* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    135    224     407
    1     0 S   NP   _N1_     1    28.88881    92.47822   -23.09895
    2     1 S   H    _HN1     2     1.02804    87.08170  -107.73288
    3     1 S   H    _H1_     3     1.02859   104.67375     0.27766
    4     1 S   H    _H2_     4     1.02970    23.38476    99.99834
    5     1 S   CT   _CA1     5     1.50444   129.96692   135.68539
    6     5 S   HC   _HA1     6     1.09669   104.73680    49.25644
    7     5 S   CO3  _C1_     7     1.54608   110.98893   -67.03330
    8     7 S   O2Z  _O11     8     1.26196   116.92097  -119.21825
    9     7 S   O2Z  _O12     9     1.26527   113.87624    59.54534
   10     5 S   CT   _CB1    10     1.53086   107.14312   165.69239
   11    10 S   HC   HB11    11     1.09816   110.52829   -40.76621
   12    10 S   HC   HB12    12     1.09779   109.62381    75.76289
   13    10 S   CT   _CG1    13     1.53166   112.15137  -161.32546
   14    13 S   HC   HG11    14     1.09582   110.75435   -43.32159
   15    13 S   HC   HG12    15     1.09618   110.00118    75.43333
   16    13 S   C    _CD1    16     1.51709   112.07217  -163.86051
   17    16 S   O    _OE1    17     1.22737   123.21108   -10.96065
   18    16 S   N    _N2_    18     1.38647   111.75848   168.32764
   19    18 S   H    _HN2    19     1.01572   119.26966     6.09001
   20    18 S   CT1  _CA2    20     1.46193   122.96903  -170.90495
   21    20 S   HC   _HA2    21     1.09723   109.32056    -7.73999
   22    20 S   C    _C2_    22     1.53247   109.09332  -123.99333
   23    22 S   O    _O2_    23     1.23028   122.07700  -146.29165
   24    20 S   CT   _CB2    32     1.53701   111.08699   113.42749
   25    24 S   HC   HB21    33     1.09435   109.44988    63.28441
   26    24 S   HC   HB22    34     1.09525   110.19828  -178.14607
   27    22 S   N    _N3_    24     1.38454   113.46637    41.08579
   28    27 S   H    _HN3    25     1.01521   118.94602    -0.41543
   29    24 S   S    _SG2    35     1.82991   111.52454   -57.78615
   30    27 S   CT   _CA3    26     1.45451   123.35904   175.10555
   31    30 S   HC   HA31    27     1.09531   109.11593    26.43503
   32    30 S   HC   HA32    28     1.09492   107.14182   143.42623
   33    29 S   CT   _C6_    36     1.83651   100.42362   177.52741
   34    33 S   HC   _H4_    37     1.09532   106.83189    53.15724
   35    30 S   CO3  _C3_    29     1.52942   113.24429   -96.95578
   36    35 S   O2Z  _O31    30     1.26391   115.46528   -42.78332
   37    35 S   O2Z  _O32    31     1.26366   114.93903   138.16600
   38    33 S   CT   _C5_    38     1.54212   113.18951   -68.61298
   39    38 S   HC   _H7_    39     1.09321   114.05693    22.91106
   40    38 S   HC   _H8_    40     1.09663   109.34347   144.00586
   41    33 S   CT   _C7_    49     1.54914   112.58056   175.60988
   42    38 S   NE   _N5_    41     1.46369   105.74688   -99.23809
   43    41 S   OH   _O36    50     1.41681   115.07417   -35.02884
   44    43 S   HO   _H18    51     0.97221   107.72136   -28.41065
   45    41 S   OH   _O37    52     1.42868   109.65695  -157.69926
   46    45 S   HO   _H19    53     0.97191   107.96902    47.49931
   47    42 S   CDX  _C4_    42     1.38118   123.62177  -175.45438
   48    47 S   NE   _N6_    43     1.38087   113.57311   155.53938
   49    47 S   NI   _N4_    73     1.30370   122.87881   -22.52982
   50    49 S   H    _H3_    74     1.02644   107.48231   178.47223
   51    48 S   CT   _C10    44     1.45767   124.26171   -22.43783
   52    51 S   HC   _H6_    45     1.09785   108.56546   168.52359
   53    48 S   OH   _O33    71     1.38718   115.97605  -177.64108
   54    53 S   HO   _H9_    72     0.97321   101.97296   -99.15070
   55    51 S   CT   _C9_    46     1.53544   108.63113    49.91280
   56    55 S   HC   _H5_    47     1.09568   111.06142  -163.86293
   57    51 S   CT   _C11    62     1.53639   110.24432   -72.69196
   58    57 S   HC   _H10    63     1.09622   109.96306   169.96710
   59    57 S   HC   _H11    64     1.09583   111.68480    48.49076
   60    42 S   CT   _C8_    48     1.46099   111.66815     0.49019
   61    57 S   OS   _O34    65     1.44015   108.84874   -71.99912
   62    60 S   NG   _N9_    54     1.48019   109.16651    95.48015
   63    62 S   H    _H15    55     1.01645   127.09397   -59.81113
   64    61 S   CO4  _C12    66     1.36145   115.69324   177.29318
   65    64 S   O    _O35    67     1.22515   125.48573     0.72389
   66    62 S   CG   _C13    56     1.37915   109.44733   119.04286
   67    64 S   N    _N7_    68     1.36845   110.25292  -179.33559
   68    67 S   H    _H12    69     1.01328   121.01508   179.97202
   69    67 S   H    _H13    70     1.01327   121.06903     0.24066
   70    55 S   NG   _N8_    57     1.48670   109.57950    80.71638
   71    70 S   H    _H14    58     1.01587   127.44464    54.15600
   72    66 S   NG   _N10    59     1.36150   123.54261  -177.98307
   73    72 S   H    _H16    60     1.01499   121.74621   179.91377
   74    72 S   H    _H17    61     1.02169   120.52042     2.20611
  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
  14   8   2   1   1  12   5   4  14  15   6   2   4   1  11  14
   4   1  15   9   3   1  12   6   8   3   2   6   5   7   3   4
   3   5   2   1   1   4   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    60    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    55    60    41    43    44    45    46    62  
   38    39    40    42    60    41    43    45  
   36    37  
   37  
    0  
   39    40    42    47    48    55    60    41    43    45    62    49  
   40    42    47    60    41  
   42    47    60    41  
   43    44    45    46    62    63    66    70    42    47    51    55    56    60  
   47    48    51    55    56    60    43    45    62    63    66    70    53    49    50  
   44    45    46    62    55    60  
   45    60  
   46    62    55    60  
   60  
   48    51    52    55    60    62    57    53    54    49    50  
   51    52    55    56    60    70    57    58    59    61    53    54    49    50  
   50    51    53    60  
    0  
   52    55    56    60    62    66    70    71    57    58    59    61    64    53    54  
   55    56    60    70    57    58    59    61    53  
   54    55    57  
    0  
   56    60    62    63    66    70    71    72    57    58    59    61  
   60    62    66    70    71    57  
   58    59    61    64    65    67    60    70  
   59    61    64  
   61    64  
   62    63    66    70    71    72  
   64    65    67    68    69  
   63    66    70    71    72    73    74  
   66    70    72  
   65    67    68    69  
   67    68    69  
   70    71    72    73    74  
   68    69  
   69  
    0  
   71    72    73    74  
   72  
   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   0.177500   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   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.2500   0.1700  -0.316500   2.1120   1.8750   0.051222218  -2.220205820
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.094000   2.1120   1.8750   0.051222218  -2.220205820
   49   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   50   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.159000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.550700   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.450700   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.273000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.385500   1.9750   1.7500   0.005000000  -0.741685710
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.2500   0.1700  -0.528167   2.1950   1.9500   0.003973653   1.685851020
   63   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   66   2.2500   0.0500   0.693900   2.1120   1.8750   0.001000000  -0.126889456
   67   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   71   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   72   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.460000   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   382.000  1.448
   42    47   445.000  1.380
   42    60   382.000  1.448
   47    48   445.000  1.380
   47    49   650.000  1.285
   48    51   382.000  1.448
   48    53   315.000  1.396
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    70   337.000  1.463
   60    41   268.000  1.529
   60    62   337.000  1.463
   41    43   320.000  1.410
   41    45   320.000  1.410
   43    44   553.000  0.945
   45    46   553.000  0.945
   62    63   434.000  1.010
   62    66   481.000  1.340
   66    70   481.000  1.340
   66    72   481.000  1.340
   70    71   434.000  1.010
   72    73   434.000  1.010
   72    74   434.000  1.010
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   320.000  1.410
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    67   435.000  1.380
   67    68   434.000  1.010
   67    69   434.000  1.010
   53    54   553.000  0.945
   49    50   434.000  1.010
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    80.00000  111.61500
   33    41    60    58.35000  112.70000
   33    41    43    50.00000  109.50000
   33    41    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    50.00000  119.50000
   38    42    60    50.00000  115.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    47    48    85.00000  116.27000
   42    47    49    75.00000  124.36500
   42    60    55    80.00000  111.61500
   42    60    41    80.00000  111.61500
   42    60    62    85.00000  113.60000
   47    48    51    50.00000  119.50000
   47    48    53    90.00000  119.64000
   47    49    50    55.00000  110.29700
   48    51    52    35.00000  109.50000
   48    51    55    80.00000  111.61500
   48    51    57    80.00000  111.61500
   48    53    54    75.00000  105.39500
   51    55    56    37.50000  110.70000
   51    55    60    58.35000  112.70000
   51    55    70    80.00000  111.20000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    50.00000  109.50000
   55    51    52    37.50000  110.70000
   55    60    41    58.35000  112.70000
   55    60    62    80.00000  111.20000
   55    70    66    50.00000  123.20000
   55    70    71    35.00000  118.40000
   60    42    47    50.00000  119.50000
   60    55    56    37.50000  110.70000
   60    41    43    50.00000  109.50000
   60    41    45    50.00000  109.50000
   60    62    63    35.00000  118.40000
   60    62    66    50.00000  123.20000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    43    44    55.00000  108.50000
   41    45    46    55.00000  108.50000
   45    41    43   115.00000  113.08500
   62    60    41    80.00000  111.20000
   62    66    70    70.00000  120.00000
   62    66    72    70.00000  120.00000
   66    62    63    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    74    35.00000  120.00000
   70    55    56    35.00000  109.50000
   70    55    60    80.00000  111.20000
   72    66    70    70.00000  120.00000
   74    72    73    35.00000  120.00000
   57    51    52    37.50000  110.70000
   57    51    55    58.35000  112.70000
   57    61    64    83.00000  116.90000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    64    65    83.00000  123.40000
   61    64    67   110.00000  108.75700
   64    67    68    50.00000  116.34900
   64    67    69    50.00000  116.34900
   67    64    65    85.00000  125.96000
   69    67    68    35.00000  120.00000
   53    48    51   100.00000  106.16000
   49    47    48    75.00000  124.36500
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    60   0.44750  1.0 1.0
   29    33    41    60  -0.17800 -1.0 2.0
   29    33    41    60   0.20200  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    42    47   0.38950  1.0 1.0
   33    38    42    47  -0.47050 -1.0 2.0
   33    38    42    47   0.83150  1.0 3.0
   33    38   -42    60   0.00000  1.0 1.0
   33    41    43    44  -0.11600  1.0 1.0
   33    41    43    44  -0.09450 -1.0 2.0
   33    41    43    44   0.21250  1.0 3.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  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    42   0.22950  1.0 3.0
   34    33    41    60   0.15000  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33   -41    60   0.56750  1.0 1.0
   38    33   -41    60  -0.07550 -1.0 2.0
   38    33   -41    60   0.20000  1.0 3.0
   38    33    41    43   0.86500  1.0 1.0
   38    33    41    43  -0.17500 -1.0 2.0
   38    33    41    43   0.20800  1.0 3.0
   38    33    41    45   0.86500  1.0 1.0
   38    33    41    45  -0.17500 -1.0 2.0
   38    33    41    45   0.20800  1.0 3.0
   38    42    47    48   1.17450  1.0 1.0
   38    42    47    48   0.83550 -1.0 2.0
   38    42    47    49  -0.86000  1.0 1.0
   38    42    47    49   0.84650 -1.0 2.0
   38    42    60    55   0.00000  1.0 1.0
   38    42   -60    41   0.00000  1.0 1.0
   38    42    60    62   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    60   0.00000  1.0 1.0
   40    38    42    47   0.00000  1.0 1.0
   40    38    42    60   0.00000  1.0 1.0
   42    47    48    51   1.17450  1.0 1.0
   42    47    48    51   0.83550 -1.0 2.0
   42    47    48    53   1.00000 -1.0 2.0
   42    47    49    50  -1.91600  1.0 1.0
   42    47    49    50   8.35800 -1.0 2.0
   42    60   -41    33   1.26750  1.0 1.0
   42    60   -41    33  -0.00950 -1.0 2.0
   42    60   -41    33   0.30600  1.0 3.0
   42    60    41    43   4.07950  1.0 1.0
   42    60    41    43  -0.26450 -1.0 2.0
   42    60    41    43  -0.12150  1.0 3.0
   42    60    41    45   4.07950  1.0 1.0
   42    60    41    45  -0.26450 -1.0 2.0
   42    60    41    45  -0.12150  1.0 3.0
   42    60    62    63   0.00000  1.0 1.0
   42    60    62    66  -0.12500  1.0 1.0
   42    60    62    66  -0.12500 -1.0 2.0
   42    60    62    66   0.25000  1.0 3.0
   47    42    60    55   0.38950  1.0 1.0
   47    42    60    55  -0.47050 -1.0 2.0
   47    42    60    55   0.83150  1.0 3.0
   47    42    60    41   0.38950  1.0 1.0
   47    42    60    41  -0.47050 -1.0 2.0
   47    42    60    41   0.83150  1.0 3.0
   47    42    60    62  -0.12500  1.0 1.0
   47    42    60    62  -0.12500 -1.0 2.0
   47    42    60    62   0.25000  1.0 3.0
   47    48    51    52   0.00000  1.0 1.0
   47    48   -51    55   0.38950  1.0 1.0
   47    48   -51    55  -0.47050 -1.0 2.0
   47    48   -51    55   0.83150  1.0 3.0
   47    48    51    57   0.38950  1.0 1.0
   47    48    51    57  -0.47050 -1.0 2.0
   47    48    51    57   0.83150  1.0 3.0
   47    48    53    54  -1.00000 -1.0 2.0
   48    47    49    50  -1.91600  1.0 1.0
   48    47    49    50   8.35800 -1.0 2.0
   48    51    55    56   0.22950  1.0 3.0
   48    51    55    60   1.26750  1.0 1.0
   48    51    55    60  -0.00950 -1.0 2.0
   48    51    55    60   0.30600  1.0 3.0
   48    51    55    70   2.20050  1.0 1.0
   48    51    55    70   0.63450 -1.0 2.0
   48    51    55    70  -0.91300  1.0 3.0
   48    51    57    58   0.22950  1.0 3.0
   48    51    57    59   0.22950  1.0 3.0
   48    51    57    61   2.03850  1.0 1.0
   48    51    57    61  -0.40600 -1.0 2.0
   51    48    53    54  -1.00000 -1.0 2.0
   51    55   -60    42   1.26750  1.0 1.0
   51    55   -60    42  -0.00950 -1.0 2.0
   51    55   -60    42   0.30600  1.0 3.0
   51    55    60    41   0.56750  1.0 1.0
   51    55    60    41  -0.07550 -1.0 2.0
   51    55    60    41   0.20000  1.0 3.0
   51    55    60    62   1.34550  1.0 1.0
   51    55    60    62  -0.31050 -1.0 2.0
   51    55    60    62   0.95500  1.0 3.0
   51    55    70    66   0.25550 -1.0 2.0
   51    55    70    71  -0.09500  1.0 1.0
   51    55    70    71  -0.20850 -1.0 2.0
   51    55    70    71   0.20900  1.0 3.0
   51    57    61    64  -0.25900  1.0 1.0
   51    57    61    64  -0.47000 -1.0 2.0
   51    57    61    64   0.11750  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    55    70  -0.29100  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    61   0.23400  1.0 3.0
   55    51    57    58   0.15000  1.0 3.0
   55    51    57    59   0.15000  1.0 3.0
   55    51    57    61   0.62750  1.0 1.0
   55    51    57    61  -0.30950 -1.0 2.0
   55    51    57    61   0.27300  1.0 3.0
   55    60    41    33   0.56750  1.0 1.0
   55    60    41    33  -0.07550 -1.0 2.0
   55    60    41    33   0.20000  1.0 3.0
   55    60    41    43   0.86500  1.0 1.0
   55    60    41    43  -0.17500 -1.0 2.0
   55    60    41    43   0.20800  1.0 3.0
   55    60    41    45   0.86500  1.0 1.0
   55    60    41    45  -0.17500 -1.0 2.0
   55    60    41    45   0.20800  1.0 3.0
   55    60    62    63  -0.09500  1.0 1.0
   55    60    62    63  -0.20850 -1.0 2.0
   55    60    62    63   0.20900  1.0 3.0
   55    60   -62    66   0.25550 -1.0 2.0
   56    55    60    42   0.22950  1.0 3.0
   56    55    60    41   0.15000  1.0 3.0
   56    55    60    62  -0.29100  1.0 3.0
   56    55    70    66   0.08850  1.0 3.0
   56    55    70    71   0.00000  1.0 1.0
   60    42   -47    48   1.17450  1.0 1.0
   60    42   -47    48   0.83550 -1.0 2.0
   60    42    47    49  -0.86000  1.0 1.0
   60    42    47    49   0.84650 -1.0 2.0
   60    55   -70    66   0.25550 -1.0 2.0
   60    55    70    71  -0.09500  1.0 1.0
   60    55    70    71  -0.20850 -1.0 2.0
   60    55    70    71   0.20900  1.0 3.0
   60    41    43    44  -0.11600  1.0 1.0
   60    41    43    44  -0.09450 -1.0 2.0
   60    41    43    44   0.21250  1.0 3.0
   60    41    45    46  -0.11600  1.0 1.0
   60    41    45    46  -0.09450 -1.0 2.0
   60    41    45    46   0.21250  1.0 3.0
   60    62   -66    70   3.96800 -1.0 2.0
   60    62    66    72   3.96800 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   1.26750  1.0 1.0
   41    33   -38    42  -0.00950 -1.0 2.0
   41    33   -38    42   0.30600  1.0 3.0
   41    60    62    63  -0.09500  1.0 1.0
   41    60    62    63  -0.20850 -1.0 2.0
   41    60    62    63   0.20900  1.0 3.0
   41    60    62    66   0.25550 -1.0 2.0
   43    41    45    46   0.13450  1.0 1.0
   43    41    45    46  -0.58300 -1.0 2.0
   43    41    45    46   0.14300  1.0 3.0
   45    41    43    44   0.13450  1.0 1.0
   45    41    43    44  -0.58300 -1.0 2.0
   45    41    43    44   0.14300  1.0 3.0
   62    60    41    33   1.34550  1.0 1.0
   62    60    41    33  -0.31050 -1.0 2.0
   62    60    41    33   0.95500  1.0 3.0
   62    60    41    43   4.07950  1.0 1.0
   62    60    41    43  -0.26450 -1.0 2.0
   62    60    41    43  -0.12150  1.0 3.0
   62    60    41    45   4.07950  1.0 1.0
   62    60    41    45  -0.26450 -1.0 2.0
   62    60    41    45  -0.12150  1.0 3.0
   62    66   -70    55   3.96800 -1.0 2.0
   62    66    70    71   1.50000 -1.0 2.0
   62    66    72    73   1.50000 -1.0 2.0
   62    66    72    74   1.50000 -1.0 2.0
   63    62    66    70   1.50000 -1.0 2.0
   63    62    66    72   1.50000 -1.0 2.0
   70    55    60    42   2.20050  1.0 1.0
   70    55    60    42   0.63450 -1.0 2.0
   70    55    60    42  -0.91300  1.0 3.0
   70    55    60    41   1.34550  1.0 1.0
   70    55    60    41  -0.31050 -1.0 2.0
   70    55    60    41   0.95500  1.0 3.0
   70    55   -60    62   2.20050  1.0 1.0
   70    55   -60    62   0.63450 -1.0 2.0
   70    55   -60    62  -0.91300  1.0 3.0
   70    66    72    73   1.50000 -1.0 2.0
   70    66    72    74   1.50000 -1.0 2.0
   72    66    70    55   3.96800 -1.0 2.0
   72    66    70    71   1.50000 -1.0 2.0
   57    51    55    56   0.15000  1.0 3.0
   57    51    55    60   0.56750  1.0 1.0
   57    51    55    60  -0.07550 -1.0 2.0
   57    51    55    60   0.20000  1.0 3.0
   57    51    55    70   1.34550  1.0 1.0
   57    51    55    70  -0.31050 -1.0 2.0
   57    51    55    70   0.95500  1.0 3.0
   57    61    64    65   3.00000 -1.0 2.0
   57    61    64    67  -0.80800  1.0 1.0
   57    61    64    67   2.06850 -1.0 2.0
   58    57    61    64   0.08050  1.0 3.0
   59    57    61    64   0.08050  1.0 3.0
   61    64    67    68   2.56700 -1.0 2.0
   61    64    67    69   2.56700 -1.0 2.0
   65    64    67    68   2.45000 -1.0 2.0
   65    64    67    69   2.45000 -1.0 2.0
   53    48    51    52   0.00000  1.0 1.0
   53    48    51    55   0.61050  1.0 1.0
   53    48    51    55  -0.39800 -1.0 2.0
   53    48    51    55   0.77800  1.0 3.0
   53    48    51    57   0.61050  1.0 1.0
   53    48    51    57  -0.39800 -1.0 2.0
   53    48    51    57   0.77800  1.0 3.0
   49    47    48    51  -0.86000  1.0 1.0
   49    47    48    51   0.84650 -1.0 2.0
   49    47    48    53   1.00000 -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
   60    47    42    38   1.00000 -1.0 2.0
   42    48    47    49  10.50000 -1.0 2.0
   53    47    48    51   1.00000 -1.0 2.0
   60    63    62    66   1.00000 -1.0 2.0
   70    72    66    62  10.50000 -1.0 2.0
   71    66    70    55   1.00000 -1.0 2.0
   74    66    72    73   1.00000 -1.0 2.0
   61    67    64    65  10.50000 -1.0 2.0
   69    64    67    68   1.00000 -1.0 2.0
END
