* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    227     418
    1     0 S   NP   _N1_     1    29.18395    93.17868   -25.41781
    2     1 S   H    _HN1     2     1.02950    90.19797    14.54435
    3     1 S   H    _H1_     3     1.02828    17.03972  -157.75771
    4     1 S   H    _H2_     4     1.02786   116.84912   -96.23741
    5     1 S   CT   _CA1     5     1.50107   116.28422   127.53779
    6     5 S   HC   _HA1     6     1.09572   105.20358    76.83901
    7     5 S   CO3  _C1_     7     1.53789   112.45972   -43.41756
    8     7 S   O2Z  _O11     8     1.26372   115.00812   -42.79015
    9     7 S   O2Z  _O12     9     1.26240   114.94642   136.36498
   10     5 S   CT   _CB1    10     1.53079   107.42433  -165.16738
   11    10 S   HC   HB11    11     1.09833   109.38927   -49.70793
   12    10 S   HC   HB12    12     1.09813   110.44222    66.90428
   13    10 S   CT   _CG1    13     1.52988   112.59632  -170.68318
   14    13 S   HC   HG11    14     1.09582   110.62764   -65.30168
   15    13 S   HC   HG12    15     1.09669   109.79417    53.93230
   16    13 S   C    _CD1    16     1.51793   112.22898   174.40122
   17    16 S   O    _OE1    17     1.22731   123.27631     6.55176
   18    16 S   N    _N2_    18     1.38649   111.66087  -173.53249
   19    18 S   H    _HN2    19     1.01568   118.96538     1.82134
   20    18 S   CT1  _CA2    20     1.46227   123.40111   177.84896
   21    20 S   HC   _HA2    21     1.09747   109.38263     3.15703
   22    20 S   C    _C2_    22     1.53557   108.34692  -112.29933
   23    22 S   O    _O2_    23     1.23044   122.40262  -145.86609
   24    20 S   CT   _CB2    32     1.53498   111.71581   125.15777
   25    24 S   HC   HB21    33     1.09490   109.63083    56.83336
   26    24 S   HC   HB22    34     1.09339   109.41133   175.69161
   27    22 S   N    _N3_    24     1.38368   113.62074    41.42134
   28    27 S   H    _HN3    25     1.01580   119.58645    -3.05454
   29    24 S   S    _SG2    35     1.83069   110.96401   -63.51475
   30    27 S   CT   _CA3    26     1.45281   123.20143   177.24203
   31    30 S   HC   HA31    27     1.09549   107.49241   -65.02700
   32    30 S   HC   HA32    28     1.09557   108.00681    51.41439
   33    29 S   CT   _C13    36     1.88547   102.80121  -168.30053
   34    30 S   CO3  _C3_    29     1.52960   114.08306   173.42526
   35    34 S   O2Z  _O31    30     1.26375   116.07009    -0.75459
   36    34 S   O2Z  _O32    31     1.26428   114.41012   179.30564
   37    33 S   CM   _C4_    37     1.52548   106.56333    61.63931
   38    37 S   HC   _H21    38     1.09029   116.61869   -94.42052
   39    33 S   CT   _C9_    52     1.54941   107.75075   -56.56995
   40    39 S   HC   _H26    53     1.09674   111.20704    63.84420
   41    39 S   HC   _H27    54     1.09759   110.46481   -53.81042
   42    37 S   CMA  _C5_    39     1.35554   125.47880    88.43825
   43    42 S   OM   _O16    40     1.26506   126.98800   174.74342
   44    42 S   C3T  _C14    41     1.51606   118.48209    -3.92890
   45    44 S   C3T  _C11    42     1.54200   116.23351    19.23997
   46    45 S   HC   _H29    43     1.08292   118.36845  -144.93892
   47    44 S   CM   _C7_    66     1.50701   116.19006  -120.82276
   48    33 S   CT   _C15    44     1.60175   111.22161  -177.79673
   49    44 S   O3T  _O17    65     1.44381   118.96128    84.34185
   50    47 S   CM   _C6_    67     1.34594   124.53228    55.41951
   51    50 S   HC   _H22    68     1.08469   121.65356   179.07148
   52    50 S   HC   _H23    69     1.08325   121.42239    -1.98594
   53    47 S   CT   _C18    70     1.51113   116.21830  -126.81145
   54    53 S   HC   _H37    71     1.09541   111.96097  -174.69061
   55    53 S   HC   _H38    72     1.09529   110.36231   -54.80054
   56    48 S   CT   _C10    45     1.58779   110.36718   170.39442
   57    56 S   HC   _H28    46     1.09887   108.71087    66.50268
   58    48 S   CT   _C17    61     1.55888   111.67547    49.59657
   59    58 S   HC   _H34    62     1.09455   112.41045   -61.87685
   60    58 S   HC   _H35    63     1.09539   111.32679  -179.05044
   61    58 S   HC   _H36    64     1.09320   112.42083    59.89122
   62    53 S   OH   _O19    73     1.42047   110.00105    65.33301
   63    62 S   HO   _H40    74     0.97152   107.11980  -176.06095
   64    56 S   CT   _C12    47     1.54216   112.65662   -51.62427
   65    64 S   HC   _H30    48     1.09598   110.25243   -68.51591
   66    56 S   CT   _C16    57     1.54352   113.91293  -176.28480
   67    66 S   HC   _H31    58     1.09501   111.65831    75.29203
   68    66 S   HC   _H32    59     1.09298   112.41326   -46.23863
   69    66 S   HC   _H33    60     1.09575   110.44057  -165.62180
   70    64 S   CT   _C8_    49     1.51981   111.92941    54.02101
   71    70 S   HC   _H24    50     1.09739   109.48285  -177.08691
   72    70 S   HC   _H25    51     1.09746   109.93950    67.95030
   73    64 S   OH   _O18    55     1.42823   109.42724   174.10572
   74    73 S   HO   _H39    56     0.97228   107.60741   179.35715
  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  12   5   4   3
  23   2   1   1  14   5  13   6   5   9   4  14  14   5  10  15
   4   6   2   1   4   3   2  16   9   5   2   1   1   1   1  10
   6   5   2   1   1   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    48    56    70    39    40    41    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    48    56    57    64    70    71    72    39    40    41    66    58    59    60    61    49  
   35    36  
   36  
    0  
   38    42    43    44    45    48    56    70    39    40    41    58    49    47  
   42    43    44    48    39  
   40    41    73    58    42    45    48    56    64    65    70    71    72  
   41    48    64    70    71    72  
   48    64    70    71    72  
   43    44    45    46    48    49    47    50    53  
   44    45    49    47  
   45    46    48    56    58    49    47    50    51    52    53    54    55    62  
   46    48    56    57    64    66    58    59    60    61    49    47    50    53  
   48    56    58    49    47  
   50    51    52    53    54    55    62    63    48    49  
   56    57    64    65    70    73    66    67    68    69    58    59    60    61    49  
   50    53    56    58  
   51    52    53    54    55    62  
   52    53  
   53  
   54    55    62    63  
   55    62    63  
   62    63  
   57    64    65    70    71    72    73    74    66    67    68    69    58    59    60    61  
   64    65    70    73    66    67    68    69    58  
   59    60    61    64    66  
   60    61  
   61  
    0  
   63  
    0  
   65    70    71    72    73    74    66    67    68    69  
   70    71    72    73    74    66  
   67    68    69    70    73  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73  
   73  
   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   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.205000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   305.000  1.480
   44    45   260.000  1.509
   44    49   335.000  1.432
   44    47   305.000  1.480
   45    46   340.000  1.088
   45    48   275.000  1.510
   45    49   335.000  1.432
   48    56   268.000  1.529
   48    58   268.000  1.529
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   73    74   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    50   549.000  1.340
   47    53   317.000  1.510
   50    51   340.000  1.080
   50    52   340.000  1.080
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   320.000  1.410
   62    63   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    45    70.00000  112.37300
   33    48    56    58.35000  112.70000
   33    48    58    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    60.00000  120.58800
   42    44    49    85.00000  114.23300
   42    44    47    70.00000  110.12100
   44    42    43    85.00000  112.85300
   44    45    46    37.50000  117.20000
   44    45    48    60.00000  120.94000
   44    45    49    15.00000   60.43100
   44    49    45    15.00000   59.14900
   44    47    50    55.00000  125.06700
   44    47    53    65.00000  117.92700
   45    48    56    70.00000  112.37300
   45    48    58    70.00000  112.37300
   48    33    37    70.00000  112.02700
   48    45    46    40.00000  115.04500
   48    56    57    37.50000  110.70000
   48    56    64    58.35000  112.70000
   48    56    66    58.35000  112.70000
   48    58    59    37.50000  110.70000
   48    58    60    37.50000  110.70000
   48    58    61    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    70    58.35000  112.70000
   56    64    73    50.00000  109.50000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    69    37.50000  110.70000
   64    56    57    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    39    58.35000  112.70000
   64    73    74    55.00000  108.50000
   70    64    65    37.50000  110.70000
   70    39    40    37.50000  110.70000
   70    39    41    37.50000  110.70000
   72    70    71    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    70    71    37.50000  110.70000
   39    70    72    37.50000  110.70000
   41    39    40    33.00000  107.80000
   73    64    65    35.00000  109.50000
   73    64    70    50.00000  109.50000
   66    56    57    37.50000  110.70000
   66    56    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   58    48    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   49    44    45    15.00000   60.43100
   49    45    46    50.00000  114.27700
   49    45    48    80.00000  116.47100
   47    44    45    60.00000  120.58800
   47    44    49    85.00000  114.23300
   47    50    51    35.00000  120.00000
   47    50    52    35.00000  120.00000
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    62    90.00000  110.39200
   52    50    51    35.00000  117.00000
   53    47    50    70.00000  124.00000
   53    62    63    55.00000  108.50000
   55    53    54    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    55    35.00000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    45   0.44750  1.0 1.0
   29    33    48    45  -0.17800 -1.0 2.0
   29    33    48    45   0.20200  1.0 3.0
   29    33    48    56   0.44750  1.0 1.0
   29    33    48    56  -0.17800 -1.0 2.0
   29    33    48    56   0.20200  1.0 3.0
   29    33    48    58   0.44750  1.0 1.0
   29    33    48    58  -0.17800 -1.0 2.0
   29    33    48    58   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    48    56    57   0.15000  1.0 3.0
   33    48    56    64   0.56750  1.0 1.0
   33    48    56    64  -0.07550 -1.0 2.0
   33    48    56    64   0.20000  1.0 3.0
   33    48    56    66   0.56750  1.0 1.0
   33    48    56    66  -0.07550 -1.0 2.0
   33    48    56    66   0.20000  1.0 3.0
   33    48    58    59   0.15000  1.0 3.0
   33    48    58    60   0.15000  1.0 3.0
   33    48    58    61   0.15000  1.0 3.0
   37    33    48    45   0.34400  1.0 1.0
   37    33    48    45   0.09450 -1.0 2.0
   37    33    48    45   0.11100  1.0 3.0
   37    33    48    56   0.34400  1.0 1.0
   37    33    48    56   0.09450 -1.0 2.0
   37    33    48    56   0.11100  1.0 3.0
   37    33    48    58   0.34400  1.0 1.0
   37    33    48    58   0.09450 -1.0 2.0
   37    33    48    58   0.11100  1.0 3.0
   37    33    39    70   0.34400  1.0 1.0
   37    33    39    70   0.09450 -1.0 2.0
   37    33    39    70   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42   -44    45   0.09850  1.0 1.0
   37    42   -44    45   0.15250 -1.0 2.0
   37    42   -44    45  -0.50650  1.0 3.0
   37    42    44    49   0.39000  1.0 1.0
   37    42    44    49  -0.05800 -1.0 2.0
   37    42    44    49  -0.55150  1.0 3.0
   37    42    44    47  -0.28300  1.0 1.0
   37    42    44    47   0.26700 -1.0 2.0
   37    42    44    47  -0.63300  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    45    46   0.15000  1.0 3.0
   42    44    45    48   0.34400  1.0 1.0
   42    44    45    48   0.09450 -1.0 2.0
   42    44    45    48   0.11100  1.0 3.0
   42    44   -45    49   0.61850  1.0 1.0
   42    44   -45    49  -0.22750 -1.0 2.0
   42    44   -45    49   0.15300  1.0 3.0
   42    44   -49    45  -0.77900  1.0 1.0
   42    44   -49    45  -0.36900 -1.0 2.0
   42    44   -49    45   0.40400  1.0 3.0
   42    44    47    50  -0.28300  1.0 1.0
   42    44    47    50   0.26700 -1.0 2.0
   42    44    47    50  -0.63300  1.0 3.0
   42    44    47    53   0.09700  1.0 1.0
   42    44    47    53   0.15600 -1.0 2.0
   42    44    47    53  -0.50800  1.0 3.0
   43    42    44    45   0.09700  1.0 1.0
   43    42    44    45   0.15600 -1.0 2.0
   43    42    44    45  -0.50800  1.0 3.0
   43    42    44    49   0.09700  1.0 1.0
   43    42    44    49   0.15600 -1.0 2.0
   43    42    44    49  -0.50800  1.0 3.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    45   -48    33   0.07850  1.0 1.0
   44    45   -48    33  -0.03950 -1.0 2.0
   44    45   -48    33   0.67350  1.0 3.0
   44    45    48    56   0.07850  1.0 1.0
   44    45    48    56  -0.03950 -1.0 2.0
   44    45    48    56   0.67350  1.0 3.0
   44    45    48    58   0.07850  1.0 1.0
   44    45    48    58  -0.03950 -1.0 2.0
   44    45    48    58   0.67350  1.0 3.0
   44    47    50    51   7.00000 -1.0 2.0
   44    47    50    52   7.00000 -1.0 2.0
   44    47    53    54   0.34800  1.0 3.0
   44    47    53    55   0.34800  1.0 3.0
   44    47    53    62   0.18000  1.0 1.0
   44    47    53    62   0.16450 -1.0 2.0
   44    47    53    62   0.04450  1.0 3.0
   45    44    47    50   0.09850  1.0 1.0
   45    44    47    50   0.15250 -1.0 2.0
   45    44    47    50  -0.50650  1.0 3.0
   45    44    47    53   0.46850  1.0 1.0
   45    44    47    53   0.08550 -1.0 2.0
   45    44    47    53   0.09800  1.0 3.0
   45    48    56    57   0.15000  1.0 3.0
   45    48    56    64   0.47050  1.0 1.0
   45    48    56    64   0.03900 -1.0 2.0
   45    48    56    64   0.20100  1.0 3.0
   45    48    56    66   0.47050  1.0 1.0
   45    48    56    66   0.03900 -1.0 2.0
   45    48    56    66   0.20100  1.0 3.0
   45    48    58    59   0.15000  1.0 3.0
   45    48    58    60   0.15000  1.0 3.0
   45    48    58    61   0.15000  1.0 3.0
   46    45    48    33   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45    48    58   0.15000  1.0 3.0
   46    45   -49    44   0.36800  1.0 3.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42   0.09850  1.0 1.0
   48    33   -37    42   0.15250 -1.0 2.0
   48    33   -37    42  -0.50650  1.0 3.0
   48    33    39    70   0.56750  1.0 1.0
   48    33    39    70  -0.07550 -1.0 2.0
   48    33    39    70   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    45   -49    44   0.06250  1.0 1.0
   48    45   -49    44  -0.01100 -1.0 2.0
   48    45   -49    44   0.28050  1.0 3.0
   48    56    64    65   0.15000  1.0 3.0
   48    56   -64    70   0.56750  1.0 1.0
   48    56   -64    70  -0.07550 -1.0 2.0
   48    56   -64    70   0.20000  1.0 3.0
   48    56    64    73   0.86500  1.0 1.0
   48    56    64    73  -0.17500 -1.0 2.0
   48    56    64    73   0.20800  1.0 3.0
   48    56    66    67   0.15000  1.0 3.0
   48    56    66    68   0.15000  1.0 3.0
   48    56    66    69   0.15000  1.0 3.0
   56    48    58    59   0.15000  1.0 3.0
   56    48    58    60   0.15000  1.0 3.0
   56    48    58    61   0.15000  1.0 3.0
   56    64    70    71   0.15000  1.0 3.0
   56    64    70    72   0.15000  1.0 3.0
   56    64    70    39   0.56750  1.0 1.0
   56    64    70    39  -0.07550 -1.0 2.0
   56    64    70    39   0.20000  1.0 3.0
   56    64    73    74  -0.11600  1.0 1.0
   56    64    73    74  -0.09450 -1.0 2.0
   56    64    73    74   0.21250  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    70   0.15000  1.0 3.0
   57    56    64    73   0.23400  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    69   0.15000  1.0 3.0
   64    56    66    67   0.15000  1.0 3.0
   64    56    66    68   0.15000  1.0 3.0
   64    56    66    69   0.15000  1.0 3.0
   64    70   -39    33   0.56750  1.0 1.0
   64    70   -39    33  -0.07550 -1.0 2.0
   64    70   -39    33   0.20000  1.0 3.0
   64    70    39    40   0.15000  1.0 3.0
   64    70    39    41   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    39   0.15000  1.0 3.0
   65    64    73    74   0.19450  1.0 3.0
   70    64    73    74  -0.11600  1.0 1.0
   70    64    73    74  -0.09450 -1.0 2.0
   70    64    73    74   0.21250  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    41   0.15000  1.0 3.0
   72    70    39    33   0.15000  1.0 3.0
   72    70    39    40   0.15000  1.0 3.0
   72    70    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    45   0.47050  1.0 1.0
   39    33    48    45   0.03900 -1.0 2.0
   39    33    48    45   0.20100  1.0 3.0
   39    33   -48    56   0.56750  1.0 1.0
   39    33   -48    56  -0.07550 -1.0 2.0
   39    33   -48    56   0.20000  1.0 3.0
   39    33    48    58   0.56750  1.0 1.0
   39    33    48    58  -0.07550 -1.0 2.0
   39    33    48    58   0.20000  1.0 3.0
   73    64    70    71   0.23400  1.0 3.0
   73    64    70    72   0.23400  1.0 3.0
   73    64    70    39   0.86500  1.0 1.0
   73    64    70    39  -0.17500 -1.0 2.0
   73    64    70    39   0.20800  1.0 3.0
   66    56    64    65   0.15000  1.0 3.0
   66    56    64    70   0.56750  1.0 1.0
   66    56    64    70  -0.07550 -1.0 2.0
   66    56    64    70   0.20000  1.0 3.0
   66    56    64    73   0.86500  1.0 1.0
   66    56    64    73  -0.17500 -1.0 2.0
   66    56    64    73   0.20800  1.0 3.0
   58    48    56    57   0.15000  1.0 3.0
   58    48    56    64   0.56750  1.0 1.0
   58    48    56    64  -0.07550 -1.0 2.0
   58    48    56    64   0.20000  1.0 3.0
   58    48    56    66   0.56750  1.0 1.0
   58    48    56    66  -0.07550 -1.0 2.0
   58    48    56    66   0.20000  1.0 3.0
   49    44   -45    46   0.23400  1.0 3.0
   49    44   -45    48   0.02550  1.0 1.0
   49    44   -45    48  -0.02600 -1.0 2.0
   49    44   -45    48   1.20400  1.0 3.0
   49    44    47    50   0.39000  1.0 1.0
   49    44    47    50  -0.05800 -1.0 2.0
   49    44    47    50  -0.55150  1.0 3.0
   49    44    47    53   0.09700  1.0 1.0
   49    44    47    53   0.15600 -1.0 2.0
   49    44    47    53  -0.50800  1.0 3.0
   49    45    48    33   0.02550  1.0 1.0
   49    45    48    33  -0.02600 -1.0 2.0
   49    45    48    33   1.20400  1.0 3.0
   49    45    48    56   0.02550  1.0 1.0
   49    45    48    56  -0.02600 -1.0 2.0
   49    45    48    56   1.20400  1.0 3.0
   49    45    48    58   0.02550  1.0 1.0
   49    45    48    58  -0.02600 -1.0 2.0
   49    45    48    58   1.20400  1.0 3.0
   47    44    45    46   0.15000  1.0 3.0
   47    44    45    48   0.34400  1.0 1.0
   47    44    45    48   0.09450 -1.0 2.0
   47    44    45    48   0.11100  1.0 3.0
   47    44   -45    49   0.61850  1.0 1.0
   47    44   -45    49  -0.22750 -1.0 2.0
   47    44   -45    49   0.15300  1.0 3.0
   47    44   -49    45  -0.77900  1.0 1.0
   47    44   -49    45  -0.36900 -1.0 2.0
   47    44   -49    45   0.40400  1.0 3.0
   47    53    62    63  -0.07800  1.0 1.0
   47    53    62    63  -0.21500 -1.0 2.0
   47    53    62    63  -0.03150  1.0 3.0
   50    47    53    54   0.00000  1.0 1.0
   50    47    53    55   0.00000  1.0 1.0
   50    47    53    62   0.67800  1.0 1.0
   50    47    53    62   0.47050 -1.0 2.0
   50    47    53    62  -0.62500  1.0 3.0
   53    47    50    51   7.00000 -1.0 2.0
   53    47    50    52   7.00000 -1.0 2.0
   54    53    62    63   0.19450  1.0 3.0
   55    53    62    63   0.19450  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   44    53    47    50  15.00000 -1.0 2.0
   51    52    50    47  15.00000 -1.0 2.0
END
