* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    111    163     322
    1     0 S   NP   _N1_     1    28.65727    93.85295   -23.41087
    2     1 S   H    _HN1     2     1.02959    85.79998    21.85097
    3     1 S   H    _H1_     3     1.02835    23.80545   175.24395
    4     1 S   H    _H2_     4     1.02779   105.75917   -86.03132
    5     1 S   CT   _CA1     5     1.50134   130.15249   135.10181
    6     5 S   HC   _HA1     6     1.09577   105.19631    75.29054
    7     5 S   CO3  _C1_     7     1.53773   112.42699   -44.84297
    8     7 S   O2Z  _O11     8     1.26360   114.99580   -42.49892
    9     7 S   O2Z  _O12     9     1.26242   114.92435   136.58945
   10     5 S   CT   _CB1    10     1.53088   107.41082  -166.83117
   11    10 S   HC   HB11    11     1.09827   109.25164   -50.73866
   12    10 S   HC   HB12    12     1.09816   110.44100    65.79199
   13    10 S   CT   _CG1    13     1.53017   112.72131  -171.84168
   14    13 S   HC   HG11    14     1.09593   110.47231   -65.54179
   15    13 S   HC   HG12    15     1.09661   109.93232    53.68387
   16    13 S   C    _CD1    16     1.51834   112.31859   173.97950
   17    16 S   O    _OE1    17     1.22726   123.25002     0.24228
   18    16 S   N    _N2_    18     1.38631   111.65287  -179.38452
   19    18 S   H    _HN2    19     1.01569   119.03813     1.20350
   20    18 S   CT1  _CA2    20     1.46188   123.42830   179.07677
   21    20 S   HC   _HA2    21     1.09746   109.40895     0.09279
   22    20 S   C    _C2_    22     1.53541   108.52855  -115.44996
   23    22 S   O    _O2_    23     1.23043   122.21752  -144.91443
   24    20 S   CT   _CB2    32     1.53434   111.63260   122.05924
   25    24 S   HC   HB21    33     1.09522   109.72482    55.89671
   26    24 S   HC   HB22    34     1.09258   109.52804   174.48591
   27    22 S   N    _N3_    24     1.38498   113.54730    42.44521
   28    27 S   H    _HN3    25     1.01482   118.97856    -0.45628
   29    24 S   S    _SG2    35     1.83016   111.27618   -64.69123
   30    27 S   CT   _CA3    26     1.45450   123.49158   175.10996
   31    30 S   HC   HA31    27     1.09518   109.32579    23.20330
   32    30 S   HC   HA32    28     1.09498   107.11104   140.22588
   33    29 S   CT   _C11    36     1.88694   101.62104  -168.07202
   34    33 S   OM   _O35    37     1.32568   106.82227  -172.38782
   35    30 S   CO3  _C3_    29     1.52916   113.00678  -100.32635
   36    35 S   O2Z  _O31    30     1.26410   115.35831   -45.56825
   37    35 S   O2Z  _O32    31     1.26347   115.01148   135.33052
   38    33 S   CA   _C7_    38     1.55211   108.16811   -56.24310
   39    33 S   CT1  _C12    53     1.58854   109.41570    70.97434
   40    39 S   HC   _H3_    54     1.09549   108.71300   -69.86584
   41    38 S   CA   _C8_    39     1.41525   120.83084   -67.81215
   42    41 S   HA   _H8_    40     1.08873   120.28490    -1.44713
   43    39 S   CO4  _C13    55     1.54383   114.66241    50.74150
   44    43 S   O    _O34    56     1.22597   124.66018    68.69495
   45    39 S   NT   _N4_    62     1.47968   114.33734   172.20157
   46    45 S   H    _H14    63     1.01826   109.70989   162.72464
   47    45 S   H    _H15    64     1.01737   109.90264    45.14191
   48    41 S   CA   _C9_    41     1.39619   121.87469   178.18264
   49    48 S   HA   _H9_    42     1.08601   119.25207   179.79923
   50    43 S   S    _S1_    57     1.77476   114.12122  -113.66034
   51    48 S   CA   _C10    43     1.39046   119.65813    -0.54104
   52    50 S   CT   _C14    58     1.80583    99.79321   157.92740
   53    52 S   HC   _H11    59     1.09319   109.27755  -176.64923
   54    52 S   HC   _H12    60     1.09328   110.59239    63.99413
   55    52 S   HC   _H13    61     1.09344   110.44406   -57.30560
   56    51 S   CA   _C5_    44     1.39645   120.75196    -0.14935
   57    51 S   OH   _O33    51     1.36849   120.11219  -179.74436
   58    57 S   HO   _H10    52     0.97225   108.64120    -0.47519
   59    38 S   CA   _C6_    45     1.41005   122.40996   108.83724
   60    59 S   HA   _H7_    46     1.08579   120.48516     0.93586
   61    56 S   CT   _C4_    47     1.50161   120.98987  -178.94761
   62    61 S   HC   _H4_    48     1.09488   110.34553   -55.89534
   63    61 S   HC   _H5_    49     1.09468   110.12080    64.91231
   64    61 S   HC   _H6_    50     1.09504   111.62060  -175.27399
  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   9   5   4   3
  16   7   2   1   1  13  10   6   8   4   9   3   3   1   1   7
   3   4   9   3   2   1   1   8   3   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    56    59    60    39    40    43    44    50    45    46    47  
   38    41    59    39    40    43    45  
   36    37  
   37  
    0  
   41    42    48    49    51    56    59    60    61    39    40    43    45  
   40    43    44    50    52    45    46    47    41    59  
   43    44    50    45    46    47  
   42    48    49    51    56    59    60    57  
   48    49    51    59  
   44    50    52    53    54    55    45    46    47  
   50    52    45  
   46    47    50  
   47  
    0  
   49    51    56    59    61    57    58  
   51    56    57  
   52    53    54    55  
   56    59    60    61    62    63    64    57    58  
   53    54    55  
   54    55  
   55  
    0  
   59    60    61    62    63    64    57    58  
   58    59    61  
    0  
   60    61    62    63    64  
   61  
   62    63    64  
   63    64  
   64  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    48   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    56   469.000  1.400
   51    57   450.000  1.364
   56    59   469.000  1.400
   56    61   317.000  1.510
   59    60   367.000  1.080
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   57    58   553.000  0.945
   39    40   340.000  1.090
   39    43   255.000  1.522
   39    45   305.000  1.457
   43    44   570.000  1.229
   43    50   210.000  1.799
   50    52   222.000  1.810
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   45    46   434.000  1.010
   45    47   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  108.68000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  110.61500
   33    39    45    80.00000  111.22000
   38    33    34    85.00000  111.85700
   38    41    42    35.00000  120.00000
   38    41    48    63.00000  120.00000
   38    59    56    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    48    49    35.00000  120.00000
   41    48    51    63.00000  120.00000
   48    41    42    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    57    70.00000  120.00000
   51    48    49    35.00000  120.00000
   51    56    59    63.00000  120.00000
   51    56    61    70.00000  120.00000
   51    57    58    35.00000  113.00000
   56    59    60    35.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   59    38    41    63.00000  120.00000
   61    56    59    70.00000  120.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   57    51    56    70.00000  120.00000
   39    33    34    50.00000  109.50000
   39    33    38    63.00000  114.00000
   39    43    44    75.00000  123.42600
   39    43    50    70.00000  114.16300
   39    45    46    50.00000  111.55300
   39    45    47    50.00000  111.55300
   43    39    40    45.00000  110.09800
   43    50    52    90.00000   96.72000
   50    43    44    80.00000  121.30200
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   45    39    40    50.00000  109.55000
   45    39    43    75.00000  112.91400
   47    45    46    43.60000  106.40000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43  -2.17200  1.0 1.0
   29    33    39    43  -0.85700 -1.0 2.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    48   3.62500 -1.0 2.0
   33    38    59    56   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    43    50   0.00000  1.0 1.0
   33    39    45    46  -0.05950  1.0 1.0
   33    39    45    46   0.08850 -1.0 2.0
   33    39    45    46   0.11750  1.0 3.0
   33    39    45    47  -0.05950  1.0 1.0
   33    39    45    47   0.08850 -1.0 2.0
   33    39    45    47   0.11750  1.0 3.0
   34    33    38    41   0.64500  1.0 1.0
   34    33    38    41   0.14800 -1.0 2.0
   34    33    38    41   0.20650  1.0 3.0
   34    33    38    59   0.64500  1.0 1.0
   34    33    38    59   0.14800 -1.0 2.0
   34    33    38    59   0.20650  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43  -0.09450  1.0 1.0
   34    33    39    43  -1.12950 -1.0 2.0
   34    33    39    43   0.54000  1.0 3.0
   34    33    39    45   1.74050  1.0 1.0
   38    33    39    40   0.23100  1.0 3.0
   38    33    39    43  -0.84850  1.0 1.0
   38    33    39    43  -0.22800 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    33    39    45   0.83750  1.0 1.0
   38    33    39    45   0.32200 -1.0 2.0
   38    33    39    45   0.70600  1.0 3.0
   38    41    48    49   3.62500 -1.0 2.0
   38    41    48    51   3.62500 -1.0 2.0
   41    38    59    56   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    48   -51    56   3.62500 -1.0 2.0
   41    48    51    57   3.62500 -1.0 2.0
   42    41    48    49   3.62500 -1.0 2.0
   42    41    48    51   3.62500 -1.0 2.0
   48    51    56    59   3.62500 -1.0 2.0
   48    51    56    61   3.62500 -1.0 2.0
   48    51    57    58   0.84100 -1.0 2.0
   49    48    51    56   3.62500 -1.0 2.0
   49    48    51    57   3.62500 -1.0 2.0
   51    56   -59    38   3.62500 -1.0 2.0
   51    56    59    60   3.62500 -1.0 2.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   51    56    61    64   0.00000  1.0 1.0
   56    51    57    58   0.84100 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    48   3.62500 -1.0 2.0
   59    56    61    62   0.00000  1.0 1.0
   59    56    61    63   0.00000  1.0 1.0
   59    56    61    64   0.00000  1.0 1.0
   61    56    59    38   3.62500 -1.0 2.0
   61    56    59    60   3.62500 -1.0 2.0
   57    51    56    59   3.62500 -1.0 2.0
   57    51    56    61   3.62500 -1.0 2.0
   39    33    38    41   0.00000  1.0 1.0
   39    33    38    59   0.00000  1.0 1.0
   39    43    50    52  -0.11550  1.0 1.0
   39    43    50    52   1.88700 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    50   0.00000  1.0 1.0
   40    39    45    46   0.20000  1.0 3.0
   40    39    45    47   0.20000  1.0 3.0
   43    39    45    46   0.21900  1.0 1.0
   43    39    45    46  -0.24900 -1.0 2.0
   43    39    45    46   0.15200  1.0 3.0
   43    39    45    47   0.21900  1.0 1.0
   43    39    45    47  -0.24900 -1.0 2.0
   43    39    45    47   0.15200  1.0 3.0
   43    50    52    53   0.24000  1.0 3.0
   43    50    52    54   0.24000  1.0 3.0
   43    50    52    55   0.24000  1.0 3.0
   44    43    50    52  -0.11550  1.0 1.0
   44    43    50    52   1.88700 -1.0 2.0
   45    39    43    44   0.30150 -1.0 2.0
   45    39    43    50   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   48    42    41    38   1.10000 -1.0 2.0
   51    49    48    41   1.10000 -1.0 2.0
   56    57    51    48   4.00000 -1.0 2.0
   59    61    56    51   4.00000 -1.0 2.0
   56    60    59    38   1.10000 -1.0 2.0
   39    50    43    44  10.50000 -1.0 2.0
END
