* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    239     429
    1     0 S   NP   _N1_     1    28.59927    93.98685   -24.19624
    2     1 S   H    _HN1     2     1.02961    84.75017    30.20181
    3     1 S   H    _H1_     3     1.02836    23.90010  -170.85819
    4     1 S   H    _H2_     4     1.02778   108.10424   -77.39266
    5     1 S   CT   _CA1     5     1.50118   128.59599   142.18400
    6     5 S   HC   _HA1     6     1.09576   105.22939    77.56463
    7     5 S   CO3  _C1_     7     1.53779   112.42605   -42.63544
    8     7 S   O2Z  _O11     8     1.26355   115.00112   -43.10534
    9     7 S   O2Z  _O12     9     1.26241   114.91969   136.10749
   10     5 S   CT   _CB1    10     1.53100   107.43634  -164.52675
   11    10 S   HC   HB11    11     1.09824   109.30523   -50.94772
   12    10 S   HC   HB12    12     1.09819   110.41720    65.59371
   13    10 S   CT   _CG1    13     1.53011   112.69113  -172.06964
   14    13 S   HC   HG11    14     1.09598   110.43355   -64.22848
   15    13 S   HC   HG12    15     1.09654   109.98435    54.99406
   16    13 S   C    _CD1    16     1.51816   112.35077   175.32999
   17    16 S   O    _OE1    17     1.22714   123.27739    -2.13891
   18    16 S   N    _N2_    18     1.38645   111.61749   178.08113
   19    18 S   H    _HN2    19     1.01589   118.98991     1.39802
   20    18 S   CT1  _CA2    20     1.46204   123.37766   179.63043
   21    20 S   HC   _HA2    21     1.09733   109.41374    -8.50893
   22    20 S   C    _C2_    22     1.53464   108.31006  -124.10219
   23    22 S   O    _O2_    23     1.23017   122.20596  -145.51372
   24    20 S   CT   _CB2    32     1.53373   111.52610   113.59867
   25    24 S   HC   HB21    33     1.09537   109.88568    55.48707
   26    24 S   HC   HB22    34     1.09522   110.27030   174.41405
   27    22 S   N    _N3_    24     1.38496   113.42092    41.78606
   28    27 S   H    _HN3    25     1.01517   118.94111    -0.59050
   29    24 S   S    _SG2    35     1.82818   111.79510   -65.89834
   30    27 S   CT   _CA3    26     1.45461   123.52948   175.15900
   31    30 S   HC   HA31    27     1.09516   109.35341    22.13566
   32    30 S   HC   HA32    28     1.09498   107.09325   139.16630
   33    29 S   CT   _C13    36     1.81901    99.37481   177.04501
   34    33 S   HC   _H5_    37     1.09227   106.12147    49.03842
   35    30 S   CO3  _C3_    29     1.52920   113.03379  -101.41710
   36    35 S   O2Z  _O31    30     1.26407   115.37351   -44.71831
   37    35 S   O2Z  _O32    31     1.26348   114.99604   136.18061
   38    33 S   CT   _C14    38     1.54538   113.96370   -71.88363
   39    38 S   HC   _H6_    39     1.09502   112.23833    86.73255
   40    38 S   CT   _C15    40     1.55599   105.84980  -150.77762
   41    38 S   OH   _O37    73     1.43229   111.37579   -33.30318
   42    41 S   HO   _H18    74     0.97289   107.46156    48.49157
   43    40 S   CT   _C16    41     1.56106   113.07143   -89.35962
   44    43 S   HC   _H7_    42     1.09505   112.15846   -61.64413
   45    40 S   CT   _C10    51     1.57957   104.08312    34.79960
   46    40 S   OH   _O36    71     1.42896   107.87268   152.86946
   47    46 S   HO   _H17    72     0.97423   107.68558   -36.06040
   48    43 S   CO4  _C17    43     1.51208   111.47357    62.83730
   49    48 S   O    _O34    44     1.21943   126.58750   -95.60775
   50    33 S   C3T  _C11    52     1.51596   115.25557   167.36050
   51    45 S   CT   _C18    57     1.55042   112.73523    85.90185
   52    51 S   HC   _H19    58     1.09406   112.29535   -61.57865
   53    51 S   HC   _H20    59     1.09665   110.77078   179.11111
   54    51 S   HC   _H21    60     1.09541   111.66747    60.00073
   55    48 S   OS   _O35    45     1.37541   108.25259    83.58353
   56    50 S   C3T  _C12    53     1.52504   119.01933   -72.51344
   57    56 S   HC   _H15    54     1.07985   121.23200  -149.14837
   58    56 S   HC   _H16    55     1.08393   118.46176    -0.55426
   59    55 S   CT   _C8_    46     1.44044   107.89455     6.96413
   60    59 S   HC   _H4_    47     1.09495   108.43531   144.48088
   61    50 S   O3T  _O33    56     1.43847   117.51639    -6.43559
   62    59 S   CT   _C9_    48     1.53445   110.12904   -93.96837
   63    62 S   HC   _H13    49     1.09633   107.81504   176.18643
   64    62 S   HC   _H14    50     1.09433   109.12138   -70.28237
   65    43 S   CT   _C7_    61     1.54166   114.80137   171.40714
   66    65 S   HC   _H3_    62     1.10445   106.89668  -178.14185
   67    65 S   CM   _C5_    63     1.51470   122.61134    62.70584
   68    67 S   CM   _C6_    64     1.34308   123.24561    27.35008
   69    68 S   HC   _H11    65     1.08536   121.45529   176.86194
   70    68 S   HC   _H12    66     1.08415   122.03979    -1.81186
   71    67 S   CT   _C4_    67     1.50676   117.00304  -159.71362
   72    71 S   HC   _H8_    68     1.09513   110.18648   -50.91242
   73    71 S   HC   _H9_    69     1.09295   111.24793    69.57746
   74    71 S   HC   _H10    70     1.09559   112.16566  -170.29793
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  16   7  24   5   1  17   9  19   6   1   8
   3  12   9   3   2   1   8   4   2   1   9   6   1   5   2   1
   9   3   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    50    56    61    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    62    45    50    56    57    58    61    51    46    41    42  
   38    39    40    45    50    56    61    41  
   36    37  
   37  
    0  
   39    40    43    44    48    62    45    50    56    61    51    65    46    47    41    42  
   40    43    45    50    46    41    42  
   43    44    48    49    55    59    62    63    64    45    50    56    61    51    52    53    54    65    66    67    46    47    41    42  
   42    43    45    46    50  
    0  
   44    48    49    55    59    60    62    45    50    51    65    66    67    68    71    46    47  
   48    49    55    59    45    65    66    67    46  
   50    56    57    58    61    51    52    53    54    65    46    47    48    55    59    60    62    63    64  
   47    48    50    51    62    65  
    0  
   49    55    59    60    62    65    66    67  
   55    59    65  
   56    57    58    61    51    52    53    54    59    62    63    64  
   52    53    54    56    59    61    62    63    64  
   53    54    62  
   54    62  
   62  
   59    60    62    63    64    65    66    67  
   57    58    61    62  
   58    61  
   61  
   60    62    63    64    65    66    67    68    71  
   62    63    64    65    66    67  
   62  
   63    64    65    66    67  
   64    65  
   65  
   66    67    68    69    70    71    72    73    74  
   67    68    71  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    50   275.000  1.510
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    41   320.000  1.410
   40    43   268.000  1.529
   40    45   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    48   317.000  1.522
   43    65   268.000  1.529
   48    49   570.000  1.229
   48    55   214.000  1.327
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    45   268.000  1.529
   45    50   275.000  1.510
   45    51   268.000  1.529
   50    56   260.000  1.509
   50    61   335.000  1.432
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    61   335.000  1.432
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   65    66   340.000  1.090
   65    67   317.000  1.510
   67    68   549.000  1.340
   67    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   46    47   553.000  0.945
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    41    50.00000  109.50000
   33    50    45    58.35000  112.70000
   33    50    56    60.00000  120.94000
   33    50    61    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    41    42    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    48    63.00000  111.10000
   40    43    65    58.35000  112.70000
   40    45    62    58.35000  112.70000
   40    45    50    70.00000  112.37300
   40    45    51    58.35000  112.70000
   40    46    47    55.00000  108.50000
   43    48    49    80.00000  120.40000
   43    48    55    81.00000  111.40000
   43    65    59    58.35000  112.70000
   43    65    66    37.50000  110.70000
   43    65    67    70.00000  112.02700
   48    43    44    35.00000  109.50000
   48    55    59    83.00000  116.90000
   55    48    49    83.00000  123.40000
   55    59    60    35.00000  109.50000
   55    59    62    50.00000  109.50000
   55    59    65    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    45    58.35000  112.70000
   59    65    66    37.50000  110.70000
   59    65    67    70.00000  112.02700
   62    59    60    37.50000  110.70000
   62    45    50    70.00000  112.37300
   62    45    51    58.35000  112.70000
   64    62    63    33.00000  107.80000
   45    40    43    58.35000  112.70000
   45    62    63    37.50000  110.70000
   45    62    64    37.50000  110.70000
   45    50    56    60.00000  120.94000
   45    50    61    80.00000  116.47100
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   50    33    34    45.00000  109.38400
   50    33    38    70.00000  112.37300
   50    56    57    37.50000  117.20000
   50    56    58    37.50000  117.20000
   50    56    61    15.00000   60.43100
   50    61    56    15.00000   59.14900
   58    56    57    35.00000  114.30000
   61    50    56    15.00000   60.43100
   61    56    57    50.00000  114.27700
   61    56    58    50.00000  114.27700
   51    45    50    70.00000  112.37300
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   65    43    44    37.50000  110.70000
   65    43    48    63.00000  111.10000
   65    59    60    37.50000  110.70000
   65    59    62    58.35000  112.70000
   65    67    68    70.00000  124.00000
   65    67    71    65.00000  117.92700
   67    65    66    35.00000  109.50000
   67    68    69    35.00000  120.00000
   67    68    70    35.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    67    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   46    40    43    50.00000  109.50000
   46    40    45    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    45   0.44750  1.0 1.0
   29    33    50    45  -0.17800 -1.0 2.0
   29    33    50    45   0.20200  1.0 3.0
   29    33    50    56   0.44750  1.0 1.0
   29    33    50    56  -0.17800 -1.0 2.0
   29    33    50    56   0.20200  1.0 3.0
   29    33    50    61   0.56750  1.0 1.0
   29    33    50    61  -0.07550 -1.0 2.0
   29    33    50    61   0.20000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38   -40    45   0.56750  1.0 1.0
   33    38   -40    45  -0.07550 -1.0 2.0
   33    38   -40    45   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    50    56    57   0.15000  1.0 3.0
   33    50    56    58   0.15000  1.0 3.0
   33    50   -56    61   0.02550  1.0 1.0
   33    50   -56    61  -0.02600 -1.0 2.0
   33    50   -56    61   1.20400  1.0 3.0
   33    50   -61    56   0.06250  1.0 1.0
   33    50   -61    56  -0.01100 -1.0 2.0
   33    50   -61    56   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    50    45   0.15000  1.0 3.0
   34    33    50    56   0.15000  1.0 3.0
   34    33    50    61   0.23400  1.0 3.0
   38    33   -50    45   0.56750  1.0 1.0
   38    33   -50    45  -0.07550 -1.0 2.0
   38    33   -50    45   0.20000  1.0 3.0
   38    33    50    56   0.07850  1.0 1.0
   38    33    50    56  -0.03950 -1.0 2.0
   38    33    50    56   0.67350  1.0 3.0
   38    33    50    61   0.02550  1.0 1.0
   38    33    50    61  -0.02600 -1.0 2.0
   38    33    50    61   1.20400  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    48  -0.95700  1.0 1.0
   38    40    43    48  -0.18200 -1.0 2.0
   38    40    43    48   0.29450  1.0 3.0
   38    40    43    65   0.56750  1.0 1.0
   38    40    43    65  -0.07550 -1.0 2.0
   38    40    43    65   0.20000  1.0 3.0
   38    40    45    62   0.56750  1.0 1.0
   38    40    45    62  -0.07550 -1.0 2.0
   38    40    45    62   0.20000  1.0 3.0
   38    40   -45    50   0.47050  1.0 1.0
   38    40   -45    50   0.03900 -1.0 2.0
   38    40   -45    50   0.20100  1.0 3.0
   38    40    45    51   0.56750  1.0 1.0
   38    40    45    51  -0.07550 -1.0 2.0
   38    40    45    51   0.20000  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.11600  1.0 1.0
   40    38    41    42  -0.09450 -1.0 2.0
   40    38    41    42   0.21250  1.0 3.0
   40    43    48    49   0.30150 -1.0 2.0
   40    43    48    55   0.36750  1.0 3.0
   40    43    65    59   0.56750  1.0 1.0
   40    43    65    59  -0.07550 -1.0 2.0
   40    43    65    59   0.20000  1.0 3.0
   40    43    65    66   0.15000  1.0 3.0
   40    43    65    67   0.34400  1.0 1.0
   40    43    65    67   0.09450 -1.0 2.0
   40    43    65    67   0.11100  1.0 3.0
   40    45   -50    33   0.56750  1.0 1.0
   40    45   -50    33  -0.07550 -1.0 2.0
   40    45   -50    33   0.20000  1.0 3.0
   40    45    50    56   0.07850  1.0 1.0
   40    45    50    56  -0.03950 -1.0 2.0
   40    45    50    56   0.67350  1.0 3.0
   40    45    50    61   0.02550  1.0 1.0
   40    45    50    61  -0.02600 -1.0 2.0
   40    45    50    61   1.20400  1.0 3.0
   40    45    51    52   0.15000  1.0 3.0
   40    45    51    53   0.15000  1.0 3.0
   40    45    51    54   0.15000  1.0 3.0
   43    40    45    62   0.56750  1.0 1.0
   43    40    45    62  -0.07550 -1.0 2.0
   43    40    45    62   0.20000  1.0 3.0
   43    40    45    50   0.47050  1.0 1.0
   43    40    45    50   0.03900 -1.0 2.0
   43    40    45    50   0.20100  1.0 3.0
   43    40    45    51   0.56750  1.0 1.0
   43    40    45    51  -0.07550 -1.0 2.0
   43    40    45    51   0.20000  1.0 3.0
   43    40    46    47  -0.11600  1.0 1.0
   43    40    46    47  -0.09450 -1.0 2.0
   43    40    46    47   0.21250  1.0 3.0
   43    48   -55    59   1.63150  1.0 1.0
   43    48   -55    59   2.92000 -1.0 2.0
   43    65    67    68   0.09850  1.0 1.0
   43    65    67    68   0.15250 -1.0 2.0
   43    65    67    68  -0.50650  1.0 3.0
   43    65    67    71   0.46850  1.0 1.0
   43    65    67    71   0.08550 -1.0 2.0
   43    65    67    71   0.09800  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    55   0.00000  1.0 1.0
   44    43    65    59   0.15000  1.0 3.0
   44    43    65    66   0.15000  1.0 3.0
   44    43    65    67   0.15000  1.0 3.0
   48    43   -65    59  -0.95700  1.0 1.0
   48    43   -65    59  -0.18200 -1.0 2.0
   48    43   -65    59   0.29450  1.0 3.0
   48    43    65    66  -0.11250  1.0 3.0
   48    43    65    67  -0.98800  1.0 1.0
   48    43    65    67   0.48800 -1.0 2.0
   48    43    65    67   0.76800  1.0 3.0
   48    55    59    60   0.08050  1.0 3.0
   48    55    59    62  -0.25900  1.0 1.0
   48    55    59    62  -0.47000 -1.0 2.0
   48    55    59    62   0.11750  1.0 3.0
   48    55   -59    65  -0.25900  1.0 1.0
   48    55   -59    65  -0.47000 -1.0 2.0
   48    55   -59    65   0.11750  1.0 3.0
   49    48    55    59   3.00000 -1.0 2.0
   55    59    62    63   0.23400  1.0 3.0
   55    59    62    64   0.23400  1.0 3.0
   55    59    62    45   0.62750  1.0 1.0
   55    59    62    45  -0.30950 -1.0 2.0
   55    59    62    45   0.27300  1.0 3.0
   55    59   -65    43   0.62750  1.0 1.0
   55    59   -65    43  -0.30950 -1.0 2.0
   55    59   -65    43   0.27300  1.0 3.0
   55    59    65    66   0.23400  1.0 3.0
   55    59    65    67   0.61850  1.0 1.0
   55    59    65    67  -0.22750 -1.0 2.0
   55    59    65    67   0.15300  1.0 3.0
   59    62   -45    40   0.56750  1.0 1.0
   59    62   -45    40  -0.07550 -1.0 2.0
   59    62   -45    40   0.20000  1.0 3.0
   59    62    45    50   0.47050  1.0 1.0
   59    62    45    50   0.03900 -1.0 2.0
   59    62    45    50   0.20100  1.0 3.0
   59    62    45    51   0.56750  1.0 1.0
   59    62    45    51  -0.07550 -1.0 2.0
   59    62    45    51   0.20000  1.0 3.0
   59    65    67    68   0.09850  1.0 1.0
   59    65    67    68   0.15250 -1.0 2.0
   59    65    67    68  -0.50650  1.0 3.0
   59    65    67    71   0.46850  1.0 1.0
   59    65    67    71   0.08550 -1.0 2.0
   59    65    67    71   0.09800  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    45   0.15000  1.0 3.0
   60    59    65    43   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   62    59   -65    43   0.56750  1.0 1.0
   62    59   -65    43  -0.07550 -1.0 2.0
   62    59   -65    43   0.20000  1.0 3.0
   62    59    65    66   0.15000  1.0 3.0
   62    59    65    67   0.34400  1.0 1.0
   62    59    65    67   0.09450 -1.0 2.0
   62    59    65    67   0.11100  1.0 3.0
   62    45    50    33   0.56750  1.0 1.0
   62    45    50    33  -0.07550 -1.0 2.0
   62    45    50    33   0.20000  1.0 3.0
   62    45    50    56   0.07850  1.0 1.0
   62    45    50    56  -0.03950 -1.0 2.0
   62    45    50    56   0.67350  1.0 3.0
   62    45    50    61   0.02550  1.0 1.0
   62    45    50    61  -0.02600 -1.0 2.0
   62    45    50    61   1.20400  1.0 3.0
   62    45    51    52   0.15000  1.0 3.0
   62    45    51    53   0.15000  1.0 3.0
   62    45    51    54   0.15000  1.0 3.0
   63    62    45    40   0.15000  1.0 3.0
   63    62    45    50   0.15000  1.0 3.0
   63    62    45    51   0.15000  1.0 3.0
   64    62    45    40   0.15000  1.0 3.0
   64    62    45    50   0.15000  1.0 3.0
   64    62    45    51   0.15000  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    48  -0.95700  1.0 1.0
   45    40    43    48  -0.18200 -1.0 2.0
   45    40    43    48   0.29450  1.0 3.0
   45    40    43    65   0.56750  1.0 1.0
   45    40    43    65  -0.07550 -1.0 2.0
   45    40    43    65   0.20000  1.0 3.0
   45    40    46    47  -0.11600  1.0 1.0
   45    40    46    47  -0.09450 -1.0 2.0
   45    40    46    47   0.21250  1.0 3.0
   45    50    56    57   0.15000  1.0 3.0
   45    50    56    58   0.15000  1.0 3.0
   45    50   -56    61   0.02550  1.0 1.0
   45    50   -56    61  -0.02600 -1.0 2.0
   45    50   -56    61   1.20400  1.0 3.0
   45    50   -61    56   0.06250  1.0 1.0
   45    50   -61    56  -0.01100 -1.0 2.0
   45    50   -61    56   0.28050  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.47050  1.0 1.0
   50    33   -38    40   0.03900 -1.0 2.0
   50    33   -38    40   0.20100  1.0 3.0
   50    33    38    41   0.86500  1.0 1.0
   50    33    38    41  -0.17500 -1.0 2.0
   50    33    38    41   0.20800  1.0 3.0
   50    45    51    52   0.15000  1.0 3.0
   50    45    51    53   0.15000  1.0 3.0
   50    45    51    54   0.15000  1.0 3.0
   57    56   -61    50   0.36800  1.0 3.0
   58    56   -61    50   0.36800  1.0 3.0
   61    50   -56    57   0.23400  1.0 3.0
   61    50   -56    58   0.23400  1.0 3.0
   51    45    50    33   0.56750  1.0 1.0
   51    45    50    33  -0.07550 -1.0 2.0
   51    45    50    33   0.20000  1.0 3.0
   51    45    50    56   0.07850  1.0 1.0
   51    45    50    56  -0.03950 -1.0 2.0
   51    45    50    56   0.67350  1.0 3.0
   51    45    50    61   0.02550  1.0 1.0
   51    45    50    61  -0.02600 -1.0 2.0
   51    45    50    61   1.20400  1.0 3.0
   65    43    48    49   0.30150 -1.0 2.0
   65    43   -48    55   0.36750  1.0 3.0
   65    59    62    63   0.15000  1.0 3.0
   65    59    62    64   0.15000  1.0 3.0
   65    59   -62    45   0.56750  1.0 1.0
   65    59   -62    45  -0.07550 -1.0 2.0
   65    59   -62    45   0.20000  1.0 3.0
   65    67    68    69   7.00000 -1.0 2.0
   65    67    68    70   7.00000 -1.0 2.0
   65    67    71    72   0.34800  1.0 3.0
   65    67    71    73   0.34800  1.0 3.0
   65    67    71    74   0.34800  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    71   0.34800  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   71    67    68    69   7.00000 -1.0 2.0
   71    67    68    70   7.00000 -1.0 2.0
   46    40    43    44   0.23400  1.0 3.0
   46    40    43    48  -0.09450  1.0 1.0
   46    40    43    48  -1.12950 -1.0 2.0
   46    40    43    48   0.54000  1.0 3.0
   46    40    43    65   0.86500  1.0 1.0
   46    40    43    65  -0.17500 -1.0 2.0
   46    40    43    65   0.20800  1.0 3.0
   46    40    45    62   0.86500  1.0 1.0
   46    40    45    62  -0.17500 -1.0 2.0
   46    40    45    62   0.20800  1.0 3.0
   46    40    45    50   0.86500  1.0 1.0
   46    40    45    50  -0.17500 -1.0 2.0
   46    40    45    50   0.20800  1.0 3.0
   46    40    45    51   0.86500  1.0 1.0
   46    40    45    51  -0.17500 -1.0 2.0
   46    40    45    51   0.20800  1.0 3.0
   41    38    40    43   0.86500  1.0 1.0
   41    38    40    43  -0.17500 -1.0 2.0
   41    38    40    43   0.20800  1.0 3.0
   41    38    40    45   0.86500  1.0 1.0
   41    38    40    45  -0.17500 -1.0 2.0
   41    38    40    45   0.20800  1.0 3.0
   41    38    40    46   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    55    48    49  10.50000 -1.0 2.0
   65    71    67    68  15.00000 -1.0 2.0
   69    70    68    67  15.00000 -1.0 2.0
END
