159.27073
   40    39 S   HC   _H11    51     1.09643   113.48692    71.48838
   41    39 S   HC   _H12    52     1.09844   110.98628   -47.55208
   42    38 S   CA   _C4_    39     1.40431   119.78959   112.68419
   43    42 S   HA   _H7_    40     1.08765   120.50781     1.76614
   44    39 S   CO4  _C12    53     1.51002   111.18078  -165.11989
   45    44 S   O    _O33    54     1.22412   123.54549    90.75137
   46    42 S   CA   _C5_    41     1.39619   120.79447  -177.71595
   47    46 S   HA   _H8_    42     1.08641   119.80949   179.34898
   48    44 S   OS   _O34    55     1.36166   110.27390   -88.46916
   49    46 S   CA   _C6_    43     1.38999   119.65496    -0.28393
   50    48 S   CT   _C13    56     1.44491   117.40392   179.43698
   51    50 S   HC   _H4_    57     1.09786   109.11442    40.16305
   52    49 S   CA   _C7_    44     1.39085   120.65427    -1.24867
   53    52 S   HA   _H9_    45     1.08624   120.88880  -179.53691
   54    49 S   OH   _O39    48     1.36586   118.39995   178.03866
   55    54 S   HO   _H18    49     0.97645   108.49225  -165.71159
   56    50 S   CT   _C14    58     1.54275   110.56703   -79.55275
   57    56 S   HC   _H13    59     1.09726   108.86736   158.76617
   58    56 S   HC   _H14    60     1.09537   109.27927    41.74040
   59    38 S   CA   _C8_    46     1.40541   121.76614   -66.33791
   60    59 S   HA   _H10    47     1.08716   120.63768    -0.87603
   61    56 S   CM   _C15    61     1.51009   114.28291   -81.06850
   62    61 S   CM   _C16    62     1.34370   122.82764    -9.80991
   63    62 S   HC   _H15    63     1.08711   120.13795   177.35529
   64    61 S   CO3  _C19    72     1.54582   118.19853   169.58779
   65    64 S   O2Z  _O38    73     1.26458   116.04858   149.26682
   66    64 S   O2Z  _O37    74     1.26536   115.09048   -30.23257
   67    62 S   CT   _C17    64     1.50254   122.94383    -1.09985
   68    67 S   HC   _H5_    65     1.09654   107.79185   103.18870
   69    50 S   CT   _C18    66     1.53343   107.88203   158.55609
   70    69 S   HC   _H6_    67     1.09667   110.76911   -56.21171
   71    67 S   OH   _O36    70     1.42586   110.38693  -140.44489
   72    71 S   HO   _H17    71     0.97216   107.73756   -52.93805
   73    69 S   OH   _O35    68     1.42996   109.46398  -174.04438
   74    73 S   HO   _H16    69     0.97203   107.58595    60.53376
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   6  14   8   5   3   2   1  12   5   4   1   1   9  11   5   3
   1   1   7   5   5   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    59    60    39    40    41    44    45    48  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    53    59    60    39    40    41    44  
   40    41    44    45    48    50    42    59  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    59    60    54  
   46    47    49    59  
   45    48    50    51    56    69  
   48    50  
   47    49    52    53    59    54    55  
   49    52    54  
   50    51    56    57    58    61    67    69    70    73  
   52    53    59    60    54    55  
   51    56    57    58    61    62    67    68    69    70    73    74    71    64  
   56    57    58    61    67    69    70    73  
   53    59    60    54    55  
   59    60    54  
   55    59  
    0  
   57    58    61    62    63    67    69    70    73    64    65    66  
   58    61    62    69    64  
   61    62    69    64  
   60  
    0  
   62    63    67    68    69    71    64    65    66  
   63    67    68    69    70    73    71    72    64    65    66  
   67    68    69    71    64  
   65    66    67  
   66  
    0  
   68    69    70    73    74    71    72  
   69    70    73    71    72  
   70    73    74    71    72  
   73    74    71  
   72    73  
    0  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    59   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    59   469.000  1.400
   59    60   367.000  1.080
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    69   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.510
   61    62   549.000  1.340
   61    64   230.000  1.545
   62    63   340.000  1.080
   62    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    73   320.000  1.410
   73    74   553.000  0.945
   71    72   553.000  0.945
   64    65   656.000  1.250
   64    66   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    59    52    63.00000  120.00000
   38    59    60    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    59    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    59    60    35.00000  120.00000
   59    38    42    63.00000  120.00000
   59    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    56    50.00000  109.50000
   48    50    69    50.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    61    70.00000  112.02700
   50    69    67    58.35000  112.70000
   50    69    70    37.50000  110.70000
   50    69    73    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    61    62    70.00000  124.00000
   56    61    64    65.00000  117.04000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    62    63    35.00000  120.00000
   61    62    67    70.00000  124.00000
   61    64    65    85.00000  113.83300
   61    64    66    85.00000  113.83300
   62    67    68    35.00000  109.50000
   62    67    69    70.00000  112.02700
   62    67    71    90.00000  110.39200
   67    62    63    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    73    50.00000  109.50000
   67    71    72    55.00000  108.50000
   69    50    51    37.50000  110.70000
   69    50    56    58.35000  112.70000
   69    67    68    37.50000  110.70000
   69    73    74    55.00000  108.50000
   73    69    70    35.00000  109.50000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   64    61    62    55.00000  124.75400
   66    64    65    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    59    52   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    59    52   3.62500 -1.0 2.0
   42    38    59    60   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    54    55   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -59    38   3.62500 -1.0 2.0
   49    52    59    60   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   53    52    59    38   3.62500 -1.0 2.0
   53    52    59    60   3.62500 -1.0 2.0
   59    38    42    43   3.62500 -1.0 2.0
   59    38   -42    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    56  -0.25900  1.0 1.0
   44    48    50    56  -0.47000 -1.0 2.0
   44    48    50    56   0.11750  1.0 3.0
   44    48    50    69  -0.25900  1.0 1.0
   44    48    50    69  -0.47000 -1.0 2.0
   44    48    50    69   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    56    57   0.23400  1.0 3.0
   48    50    56    58   0.23400  1.0 3.0
   48    50    56    61   0.61850  1.0 1.0
   48    50    56    61  -0.22750 -1.0 2.0
   48    50    56    61   0.15300  1.0 3.0
   48    50    69    67   0.62750  1.0 1.0
   48    50    69    67  -0.30950 -1.0 2.0
   48    50    69    67   0.27300  1.0 3.0
   48    50    69    70   0.23400  1.0 3.0
   48    50    69    73   3.69350  1.0 1.0
   48    50    69    73  -1.82950 -1.0 2.0
   50    56    61    62   0.09850  1.0 1.0
   50    56    61    62   0.15250 -1.0 2.0
   50    56    61    62  -0.50650  1.0 3.0
   50    56    61    64   0.09700  1.0 1.0
   50    56    61    64   0.15600 -1.0 2.0
   50    56    61    64  -0.50800  1.0 3.0
   50    69    73    74  -0.11600  1.0 1.0
   50    69    73    74  -0.09450 -1.0 2.0
   50    69    73    74   0.21250  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    61   0.15000  1.0 3.0
   51    50    69    67   0.15000  1.0 3.0
   51    50    69    70   0.15000  1.0 3.0
   51    50    69    73   0.23400  1.0 3.0
   56    50    69    67   0.56750  1.0 1.0
   56    50    69    67  -0.07550 -1.0 2.0
   56    50    69    67   0.20000  1.0 3.0
   56    50    69    70   0.15000  1.0 3.0
   56    50    69    73   0.86500  1.0 1.0
   56    50    69    73  -0.17500 -1.0 2.0
   56    50    69    73   0.20800  1.0 3.0
   56    61    62    63   7.00000 -1.0 2.0
   56    61   -62    67   7.00000 -1.0 2.0
   56    61    64    65  -0.64400  1.0 1.0
   56    61    64    65   0.26850 -1.0 2.0
   56    61    64    66  -0.64400  1.0 1.0
   56    61    64    66   0.26850 -1.0 2.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    64   0.15000  1.0 3.0
   58    56    61    62   0.00000  1.0 1.0
   58    56    61    64   0.15000  1.0 3.0
   61    62    67    68   0.00000  1.0 1.0
   61    62    67    69   0.09850  1.0 1.0
   61    62    67    69   0.15250 -1.0 2.0
   61    62    67    69  -0.50650  1.0 3.0
   61    62    67    71   0.67800  1.0 1.0
   61    62    67    71   0.47050 -1.0 2.0
   61    62    67    71  -0.62500  1.0 3.0
   62    61    64    65  -0.04000 -1.0 2.0
   62    61    64    65  -0.29050  1.0 3.0
   62    61    64    66  -0.04000 -1.0 2.0
   62    61    64    66  -0.29050  1.0 3.0
   62    67   -69    50   0.34400  1.0 1.0
   62    67   -69    50   0.09450 -1.0 2.0
   62    67   -69    50   0.11100  1.0 3.0
   62    67    69    70   0.15000  1.0 3.0
   62    67    69    73   1.05650  1.0 1.0
   62    67    69    73   0.15600 -1.0 2.0
   62    67    69    73   0.53150  1.0 3.0
   62    67    71    72  -0.07800  1.0 1.0
   62    67    71    72  -0.21500 -1.0 2.0
   62    67    71    72  -0.03150  1.0 3.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    71   0.00000  1.0 1.0
   67    69    73    74  -0.11600  1.0 1.0
   67    69    73    74  -0.09450 -1.0 2.0
   67    69    73    74   0.21250  1.0 3.0
   68    67    69    50   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    50    56    57   0.15000  1.0 3.0
   69    50    56    58   0.15000  1.0 3.0
   69    50   -56    61   0.34400  1.0 1.0
   69    50   -56    61   0.09450 -1.0 2.0
   69    50   -56    61   0.11100  1.0 3.0
   69    67    71    72  -0.11600  1.0 1.0
   69    67    71    72  -0.09450 -1.0 2.0
   69    67    71    72   0.21250  1.0 3.0
   70    69    73    74   0.19450  1.0 3.0
   71    67    69    50   0.86500  1.0 1.0
   71    67    69    50  -0.17500 -1.0 2.0
   71    67    69    50   0.20800  1.0 3.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73   3.75450  1.0 1.0
   64    61    62    63   7.00000 -1.0 2.0
   64    61    62    67   7.00000 -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
   42    59    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   59    53    52    49   1.10000 -1.0 2.0
   52    60    59    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   56    64    61    62   1.10000 -1.0 2.0
   67    63    62    61   1.10000 -1.0 2.0
   65    61    64    66  10.50000 -1.0 2.0
END
