* LIGAND DATABASE FILE (OPLS2005)
*
001      65    68    121    198     348
    1     0 S   NP   _N1_     1    28.78894    95.92589   -23.86487
    2     1 S   H    _HN1     2     1.02948    75.01539     6.69120
    3     1 S   H    _H1_     3     1.02828    33.52017   169.44863
    4     1 S   H    _H2_     4     1.02792   109.78660   -97.80975
    5     1 S   CT   _CA1     5     1.50119   132.70887   110.83790
    6     5 S   HC   _HA1     6     1.09575   105.17400    89.56886
    7     5 S   CO3  _C1_     7     1.53772   112.45463   -30.64755
    8     7 S   O2Z  _O11     8     1.26374   115.00973   -42.91522
    9     7 S   O2Z  _O12     9     1.26238   114.93659   136.12949
   10     5 S   CT   _CB1    10     1.53064   107.40873  -152.46842
   11    10 S   HC   HB11    11     1.09839   109.33387   -49.55590
   12    10 S   HC   HB12    12     1.09812   110.47218    67.03568
   13    10 S   CT   _CG1    13     1.53015   112.63690  -170.50574
   14    13 S   HC   HG11    14     1.09573   110.70153   -66.81775
   15    13 S   HC   HG12    15     1.09670   109.72894    52.43435
   16    13 S   C    _CD1    16     1.51808   112.05180   172.89383
   17    16 S   O    _OE1    17     1.22752   123.20827    10.55169
   18    16 S   N    _N2_    18     1.38658   111.79807  -169.47664
   19    18 S   H    _HN2    19     1.01583   118.99151     1.18729
   20    18 S   CT1  _CA2    20     1.46198   123.33077   176.77876
   21    20 S   HC   _HA2    21     1.09746   109.27363     6.16113
   22    20 S   C    _C2_    22     1.53629   108.86759  -109.30666
   23    22 S   O    _O2_    23     1.23078   122.22614  -148.98492
   24    20 S   CT   _CB2    32     1.53320   111.68359   128.09509
   25    24 S   HC   HB21    33     1.09536   110.15008    56.89818
   26    24 S   HC   HB22    34     1.09522   109.99541   175.98556
   27    22 S   N    _N3_    24     1.38307   113.83866    38.53501
   28    27 S   H    _HN3    25     1.01556   119.61460    -3.29450
   29    24 S   S    _SG2    35     1.82660   111.44889   -64.29416
   30    27 S   CT   _CA3    26     1.45287   123.27747   177.14810
   31    30 S   HC   HA31    27     1.09547   107.51148   -64.76909
   32    30 S   HC   HA32    28     1.09555   107.99835    51.68886
   33    29 S   CT   _C18    36     1.83884    99.54144  -174.05505
   34    33 S   HC   _H5_    37     1.09605   109.03958    41.15670
   35    30 S   CO3  _C3_    29     1.52976   114.03814   173.68214
   36    35 S   O2Z  _O31    30     1.26383   116.06748    -0.66382
   37    35 S   O2Z  _O32    31     1.26424   114.41938   179.40127
   38    33 S   CM   _C17    38     1.51591   108.36270   -77.19891
   39    38 S   HC   _H12    39     1.08828   116.92643    81.65410
   40    38 S   CMA  _C16    40     1.35298   123.76012  -100.27847
   41    40 S   OM   _O37    41     1.25909   130.82184  -179.26992
   42    40 S   CM   _C15    42     1.46756   117.89078     2.53968
   43    42 S   HC   _H11    43     1.08811   119.71585   165.92362
   44    42 S   CM   _C14    44     1.34502   121.44314   -12.99441
   45    44 S   HC   _H10    45     1.08570   119.17153   179.16796
   46    33 S   C3T  _C13    46     1.52809   108.60152   160.31220
   47    46 S   C3T  _C12    47     1.53166   123.48247   -69.51098
   48    47 S   HC   _H4_    48     1.08370   118.44529   157.75057
   49    47 S   CT   _C10    49     1.49229   124.38823     3.21893
   50    49 S   HC   _H3_    50     1.09579   113.16270   -27.55423
   51    46 S   O3T  _O36    65     1.44805   111.50145  -133.49119
   52    49 S   CO4  _C11    51     1.51099   112.75612  -150.65081
   53    52 S   O    _O35    52     1.21566   127.97293    56.34884
   54    49 S   OS   _O34    62     1.45338   109.44913    92.56908
   55    52 S   CA   _C6_    53     1.43781   107.16554  -123.37020
   56    55 S   CA   _C5_    54     1.38050   131.00708  -177.99377
   57    56 S   HA   _H7_    55     1.08383   121.80365     0.35718
   58    56 S   CA   _C4_    56     1.39568   117.03449  -179.64502
   59    58 S   HA   _H6_    57     1.08661   119.36268  -179.93439
   60    58 S   CA   _C9_    58     1.40663   120.05716     0.14537
   61    60 S   CA   _C8_    59     1.39712   121.59088     0.02798
   62    61 S   HA   _H8_    60     1.08446   121.24420   179.82754
   63    60 S   OH   _O33    63     1.36803   120.59713   179.94405
   64    63 S   HO   _H9_    64     0.97237   108.62979     0.12511
   65    55 S   CA   _C7_    61     1.37924   105.75907     2.46371
  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
  13   7   2   1   1   9   4   6   3   6   3   6   3   7   9   5
   9   6   2   8   4   6   8   7   4   7   3   5   4   2   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    48    49    51  
   38    39    40    44    46    47    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    51  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    51  
   44    45    46  
   45    46    47    48    49    51  
   46    47    51  
   47    48    49    50    52    54    51  
   48    49    50    52    53    55    65    54    51  
   49    50    52    54    51  
   50    52    53    55    56    61    65    54    51  
   52    53    55    65    54    51  
   52    54  
   53    55    56    57    58    61    65    54  
   55    56    65    54  
   55    56    60    61    62    65  
   56    57    58    59    60    61    62    65  
   57    58    59    60    61    65    63  
   58    59    60    65  
   59    60    61    62    65    63    64  
   60    61    63  
   61    62    65    63    64  
   62    65    63    64  
   65    63  
   64    65  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.234500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   275.000  1.510
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   305.000  1.480
   46    47   260.000  1.509
   46    51   335.000  1.432
   47    48   340.000  1.088
   47    49   275.000  1.510
   47    51   335.000  1.432
   49    50   340.000  1.090
   49    52   317.000  1.522
   49    54   320.000  1.410
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    56   469.000  1.400
   55    65   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    54   450.000  1.364
   63    64   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    65.00000  117.55000
   33    46    47    60.00000  120.94000
   33    46    51    80.00000  116.47100
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    55.00000  125.06700
   44    42    43    35.00000  120.00000
   44    46    47    60.00000  120.58800
   44    46    51    85.00000  114.23300
   46    33    34    45.00000  109.38400
   46    33    38    70.00000  112.02700
   46    44    45    40.00000  117.24000
   46    47    48    37.50000  117.20000
   46    47    49    60.00000  120.94000
   46    47    51    15.00000   60.43100
   46    51    47    15.00000   59.14900
   47    49    50    45.00000  109.38400
   47    49    52    63.00000  111.10000
   47    49    54    50.00000  109.50000
   49    47    48    40.00000  115.04500
   49    52    53    80.00000  120.40000
   49    52    55    65.00000  115.47100
   49    54    65    75.00000  111.00000
   52    49    50    35.00000  109.50000
   52    55    56    60.00000  119.52600
   52    55    65    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    56    57    35.00000  120.00000
   55    56    58    63.00000  120.00000
   55    65    61    63.00000  120.00000
   55    65    54    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    63.00000  120.00000
   58    60    63    70.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    54    70.00000  120.00000
   65    55    56    63.00000  120.00000
   65    61    62    35.00000  120.00000
   54    49    50    35.00000  109.50000
   54    49    52    90.00000  108.74100
   63    60    61    70.00000  120.00000
   51    46    47    15.00000   60.43100
   51    47    48    50.00000  114.27700
   51    47    49    80.00000  116.47100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.44750  1.0 1.0
   29    33    46    47  -0.17800 -1.0 2.0
   29    33    46    47   0.20200  1.0 3.0
   29    33    46    51   0.56750  1.0 1.0
   29    33    46    51  -0.07550 -1.0 2.0
   29    33    46    51   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    48   0.15000  1.0 3.0
   33    46    47    49   0.56750  1.0 1.0
   33    46    47    49  -0.07550 -1.0 2.0
   33    46    47    49   0.20000  1.0 3.0
   33    46   -47    51   0.02550  1.0 1.0
   33    46   -47    51  -0.02600 -1.0 2.0
   33    46   -47    51   1.20400  1.0 3.0
   33    46   -51    47   0.06250  1.0 1.0
   33    46   -51    47  -0.01100 -1.0 2.0
   33    46   -51    47   0.28050  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    51   0.23400  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.34400  1.0 1.0
   38    33    46    47   0.09450 -1.0 2.0
   38    33    46    47   0.11100  1.0 3.0
   38    33    46    51   0.61850  1.0 1.0
   38    33    46    51  -0.22750 -1.0 2.0
   38    33    46    51   0.15300  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   0.09850  1.0 1.0
   42    44    46    47   0.15250 -1.0 2.0
   42    44    46    47  -0.50650  1.0 3.0
   42    44    46    51   0.39000  1.0 1.0
   42    44    46    51  -0.05800 -1.0 2.0
   42    44    46    51  -0.55150  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.15000  1.0 3.0
   44    46    47    49   0.34400  1.0 1.0
   44    46    47    49   0.09450 -1.0 2.0
   44    46    47    49   0.11100  1.0 3.0
   44    46   -47    51   0.61850  1.0 1.0
   44    46   -47    51  -0.22750 -1.0 2.0
   44    46   -47    51   0.15300  1.0 3.0
   44    46   -51    47  -0.77900  1.0 1.0
   44    46   -51    47  -0.36900 -1.0 2.0
   44    46   -51    47   0.40400  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    51   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    49    50   0.15000  1.0 3.0
   46    47    49    52  -0.95700  1.0 1.0
   46    47    49    52  -0.18200 -1.0 2.0
   46    47    49    52   0.29450  1.0 3.0
   46    47    49    54  -0.26800  1.0 1.0
   46    47    49    54   0.69150 -1.0 2.0
   46    47    49    54  -0.48750  1.0 3.0
   47    49    52    53   0.30150 -1.0 2.0
   47    49    52    55   0.05850 -1.0 2.0
   47    49    52    55   0.17250  1.0 3.0
   47    49    54    65  -0.32850  1.0 1.0
   47    49    54    65  -0.35800 -1.0 2.0
   47    49    54    65   0.33950  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52  -0.11250  1.0 3.0
   48    47    49    54   0.23400  1.0 3.0
   48    47   -51    46   0.36800  1.0 3.0
   49    47   -51    46   0.06250  1.0 1.0
   49    47   -51    46  -0.01100 -1.0 2.0
   49    47   -51    46   0.28050  1.0 3.0
   49    52    55    56   2.26350  1.0 1.0
   49    52    55    56   0.76750 -1.0 2.0
   49    52    55    56   0.22500  1.0 3.0
   49    52   -55    65   2.26350  1.0 1.0
   49    52   -55    65   0.76750 -1.0 2.0
   49    52   -55    65   0.22500  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    55   0.00000  1.0 1.0
   50    49    54    65   0.08050  1.0 3.0
   52    49   -54    65  -0.25600  1.0 1.0
   52    49   -54    65  -0.40050 -1.0 2.0
   52    49   -54    65   0.34700  1.0 3.0
   52    55    56    57   3.62500 -1.0 2.0
   52    55    56    58   3.62500 -1.0 2.0
   52    55    65    61   3.62500 -1.0 2.0
   52    55   -65    54   3.62500 -1.0 2.0
   53    52    55    56   1.05000 -1.0 2.0
   53    52    55    65   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    60   3.62500 -1.0 2.0
   55    65   -54    49   1.63200 -1.0 2.0
   56    55    65    61   3.62500 -1.0 2.0
   56    55    65    54   3.62500 -1.0 2.0
   56    58   -60    61   3.62500 -1.0 2.0
   56    58    60    63   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    65   3.62500 -1.0 2.0
   58    60    63    64   0.84100 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    63   3.62500 -1.0 2.0
   60    61   -65    55   3.62500 -1.0 2.0
   60    61    65    54   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65    54    49   1.63200 -1.0 2.0
   62    61    65    55   3.62500 -1.0 2.0
   62    61    65    54   3.62500 -1.0 2.0
   65    55    56    57   3.62500 -1.0 2.0
   65    55   -56    58   3.62500 -1.0 2.0
   54    49    52    53   0.30150 -1.0 2.0
   54    49   -52    55   0.65300  1.0 1.0
   54    49   -52    55  -0.03850 -1.0 2.0
   54    49   -52    55   0.33900  1.0 3.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   51    46   -47    48   0.23400  1.0 3.0
   51    46   -47    49   0.02550  1.0 1.0
   51    46   -47    49  -0.02600 -1.0 2.0
   51    46   -47    49   1.20400  1.0 3.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52  -0.09450  1.0 1.0
   51    47    49    52  -1.12950 -1.0 2.0
   51    47    49    52   0.54000  1.0 3.0
   51    47    49    54   1.11900  1.0 1.0
   51    47    49    54  -1.16350 -1.0 2.0
   51    47    49    54  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   49    55    52    53  10.50000 -1.0 2.0
   56    65    55    52   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   61    63    60    58   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   61    54    65    55   4.00000 -1.0 2.0
END
