* LIGAND DATABASE FILE (OPLS2005)
*
001      61    64    112    187     330
    1     0 S   NP   _N1_     1    28.81489    96.50666   -24.39594
    2     1 S   H    _HN1     2     1.02792   112.70160   -93.16872
    3     1 S   H    _H1_     3     1.02948    70.34401     9.14701
    4     1 S   H    _H2_     4     1.02828    37.55738   176.71509
    5     1 S   CT   _CA1     5     1.50117   131.85891   109.36680
    6     5 S   HC   _HA1     6     1.09574   105.17566    96.25031
    7     5 S   CO3  _C1_     7     1.53769   112.45652   -23.97059
    8     7 S   O2Z  _O11     8     1.26373   115.01050   -42.98169
    9     7 S   O2Z  _O12     9     1.26236   114.93588   136.07690
   10     5 S   CT   _CB1    10     1.53065   107.41127  -145.78910
   11    10 S   HC   HB11    11     1.09839   109.33042   -49.61314
   12    10 S   HC   HB12    12     1.09811   110.47282    66.97738
   13    10 S   CT   _CG1    13     1.53016   112.63792  -170.56476
   14    13 S   HC   HG11    14     1.09573   110.70128   -66.85017
   15    13 S   HC   HG12    15     1.09670   109.72666    52.39917
   16    13 S   C    _CD1    16     1.51810   112.05696   172.85957
   17    16 S   O    _OE1    17     1.22751   123.21128    10.57615
   18    16 S   N    _N2_    18     1.38654   111.80041  -169.44199
   19    18 S   H    _HN2    19     1.01581   118.97579     1.21515
   20    18 S   CT1  _CA2    20     1.46208   123.35352   176.72870
   21    20 S   HC   _HA2    21     1.09739   109.28612     6.41576
   22    20 S   C    _C2_    22     1.53647   108.84445  -109.07795
   23    22 S   O    _O2_    23     1.23078   122.22273  -148.89183
   24    20 S   CT   _CB2    32     1.53341   111.65006   128.38647
   25    24 S   HC   HB21    33     1.09510   109.98109    56.89885
   26    24 S   HC   HB22    34     1.09518   110.06458   175.89635
   27    22 S   N    _N3_    24     1.38308   113.85043    38.60956
   28    27 S   H    _HN3    25     1.01554   119.61575    -3.25107
   29    24 S   S    _SG2    35     1.82764   111.51082   -64.38332
   30    27 S   CT   _CA3    26     1.45290   123.28305   177.17160
   31    30 S   HC   HA31    27     1.09547   107.50704   -64.88435
   32    30 S   HC   HA32    28     1.09555   108.00285    51.57624
   33    29 S   CT   _C19    36     1.84642    99.64009  -175.99635
   34    33 S   HC   _H3_    37     1.09690   109.07827    38.04910
   35    30 S   CO3  _C3_    29     1.52977   114.03419   173.57465
   36    35 S   O2Z  _O31    30     1.26384   116.06208    -0.62776
   37    35 S   O2Z  _O32    31     1.26422   114.42409   179.43629
   38    33 S   CA   _C13    38     1.51093   110.10608   155.87363
   39    33 S   CM   _C16    60     1.50072   108.20514   -79.66946
   40    39 S   HC   _H26    61     1.09148   114.64742    66.98792
   41    38 S   CA   _C7_    39     1.40536   119.56773   -67.40755
   42    41 S   HA   _H23    40     1.08771   120.28562    -2.13854
   43    41 S   CA   _C6_    41     1.38980   120.74002   176.95400
   44    43 S   HA   _H22    42     1.08714   119.08963  -179.35472
   45    43 S   CA   _C10    43     1.39504   119.88381    -0.00000
   46    45 S   CR3  _C8_    44     1.40928   120.27656     1.08697
   47    45 S   CM   _C14    56     1.46559   119.69139  -179.13589
   48    47 S   HC   _H24    57     1.08520   118.49454     0.07913
   49    38 S   CR3  _C9_    45     1.40798   120.04272   111.62643
   50    49 S   CA   _C12    46     1.41848   121.43357     4.24270
   51    50 S   CA   _C5_    47     1.41222   118.19698  -177.95637
   52    51 S   HA   _H21    48     1.08839   120.90623   179.50032
   53    50 S   CMA  _C17    58     1.51960   122.02515     4.27150
   54    53 S   OM   _O17    59     1.26711   121.16812   173.14837
   55    51 S   CA   _C4_    49     1.39296   121.79222    -1.05443
   56    55 S   HA   _H20    50     1.08655   119.03209  -179.77445
   57    46 S   CA   _C11    51     1.40418   120.40644   179.72732
   58    57 S   CO4  _C18    52     1.48371   119.94387     0.44235
   59    58 S   O    _O18    53     1.22475   122.03352   179.54115
   60    58 S   CM   _C15    54     1.48156   117.42186    -0.54249
   61    60 S   HC   _H25    55     1.08377   117.68162  -179.71607
  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   8   5   4   3
  12   6   2   1   1  13   7   3   8   4   8   3  10  12   7   3
   8   7   7   4   2   1   5   2   4   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    49    53    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    43    46    49    50    53    54    39    40  
   38    41    49    53    39    40  
   36    37  
   37  
    0  
   41    42    43    44    45    46    49    50    51    57    53    39    40  
   40    41    49    50    51    53    54  
   50    53    54  
   42    43    44    45    46    49    50    47  
   43    44    45    49  
   44    45    46    49    57    60    47    48  
   45    46    47  
   46    49    50    55    57    58    60    61    47    48  
   49    50    51    55    56    57    58    59    60    47    48    53  
   48    49    57    58    59    60    61  
   58    60    61  
   50    51    52    55    57    58    53    54  
   51    52    55    56    57    53    54  
   52    55    56    57    58    53    54  
   55    56    57    53  
   54    55  
    0  
   56    57    58    59    60  
   57    58  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   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   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    49   490.000  1.398
   41    42   367.000  1.080
   41    43   469.000  1.400
   43    44   367.000  1.080
   43    45   469.000  1.400
   45    46   490.000  1.398
   45    47   320.000  1.460
   46    49   490.000  1.398
   46    57   490.000  1.398
   49    50   490.000  1.398
   50    51   469.000  1.400
   50    53   320.000  1.460
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   310.000  1.470
   58    59   570.000  1.229
   58    60   320.000  1.462
   60    61   340.000  1.080
   60    47   549.000  1.340
   47    48   340.000  1.080
   53    54   745.000  1.250
   53    39   465.000  1.376
   39    40   340.000  1.080
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    49    80.00000  105.07000
   33    39    53    70.00000  124.00000
   33    39    40    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    43    63.00000  120.00000
   38    49    46    60.00000  130.80000
   38    49    50    60.00000  130.80000
   41    43    44    35.00000  120.00000
   41    43    45    63.00000  120.00000
   43    41    42    35.00000  120.00000
   43    45    46    70.00000  112.88000
   43    45    47    60.00000  120.93500
   45    43    44    35.00000  120.00000
   45    46    49    60.00000  130.80000
   45    46    57    60.00000  130.80000
   45    47    60    60.00000  123.20500
   45    47    48    40.00000  117.26300
   46    49    50    60.00000  130.80000
   46    57    55    70.00000  112.88000
   46    57    58    60.00000  119.52600
   49    38    41    70.00000  112.88000
   49    50    51    70.00000  112.88000
   49    50    53    60.00000  120.93500
   50    51    52    35.00000  120.00000
   50    51    55    63.00000  120.00000
   50    53    54    85.00000  114.86500
   50    53    39    60.00000  123.20500
   51    55    56    35.00000  120.00000
   51    55    57    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    57    58    60.00000  119.52600
   57    46    49    60.00000  130.80000
   57    55    56    35.00000  120.00000
   57    58    59    75.00000  123.78400
   57    58    60    65.00000  117.02400
   58    60    61    40.00000  117.72500
   58    60    47    65.00000  118.96000
   60    58    59    80.00000  123.72100
   60    47    48    35.00000  120.00000
   47    45    46    60.00000  120.93500
   47    60    61    35.00000  120.00000
   53    50    51    60.00000  120.93500
   53    39    40    40.00000  120.50800
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    53    54    65.00000  137.10300
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  -0.23050  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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    49  -0.16000  1.0 1.0
   29    33    38    49  -0.03200 -1.0 2.0
   29    33    38    49   0.04500  1.0 3.0
   29    33    39    53   0.42700  1.0 1.0
   29    33    39    53  -0.70350 -1.0 2.0
   29    33    39    53  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    43   3.62500 -1.0 2.0
   33    38    49    46   3.62500 -1.0 2.0
   33    38    49    50   3.62500 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    49   0.00000  1.0 1.0
   34    33    39    53   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   38    33    39    53   1.44450  1.0 1.0
   38    33    39    53   0.06600 -1.0 2.0
   38    33    39    53   0.29250  1.0 3.0
   38    33    39    40   0.00000  1.0 1.0
   38    41    43    44   3.62500 -1.0 2.0
   38    41    43    45   3.62500 -1.0 2.0
   38    49    50    51   3.62500 -1.0 2.0
   38    49   -50    53   3.62500 -1.0 2.0
   41    38    49    46   3.62500 -1.0 2.0
   41    38    49    50   3.62500 -1.0 2.0
   41    43   -45    46   3.62500 -1.0 2.0
   41    43    45    47   3.62500 -1.0 2.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   43    45    46    49   3.62500 -1.0 2.0
   43    45    46    57   3.62500 -1.0 2.0
   43    45    47    60   0.15800  1.0 1.0
   43    45    47    60   1.85350 -1.0 2.0
   43    45    47    60  -0.48700  1.0 3.0
   43    45    47    48   0.56550  1.0 3.0
   44    43    45    46   3.62500 -1.0 2.0
   44    43    45    47   3.62500 -1.0 2.0
   45    46   -49    38   3.62500 -1.0 2.0
   45    46    49    50   3.62500 -1.0 2.0
   45    46    57    55   3.62500 -1.0 2.0
   45    46    57    58   3.62500 -1.0 2.0
   46    45    47    60   0.15800  1.0 1.0
   46    45    47    60   1.85350 -1.0 2.0
   46    45    47    60  -0.48700  1.0 3.0
   46    45    47    48   0.56550  1.0 3.0
   46    49    50    51   3.62500 -1.0 2.0
   46    49    50    53   3.62500 -1.0 2.0
   46    57    58    59   1.05000 -1.0 2.0
   46    57   -58    60  -0.11500  1.0 1.0
   46    57   -58    60   1.10450 -1.0 2.0
   46    57   -58    60  -0.48050  1.0 3.0
   49    38    41    42   3.62500 -1.0 2.0
   49    38   -41    43   3.62500 -1.0 2.0
   49    46    57    55   3.62500 -1.0 2.0
   49    46    57    58   3.62500 -1.0 2.0
   49    50    51    52   3.62500 -1.0 2.0
   49    50   -51    55   3.62500 -1.0 2.0
   49    50    53    54  -0.01750  1.0 1.0
   49    50    53    54  -0.32000 -1.0 2.0
   49    50    53    54   0.00600  1.0 3.0
   49    50    53    39   0.15800  1.0 1.0
   49    50    53    39   1.85350 -1.0 2.0
   49    50    53    39  -0.48700  1.0 3.0
   50    51    55    56   3.62500 -1.0 2.0
   50    51    55    57   3.62500 -1.0 2.0
   50    53   -39    33   7.00000 -1.0 2.0
   50    53    39    40   7.00000 -1.0 2.0
   51    50    53    54  -0.01750  1.0 1.0
   51    50    53    54  -0.32000 -1.0 2.0
   51    50    53    54   0.00600  1.0 3.0
   51    50    53    39   0.15800  1.0 1.0
   51    50    53    39   1.85350 -1.0 2.0
   51    50    53    39  -0.48700  1.0 3.0
   51    55   -57    46   3.62500 -1.0 2.0
   51    55    57    58   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    57   3.62500 -1.0 2.0
   55    57    58    59   1.05000 -1.0 2.0
   55    57    58    60  -0.11500  1.0 1.0
   55    57    58    60   1.10450 -1.0 2.0
   55    57    58    60  -0.48050  1.0 3.0
   56    55    57    46   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   57    46    49    38   3.62500 -1.0 2.0
   57    46   -49    50   3.62500 -1.0 2.0
   57    58    60    61   1.64500 -1.0 2.0
   57    58    60    47  -1.65800  1.0 1.0
   57    58    60    47   0.77650 -1.0 2.0
   58    60   -47    45   7.00000 -1.0 2.0
   58    60    47    48   7.00000 -1.0 2.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    47   1.00000 -1.0 2.0
   61    60    47    45   7.00000 -1.0 2.0
   61    60    47    48   7.00000 -1.0 2.0
   47    45    46    49   3.62500 -1.0 2.0
   47    45   -46    57   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50    51    55   3.62500 -1.0 2.0
   54    53    39    33   7.00000 -1.0 2.0
   54    53    39    40   7.00000 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33   -38    49   0.18050 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   41    49    38    33   4.00000 -1.0 2.0
   43    42    41    38   1.10000 -1.0 2.0
   45    44    43    41   1.10000 -1.0 2.0
   46    47    45    43   4.00000 -1.0 2.0
   49    57    46    45   4.00000 -1.0 2.0
   46    50    49    38   4.00000 -1.0 2.0
   51    53    50    49   4.00000 -1.0 2.0
   55    52    51    50   1.10000 -1.0 2.0
   57    56    55    51   1.10000 -1.0 2.0
   55    58    57    46   4.00000 -1.0 2.0
   57    60    58    59  10.50000 -1.0 2.0
   58    61    60    47   1.10000 -1.0 2.0
   45    48    47    60   1.10000 -1.0 2.0
   50    54    53    39   1.10000 -1.0 2.0
   33    40    39    53   1.10000 -1.0 2.0
END
