* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    140    208     400
    1     0 S   NP   _N1_     1    28.91981    97.46789   -22.64148
    2     1 S   H    _HN1     2     1.02819   106.02314  -108.90255
    3     1 S   H    _H1_     3     1.02860    68.26914    -5.30688
    4     1 S   H    _H2_     4     1.02942    41.98045   152.20983
    5     1 S   CT   _CA1     5     1.50458   139.34229    92.46770
    6     5 S   HC   _HA1     6     1.09697   104.61779   100.97178
    7     5 S   CO3  _C1_     7     1.54341   110.91929   -15.03559
    8     7 S   O2Z  _O11     8     1.25995   116.65158  -113.68693
    9     7 S   O2Z  _O12     9     1.26558   113.83641    65.14714
   10     5 S   CT   _CB1    10     1.53100   107.00983  -143.07680
   11    10 S   HC   HB11    11     1.09846   109.84603   -44.16372
   12    10 S   HC   HB12    12     1.09769   110.32684    72.50987
   13    10 S   CT   _CG1    13     1.52989   112.26014  -164.66540
   14    13 S   HC   HG11    14     1.09411   110.89641   -62.53459
   15    13 S   HC   HG12    15     1.09664   109.65765    56.65195
   16    13 S   C    _CD1    16     1.51707   112.09139   177.53280
   17    16 S   O    _OE1    17     1.22746   123.16750    14.10897
   18    16 S   N    _N2_    18     1.38616   111.82206  -166.57243
   19    18 S   H    _HN2    19     1.01526   119.10388     3.78641
   20    18 S   CT1  _CA2    20     1.46142   123.35179   178.81485
   21    20 S   HC   _HA2    21     1.09729   109.22515     5.62371
   22    20 S   C    _C2_    22     1.53640   109.03792  -110.00595
   23    22 S   O    _O2_    23     1.23071   122.15180  -152.20923
   24    20 S   CT   _CB2    32     1.53489   111.65260   127.45892
   25    24 S   HC   HB21    33     1.09262   109.66227    60.66947
   26    24 S   HC   HB22    34     1.09485   109.39398   178.77092
   27    22 S   N    _N3_    24     1.38284   113.92864    35.21115
   28    27 S   H    _HN3    25     1.01549   119.55761    -3.52081
   29    24 S   S    _SG2    35     1.83344   111.22645   -62.00274
   30    27 S   CT   _CA3    26     1.45270   123.31325   177.33398
   31    30 S   HC   HA31    27     1.09547   107.54592   -63.76865
   32    30 S   HC   HA32    28     1.09553   107.96254    52.69545
   33    29 S   CT   _C9_    36     1.87602   102.57081   166.20522
   34    30 S   CO3  _C3_    29     1.52977   114.00510   174.61162
   35    34 S   O2Z  _O31    30     1.26390   116.05967    -1.80656
   36    34 S   O2Z  _O32    31     1.26424   114.43297   178.24610
   37    33 S   CM   _C8_    37     1.51393   111.11820    38.65410
   38    37 S   HC   _H9_    38     1.09069   116.82791    38.49031
   39    33 S   S    _S1_    72     1.90504   106.14771   153.46862
   40    37 S   CMA  _C7_    39     1.34951   126.27286  -141.05313
   41    40 S   OM   _O37    40     1.26194   129.14337   179.12419
   42    39 S   CT   _C20    73     1.81473   102.78787   -66.70181
   43    42 S   HC   _H17    74     1.09394   108.25005   172.90361
   44    42 S   HC   _H18    75     1.09174   111.95684    54.27966
   45    42 S   HC   _H19    76     1.09255   111.00793   -69.29987
   46    40 S   CT   _C6_    41     1.52472   119.66918    -1.02240
   47    46 S   HC   _H7_    42     1.10088   108.21970   109.57871
   48    46 S   HC   _H8_    43     1.10103   110.18842  -134.55670
   49    46 S   CT   _C5_    44     1.54677   115.65139   -13.08324
   50    49 S   HC   _H3_    45     1.09770   108.37449   -76.26263
   51    33 S   CT   _C10    46     1.57584   111.77002   -86.56873
   52    49 S   CT   _C4_    68     1.53701   108.44531   168.75246
   53    52 S   HC   _H4_    69     1.09474   111.89570   -63.62512
   54    52 S   HC   _H5_    70     1.09425   111.42023   174.98898
   55    52 S   HC   _H6_    71     1.09574   110.37478    56.14021
   56    51 S   CO4  _C11    47     1.53021   114.48477   -63.16511
   57    56 S   O    _O33    48     1.21680   127.95862   -65.72627
   58    56 S   CA   _C12    49     1.44472   108.06965   117.08449
   59    58 S   CA   _C17    50     1.37606   105.64959     1.76901
   60    59 S   CA   _C16    51     1.38366   120.46356   179.33383
   61    60 S   Cl   Cl1_    52     1.72691   119.69419   179.00653
   62    51 S   OS   _O34    67     1.46510   109.87398    52.43996
   63    60 S   CA   _C15    53     1.40577   118.86506    -0.29342
   64    63 S   CA   _C14    54     1.41322   119.58217     0.17017
   65    64 S   HA   _H10    55     1.08480   119.54297   179.29835
   66    63 S   OS   _O35    62     1.37300   116.04020   179.67494
   67    58 S   CA   _C13    56     1.38506   131.32241  -179.46734
   68    66 S   CT   _C18    63     1.42174   117.61983   176.60737
   69    68 S   HC   _H11    64     1.09423   107.73761  -177.49923
   70    68 S   HC   _H12    65     1.09345   110.97236    64.93814
   71    68 S   HC   _H13    66     1.09491   111.27364   -59.69750
   72    67 S   OS   _O36    57     1.36390   117.04655     1.01722
   73    72 S   CT   _C19    58     1.42220   117.21682  -177.62134
   74    73 S   HC   _H14    59     1.09426   107.74484   178.46928
   75    73 S   HC   _H15    60     1.09505   111.17520    60.70629
   76    73 S   HC   _H16    61     1.09405   111.16673   -63.79689
  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
  19   2   1   1  12   5   9   8   4   4   2   1   1  11   5   4
  11   7  11   5   2   1   1   8   4  10   8   8   4   2   9   6
   3   5   5   3   2   1   1   4   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    51    56    62    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    49    50    51    56    57    58    59    62    52    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    49    51    56    62    39    42  
   40    41    46    51    39  
   42    43    44    45    40    49    51    56    62  
   41    46    47    48    49    50    51    52  
   46    47    48    49  
   43    44    45    51  
   44    45  
   45  
    0  
   47    48    49    50    51    56    62    52    53    54    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    56    57    58    59    62    52    53    54    55  
   51    56    62    52    53    54    55  
   56    57    58    59    60    67    62    52    53    54    55  
   53    54    55    56    62  
   54    55  
   55  
    0  
   57    58    59    60    64    67    72    62  
   58    59    67    62  
   59    60    61    63    64    65    67    72    73    62  
   60    61    63    64    67    72    66    62  
   61    63    64    65    67    66    68    62  
   63    64    66    62  
   63    67  
   64    65    67    72    66    68    69    70    71  
   65    67    72    73    66    68  
   67    72    66  
   68    69    70    71    67  
   72    73    74    75    76  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.335000   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   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    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    51   268.000  1.529
   33    39   222.000  1.810
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    56   317.000  1.522
   51    62   320.000  1.410
   56    57   570.000  1.229
   56    58   310.000  1.470
   58    59   469.000  1.400
   58    67   469.000  1.400
   59    60   469.000  1.400
   59    62   450.000  1.364
   60    61   300.000  1.725
   60    63   469.000  1.400
   63    64   469.000  1.400
   63    66   450.000  1.364
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    72   450.000  1.364
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    42   222.000  1.810
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    51    75.00000  111.63000
   29    33    39    75.00000  118.28000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    51    49    58.35000  112.70000
   33    51    56    63.00000  111.10000
   33    51    62    50.00000  109.50000
   33    39    42    62.00000   98.90000
   37    40    41    65.00000  137.10300
   37    40    46    65.00000  122.18000
   40    37    38    40.00000  120.50800
   40    46    47    45.00000  110.52000
   40    46    48    45.00000  110.52000
   40    46    49    70.00000  112.02700
   46    40    41    85.00000  112.85300
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    56    63.00000  111.10000
   49    51    62    50.00000  109.50000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    33    37    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    57    80.00000  120.40000
   51    56    58    65.00000  115.47100
   51    62    59    75.00000  111.00000
   56    58    59    60.00000  119.52600
   56    58    67    60.00000  119.52600
   58    56    57    75.00000  123.78400
   58    59    60    63.00000  120.00000
   58    59    62    70.00000  120.00000
   58    67    64    63.00000  120.00000
   58    67    72    70.00000  120.00000
   59    60    61    75.00000  120.00000
   59    60    63    63.00000  120.00000
   60    63    64    63.00000  120.00000
   60    63    66    70.00000  120.00000
   63    60    61    75.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    67    63.00000  120.00000
   63    66    68    75.00000  111.00000
   64    67    72    70.00000  120.00000
   67    58    59    63.00000  120.00000
   67    64    65    35.00000  120.00000
   67    72    73    75.00000  111.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    63    64    70.00000  120.00000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    51    56    90.00000  108.74100
   62    59    60    70.00000  120.00000
   52    49    50    37.50000  110.70000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    37    75.00000  112.20000
   39    33    51    75.00000  111.63000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    56   0.56750  1.0 1.0
   29    33    51    56  -0.07550 -1.0 2.0
   29    33    51    56   0.20000  1.0 3.0
   29    33    51    62   0.56750  1.0 1.0
   29    33    51    62  -0.07550 -1.0 2.0
   29    33    51    62   0.20000  1.0 3.0
   29    33    39    42   0.08500  1.0 1.0
   29    33    39    42  -0.53150 -1.0 2.0
   29    33    39    42   0.48050  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    51    56    57   0.30150 -1.0 2.0
   33    51    56    58   0.05850 -1.0 2.0
   33    51    56    58   0.17250  1.0 3.0
   33    51    62    59  -0.32850  1.0 1.0
   33    51    62    59  -0.35800 -1.0 2.0
   33    51    62    59   0.33950  1.0 3.0
   33    39    42    43   0.32350  1.0 3.0
   33    39    42    44   0.32350  1.0 3.0
   33    39    42    45   0.32350  1.0 3.0
   37    33    51    49   0.34400  1.0 1.0
   37    33    51    49   0.09450 -1.0 2.0
   37    33    51    49   0.11100  1.0 3.0
   37    33    51    56  -0.98800  1.0 1.0
   37    33    51    56   0.48800 -1.0 2.0
   37    33    51    56   0.76800  1.0 3.0
   37    33    51    62   0.61850  1.0 1.0
   37    33    51    62  -0.22750 -1.0 2.0
   37    33    51    62   0.15300  1.0 3.0
   37    33    39    42  -0.62250  1.0 1.0
   37    33    39    42  -0.38450 -1.0 2.0
   37    33    39    42   0.81900  1.0 3.0
   37    40    46    47   0.00000  1.0 1.0
   37    40    46    48   0.00000  1.0 1.0
   37    40   -46    49   0.09850  1.0 1.0
   37    40   -46    49   0.15250 -1.0 2.0
   37    40   -46    49  -0.50650  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    49    50   0.15000  1.0 3.0
   40    46    49    51   0.34400  1.0 1.0
   40    46    49    51   0.09450 -1.0 2.0
   40    46    49    51   0.11100  1.0 3.0
   40    46    49    52   0.34400  1.0 1.0
   40    46    49    52   0.09450 -1.0 2.0
   40    46    49    52   0.11100  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.00000  1.0 1.0
   41    40    46    49   0.09700  1.0 1.0
   41    40    46    49   0.15600 -1.0 2.0
   41    40    46    49  -0.50800  1.0 3.0
   46    49   -51    33   0.56750  1.0 1.0
   46    49   -51    33  -0.07550 -1.0 2.0
   46    49   -51    33   0.20000  1.0 3.0
   46    49    51    56  -0.95700  1.0 1.0
   46    49    51    56  -0.18200 -1.0 2.0
   46    49    51    56   0.29450  1.0 3.0
   46    49    51    62   0.62750  1.0 1.0
   46    49    51    62  -0.30950 -1.0 2.0
   46    49    51    62   0.27300  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    51    56    57   0.30150 -1.0 2.0
   49    51    56    58   0.05850 -1.0 2.0
   49    51    56    58   0.17250  1.0 3.0
   49    51    62    59  -0.32850  1.0 1.0
   49    51    62    59  -0.35800 -1.0 2.0
   49    51    62    59   0.33950  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    56  -0.11250  1.0 3.0
   50    49    51    62   0.23400  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40   0.09850  1.0 1.0
   51    33   -37    40   0.15250 -1.0 2.0
   51    33   -37    40  -0.50650  1.0 3.0
   51    33    39    42   0.01700  1.0 1.0
   51    33    39    42  -0.23550 -1.0 2.0
   51    33    39    42   0.21350  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    56   -58    59   2.26350  1.0 1.0
   51    56   -58    59   0.76750 -1.0 2.0
   51    56   -58    59   0.22500  1.0 3.0
   51    56    58    67   2.26350  1.0 1.0
   51    56    58    67   0.76750 -1.0 2.0
   51    56    58    67   0.22500  1.0 3.0
   56    51   -62    59  -0.25600  1.0 1.0
   56    51   -62    59  -0.40050 -1.0 2.0
   56    51   -62    59   0.34700  1.0 3.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58   -59    62   3.62500 -1.0 2.0
   56    58    67    64   3.62500 -1.0 2.0
   56    58    67    72   3.62500 -1.0 2.0
   57    56    58    59   1.05000 -1.0 2.0
   57    56    58    67   1.05000 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59    60    63   3.62500 -1.0 2.0
   58    59   -62    51   1.63200 -1.0 2.0
   58    67    72    73   1.63200 -1.0 2.0
   59    58    67    64   3.62500 -1.0 2.0
   59    58    67    72   3.62500 -1.0 2.0
   59    60   -63    64   3.62500 -1.0 2.0
   59    60    63    66   3.62500 -1.0 2.0
   60    59    62    51   1.63200 -1.0 2.0
   60    63    64    65   3.62500 -1.0 2.0
   60    63    64    67   3.62500 -1.0 2.0
   60    63    66    68   1.63200 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   61    60    63    66   3.62500 -1.0 2.0
   63    64   -67    58   3.62500 -1.0 2.0
   63    64    67    72   3.62500 -1.0 2.0
   63    66    68    69   0.08050  1.0 3.0
   63    66    68    70   0.08050  1.0 3.0
   63    66    68    71   0.08050  1.0 3.0
   64    63    66    68   1.63200 -1.0 2.0
   64    67    72    73   1.63200 -1.0 2.0
   65    64    67    58   3.62500 -1.0 2.0
   65    64    67    72   3.62500 -1.0 2.0
   67    58   -59    60   3.62500 -1.0 2.0
   67    58    59    62   3.62500 -1.0 2.0
   67    72    73    74   0.08050  1.0 3.0
   67    72    73    75   0.08050  1.0 3.0
   67    72    73    76   0.08050  1.0 3.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    67   3.62500 -1.0 2.0
   62    51    56    57   0.30150 -1.0 2.0
   62    51   -56    58   0.65300  1.0 1.0
   62    51   -56    58  -0.03850 -1.0 2.0
   62    51   -56    58   0.33900  1.0 3.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    63   3.62500 -1.0 2.0
   52    49    51    33   0.56750  1.0 1.0
   52    49    51    33  -0.07550 -1.0 2.0
   52    49    51    33   0.20000  1.0 3.0
   52    49    51    56  -0.95700  1.0 1.0
   52    49    51    56  -0.18200 -1.0 2.0
   52    49    51    56   0.29450  1.0 3.0
   52    49    51    62   0.62750  1.0 1.0
   52    49    51    62  -0.30950 -1.0 2.0
   52    49    51    62   0.27300  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.42700  1.0 1.0
   39    33    37    40  -0.70350 -1.0 2.0
   39    33    37    40  -0.43150  1.0 3.0
   39    33    51    49   0.44750  1.0 1.0
   39    33    51    49  -0.17800 -1.0 2.0
   39    33    51    49   0.20200  1.0 3.0
   39    33    51    56   0.56750  1.0 1.0
   39    33    51    56  -0.07550 -1.0 2.0
   39    33    51    56   0.20000  1.0 3.0
   39    33    51    62   0.56750  1.0 1.0
   39    33    51    62  -0.07550 -1.0 2.0
   39    33    51    62   0.20000  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    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   51    58    56    57  10.50000 -1.0 2.0
   59    67    58    56   4.00000 -1.0 2.0
   60    62    59    58   4.00000 -1.0 2.0
   63    61    60    59   4.00000 -1.0 2.0
   64    66    63    60   4.00000 -1.0 2.0
   67    65    64    63   1.10000 -1.0 2.0
   64    72    67    58   4.00000 -1.0 2.0
END
