* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    146    234     437
    1     0 S   NP   _N1_     1    28.64877    95.93786   -22.81765
    2     1 S   H    _HN1     2     1.02950    76.03458    17.41096
    3     1 S   H    _H1_     3     1.02828    36.36039   165.44994
    4     1 S   H    _H2_     4     1.02785   100.82542   -89.02235
    5     1 S   CT   _CA1     5     1.50114   141.15692   122.71827
    6     5 S   HC   _HA1     6     1.09572   105.19766    84.74156
    7     5 S   CO3  _C1_     7     1.53787   112.43439   -35.49966
    8     7 S   O2Z  _O11     8     1.26373   115.00664   -43.05941
    9     7 S   O2Z  _O12     9     1.26236   114.94576   136.04567
   10     5 S   CT   _CB1    10     1.53077   107.41760  -157.27936
   11    10 S   HC   HB11    11     1.09833   109.37891   -49.68279
   12    10 S   HC   HB12    12     1.09813   110.44746    66.92325
   13    10 S   CT   _CG1    13     1.52993   112.60855  -170.65607
   14    13 S   HC   HG11    14     1.09582   110.63291   -65.49426
   15    13 S   HC   HG12    15     1.09669   109.79316    53.74332
   16    13 S   C    _CD1    16     1.51800   112.20081   174.19893
   17    16 S   O    _OE1    17     1.22737   123.27834     6.97164
   18    16 S   N    _N2_    18     1.38648   111.68980  -173.16746
   19    18 S   H    _HN2    19     1.01585   118.98252     1.58115
   20    18 S   CT1  _CA2    20     1.46205   123.36814   177.61214
   21    20 S   HC   _HA2    21     1.09748   109.36434     2.19410
   22    20 S   C    _C2_    22     1.53571   108.55384  -113.22952
   23    22 S   O    _O2_    23     1.23051   122.31860  -147.84682
   24    20 S   CT   _CB2    32     1.53554   111.73251   124.14186
   25    24 S   HC   HB21    33     1.09536   109.38854    56.29982
   26    24 S   HC   HB22    34     1.09025   109.35938   174.83597
   27    22 S   N    _N3_    24     1.38342   113.68525    39.59474
   28    27 S   H    _HN3    25     1.01583   119.58384    -3.33184
   29    24 S   S    _SG2    35     1.82927   110.93930   -63.55676
   30    27 S   CT   _CA3    26     1.45283   123.19893   177.13420
   31    30 S   HC   HA31    27     1.09549   107.50890   -64.69946
   32    30 S   HC   HA32    28     1.09557   107.98559    51.73647
   33    29 S   CT   _C14    36     1.93550   104.46914  -161.63004
   34    30 S   CO3  _C3_    29     1.52957   114.08921   173.74774
   35    34 S   O2Z  _O31    30     1.26377   116.07887    -0.26907
   36    34 S   O2Z  _O32    31     1.26431   114.41300   179.79064
   37    33 S   CT   _C13    37     1.55523   106.48697   -49.84243
   38    37 S   HC   _H5_    38     1.09471   108.37474    50.06693
   39    33 S   CT   _C15    61     1.54916   108.99163    74.58851
   40    39 S   HC   _H6_    62     1.09638   108.14650   177.60944
   41    37 S   CO4  _C12    39     1.52755   110.23794   -66.21213
   42    41 S   O    _O33    40     1.23309   120.60414   139.77256
   43    37 S   CT   _C17    71     1.52943   118.42063   166.98918
   44    43 S   HC   _H18    72     1.08948   113.73144    77.79645
   45    43 S   HC   _H19    73     1.09267   112.29440   -46.81487
   46    43 S   HC   _H20    74     1.09756   109.25945  -165.00584
   47    41 S   CT   _C11    41     1.51684   118.64168   -45.68465
   48    47 S   HC   _H16    42     1.09631   108.21155   164.90808
   49    47 S   HC   _H17    43     1.09445   107.79507   -79.89897
   50    47 S   CT   _C10    44     1.52983   113.86077    43.97599
   51    50 S   HC   _H14    45     1.09598   108.93393    76.31719
   52    50 S   HC   _H15    46     1.09807   108.66775  -169.90015
   53    33 S   CT   _C9_    47     1.60665   107.49402  -170.50291
   54    53 S   CT   _C8_    48     1.57100   110.39081   -61.61963
   55    54 S   HC   _H12    49     1.09786   110.11638  -176.21561
   56    54 S   HC   _H13    50     1.09629   110.53080    68.22688
   57    53 S   CT   _C18    67     1.55942   114.89724   179.89532
   58    57 S   HC   _H21    68     1.09155   113.62159    51.08066
   59    57 S   HC   _H22    69     1.08860   113.40070   -72.16131
   60    57 S   HC   _H23    70     1.09782   110.26505   170.42123
   61    54 S   CT   _C7_    51     1.54391   113.42237   -54.26840
   62    61 S   HC   _H10    52     1.09609   109.30340   173.98989
   63    61 S   HC   _H11    53     1.09584   110.09315   -69.55891
   64    61 S   CT   _C6_    54     1.52017   110.50542    52.76506
   65    64 S   HC   _H4_    55     1.09787   108.13773    67.93277
   66    64 S   CT   _C5_    56     1.51895   118.87842  -169.97057
   67    66 S   HC   _H3_    57     1.09625   111.64781    45.36905
   68    66 S   CO4  _C16    58     1.52149    99.76829   159.66212
   69    68 S   O    _O35    59     1.22092   126.13182   159.46405
   70    66 S   CT   _C4_    63     1.51724   113.27111   -80.36677
   71    70 S   HC   _H7_    64     1.09562   111.59064   -58.76964
   72    70 S   HC   _H8_    65     1.09527   110.52718  -177.92935
   73    70 S   HC   _H9_    66     1.09439   110.99419    62.17699
   74    68 S   OS   _O34    60     1.37961   109.68603   -21.27946
  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  13   5   4   3
  28   2   1   1  18   9  18   7  12   5   5   2   1   1   8   5
   4  11   4   3  12  12   6   5   4   2   1   1   9   4   3  10
   5   8   7   6   2   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    53    54    64    74    39    40    57    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    50    51    52    53    54    55    56    61    64    65    66    68    74    39    40    57    58    59    60    43    44    45    46  
   35    36  
   36  
    0  
   38    41    42    47    48    49    50    53    54    64    74    39    40    57    43    44    45    46  
   41    42    47    53    39    43    44    45    46  
   40    70    57    43    41    50    53    54    61    62    63    64    65    66    67    68    69    74  
   53    61    64    65    66    68    74  
   42    47    48    49    50    51    52    53    43    44    45    46  
   47    48    49    50    43  
   44    45    46    47    53  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    57  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    61    57    58    59    60  
   52    53    54    57  
   53    54    57  
   54    55    56    61    62    63    64    74    57    58    59    60  
   55    56    61    62    63    64    65    66    57    58    59    60  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    74    70  
   63    64    65    66  
   64    65    66  
   65    66    67    68    69    74    70    71    72    73  
   66    67    68    74    70  
   67    68    69    74    70    71    72    73  
   68    69    74    70    71    72    73  
   69    74    70    71    72    73  
   74    70  
   71    72    73    74  
   72    73  
   73  
    0  
    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   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   268.000  1.529
   41    42   570.000  1.229
   41    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    39   268.000  1.529
   66    67   340.000  1.090
   66    68   317.000  1.522
   66    70   268.000  1.529
   68    69   570.000  1.229
   68    74   214.000  1.327
   74    39   320.000  1.410
   39    40   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    58.35000  112.70000
   33    53    50    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    57    58.35000  112.70000
   33    39    64    58.35000  112.70000
   33    39    74    50.00000  109.50000
   33    39    40    37.50000  110.70000
   37    41    42    80.00000  120.40000
   37    41    47    70.00000  116.00000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    63.00000  111.10000
   47    41    42    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    56    37.50000  110.70000
   53    54    61    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    39    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    63.00000  111.10000
   64    66    70    58.35000  112.70000
   64    39    74    50.00000  109.50000
   64    39    40    37.50000  110.70000
   66    64    65    37.50000  110.70000
   66    68    69    80.00000  120.40000
   66    68    74    81.00000  111.40000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   68    66    67    35.00000  109.50000
   68    74    39    83.00000  116.90000
   74    68    69    83.00000  123.40000
   74    39    40    35.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   39    64    65    37.50000  110.70000
   39    64    66    58.35000  112.70000
   70    66    67    37.50000  110.70000
   70    66    68    63.00000  111.10000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    53    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    53    50   0.44750  1.0 1.0
   29    33    53    50  -0.17800 -1.0 2.0
   29    33    53    50   0.20200  1.0 3.0
   29    33    53    54   0.44750  1.0 1.0
   29    33    53    54  -0.17800 -1.0 2.0
   29    33    53    54   0.20200  1.0 3.0
   29    33    53    57   0.44750  1.0 1.0
   29    33    53    57  -0.17800 -1.0 2.0
   29    33    53    57   0.20200  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    74   0.56750  1.0 1.0
   29    33    39    74  -0.07550 -1.0 2.0
   29    33    39    74   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   0.60050  1.0 1.0
   33    37    41    47   0.05600 -1.0 2.0
   33    37    41    47   0.26150  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    53    54    55   0.15000  1.0 3.0
   33    53    54    56   0.15000  1.0 3.0
   33    53    54    61   0.56750  1.0 1.0
   33    53    54    61  -0.07550 -1.0 2.0
   33    53    54    61   0.20000  1.0 3.0
   33    53    57    58   0.15000  1.0 3.0
   33    53    57    59   0.15000  1.0 3.0
   33    53    57    60   0.15000  1.0 3.0
   37    33    53    50   0.56750  1.0 1.0
   37    33    53    50  -0.07550 -1.0 2.0
   37    33    53    50   0.20000  1.0 3.0
   37    33    53    54   0.56750  1.0 1.0
   37    33    53    54  -0.07550 -1.0 2.0
   37    33    53    54   0.20000  1.0 3.0
   37    33    53    57   0.56750  1.0 1.0
   37    33    53    57  -0.07550 -1.0 2.0
   37    33    53    57   0.20000  1.0 3.0
   37    33    39    64   0.56750  1.0 1.0
   37    33    39    64  -0.07550 -1.0 2.0
   37    33    39    64   0.20000  1.0 3.0
   37    33    39    74   0.62750  1.0 1.0
   37    33    39    74  -0.30950 -1.0 2.0
   37    33    39    74   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    49   0.00000  1.0 1.0
   37    41   -47    50   0.60050  1.0 1.0
   37    41   -47    50   0.05600 -1.0 2.0
   37    41   -47    50   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   41    37    43    44  -0.11250  1.0 3.0
   41    37    43    45  -0.11250  1.0 3.0
   41    37    43    46  -0.11250  1.0 3.0
   41    47    50    51  -0.11250  1.0 3.0
   41    47    50    52  -0.11250  1.0 3.0
   41    47    50    53  -0.95700  1.0 1.0
   41    47    50    53  -0.18200 -1.0 2.0
   41    47    50    53   0.29450  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    50   0.30150 -1.0 2.0
   47    50   -53    33   0.56750  1.0 1.0
   47    50   -53    33  -0.07550 -1.0 2.0
   47    50   -53    33   0.20000  1.0 3.0
   47    50    53    54   0.56750  1.0 1.0
   47    50    53    54  -0.07550 -1.0 2.0
   47    50    53    54   0.20000  1.0 3.0
   47    50    53    57   0.56750  1.0 1.0
   47    50    53    57  -0.07550 -1.0 2.0
   47    50    53    57   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    54    55   0.15000  1.0 3.0
   50    53    54    56   0.15000  1.0 3.0
   50    53    54    61   0.56750  1.0 1.0
   50    53    54    61  -0.07550 -1.0 2.0
   50    53    54    61   0.20000  1.0 3.0
   50    53    57    58   0.15000  1.0 3.0
   50    53    57    59   0.15000  1.0 3.0
   50    53    57    60   0.15000  1.0 3.0
   51    50    53    33   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    33   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    57   0.15000  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    41  -0.95700  1.0 1.0
   53    33   -37    41  -0.18200 -1.0 2.0
   53    33   -37    41   0.29450  1.0 3.0
   53    33    37    43   0.56750  1.0 1.0
   53    33    37    43  -0.07550 -1.0 2.0
   53    33    37    43   0.20000  1.0 3.0
   53    33    39    64   0.56750  1.0 1.0
   53    33    39    64  -0.07550 -1.0 2.0
   53    33    39    64   0.20000  1.0 3.0
   53    33    39    74   0.62750  1.0 1.0
   53    33    39    74  -0.30950 -1.0 2.0
   53    33    39    74   0.27300  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54   -61    64   0.56750  1.0 1.0
   53    54   -61    64  -0.07550 -1.0 2.0
   53    54   -61    64   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.56750  1.0 1.0
   54    61    64    66  -0.07550 -1.0 2.0
   54    61    64    66   0.20000  1.0 3.0
   54    61    64    39   0.56750  1.0 1.0
   54    61    64    39  -0.07550 -1.0 2.0
   54    61    64    39   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68  -0.95700  1.0 1.0
   61    64    66    68  -0.18200 -1.0 2.0
   61    64    66    68   0.29450  1.0 3.0
   61    64    66    70   0.56750  1.0 1.0
   61    64    66    70  -0.07550 -1.0 2.0
   61    64    66    70   0.20000  1.0 3.0
   61    64   -39    33   0.56750  1.0 1.0
   61    64   -39    33  -0.07550 -1.0 2.0
   61    64   -39    33   0.20000  1.0 3.0
   61    64    39    74   0.62750  1.0 1.0
   61    64    39    74  -0.30950 -1.0 2.0
   61    64    39    74   0.27300  1.0 3.0
   61    64    39    40   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    39   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    39   0.15000  1.0 3.0
   64    66    68    69   0.30150 -1.0 2.0
   64    66   -68    74   0.36750  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66    70    72   0.15000  1.0 3.0
   64    66    70    73   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68  -0.11250  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    39    33   0.15000  1.0 3.0
   65    64    39    74   0.23400  1.0 3.0
   65    64    39    40   0.15000  1.0 3.0
   66    64    39    33   0.56750  1.0 1.0
   66    64    39    33  -0.07550 -1.0 2.0
   66    64    39    33   0.20000  1.0 3.0
   66    64   -39    74   0.62750  1.0 1.0
   66    64   -39    74  -0.30950 -1.0 2.0
   66    64   -39    74   0.27300  1.0 3.0
   66    64    39    40   0.15000  1.0 3.0
   66    68   -74    39   1.63150  1.0 1.0
   66    68   -74    39   2.92000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    74   0.00000  1.0 1.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   68    66    70    71  -0.11250  1.0 3.0
   68    66    70    72  -0.11250  1.0 3.0
   68    66    70    73  -0.11250  1.0 3.0
   68    74    39    33  -0.25900  1.0 1.0
   68    74    39    33  -0.47000 -1.0 2.0
   68    74    39    33   0.11750  1.0 3.0
   68    74   -39    64  -0.25900  1.0 1.0
   68    74   -39    64  -0.47000 -1.0 2.0
   68    74   -39    64   0.11750  1.0 3.0
   68    74    39    40   0.08050  1.0 3.0
   69    68    74    39   3.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    53    50   0.56750  1.0 1.0
   39    33    53    50  -0.07550 -1.0 2.0
   39    33    53    50   0.20000  1.0 3.0
   39    33   -53    54   0.56750  1.0 1.0
   39    33   -53    54  -0.07550 -1.0 2.0
   39    33   -53    54   0.20000  1.0 3.0
   39    33    53    57   0.56750  1.0 1.0
   39    33    53    57  -0.07550 -1.0 2.0
   39    33    53    57   0.20000  1.0 3.0
   39    64    66    67   0.15000  1.0 3.0
   39    64   -66    68  -0.95700  1.0 1.0
   39    64   -66    68  -0.18200 -1.0 2.0
   39    64   -66    68   0.29450  1.0 3.0
   39    64    66    70   0.56750  1.0 1.0
   39    64    66    70  -0.07550 -1.0 2.0
   39    64    66    70   0.20000  1.0 3.0
   70    66    68    69   0.30150 -1.0 2.0
   70    66    68    74   0.36750  1.0 3.0
   57    53    54    55   0.15000  1.0 3.0
   57    53    54    56   0.15000  1.0 3.0
   57    53    54    61   0.56750  1.0 1.0
   57    53    54    61  -0.07550 -1.0 2.0
   57    53    54    61   0.20000  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    47   0.60050  1.0 1.0
   43    37    41    47   0.05600 -1.0 2.0
   43    37    41    47   0.26150  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
   37    47    41    42  10.50000 -1.0 2.0
   66    74    68    69  10.50000 -1.0 2.0
END
