* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58    101    161     299
    1     0 S   NP   _N1_     1    28.80609    94.68856   -23.13118
    2     1 S   H    _HN1     2     1.02782   101.63823   -95.08400
    3     1 S   H    _H1_     3     1.02951    84.00660    12.45509
    4     1 S   H    _H2_     4     1.02828    27.89802   158.59805
    5     1 S   CT   _CA1     5     1.50117   135.42408   125.61149
    6     5 S   HC   _HA1     6     1.09575   105.21062    75.09414
    7     5 S   CO3  _C1_     7     1.53815   112.32330   -45.12878
    8     7 S   O2Z  _O11     8     1.26376   115.00989   -45.08080
    9     7 S   O2Z  _O12     9     1.26233   114.94214   133.92656
   10     5 S   CT   _CB1    10     1.53079   107.40230  -166.97990
   11    10 S   HC   HB11    11     1.09829   109.43685   -49.83716
   12    10 S   HC   HB12    12     1.09814   110.43406    66.78546
   13    10 S   CT   _CG1    13     1.52966   112.56073  -170.82326
   14    13 S   HC   HG11    14     1.09585   110.51824   -63.79709
   15    13 S   HC   HG12    15     1.09661   109.88736    55.40603
   16    13 S   C    _CD1    16     1.51807   112.27994   175.87498
   17    16 S   O    _OE1    17     1.22727   123.32647     2.91933
   18    16 S   N    _N2_    18     1.38604   111.60547  -177.20859
   19    18 S   H    _HN2    19     1.01609   118.89277     1.79013
   20    18 S   CT1  _CA2    20     1.46278   123.52057   179.78511
   21    20 S   HC   _HA2    21     1.09728   109.41404     0.46098
   22    20 S   C    _C2_    22     1.53445   108.72587  -115.24744
   23    22 S   O    _O2_    23     1.23057   122.28317  -148.20671
   24    20 S   CT   _CB2    32     1.53335   111.14150   122.38535
   25    24 S   HC   HB21    33     1.09577   109.41269    56.25351
   26    24 S   HC   HB22    34     1.09444   110.74128   175.24651
   27    22 S   N    _N3_    24     1.38338   113.68308    39.30843
   28    27 S   H    _HN3    25     1.01604   119.55853    -3.62990
   29    24 S   S    _SG2    35     1.82756   111.12811   -64.61315
   30    27 S   CT   _CA3    26     1.45284   123.12475   176.98124
   31    30 S   HC   HA31    27     1.09553   107.53215   -63.64750
   32    30 S   HC   HA32    28     1.09560   107.93780    52.75403
   33    29 S   CT   _C10    36     1.85563    99.62182   162.02660
   34    33 S   HC   _H3_    37     1.09444   108.03783   -21.53976
   35    30 S   CO3  _C3_    29     1.52936   114.15610   174.73355
   36    35 S   O2Z  _O31    30     1.26366   116.08572    -0.75770
   37    35 S   O2Z  _O32    31     1.26436   114.40199   179.29335
   38    33 S   CA   _C7_    38     1.52190   107.89899  -140.50599
   39    38 S   CA   _C6_    39     1.41287   118.91757   -91.88927
   40    39 S   CA   _C5_    40     1.40369   120.12257   175.97071
   41    40 S   HA   _H6_    41     1.08795   120.56949  -179.70926
   42    39 S   CM   _C13    50     1.46933   120.33934    -3.27279
   43    42 S   HC   _H9_    51     1.08470   118.85383   167.21716
   44    40 S   CA   _C4_    42     1.39716   120.67286     0.40056
   45    44 S   HA   _H5_    43     1.08658   119.83768   179.92338
   46    42 S   CM   _C12    52     1.34044   120.36696   -14.95977
   47    46 S   HC   _H8_    53     1.08573   119.43022  -177.08812
   48    44 S   CA   _C9_    44     1.39134   120.19570    -0.24866
   49    48 S   HA   _H7_    45     1.08664   119.69129  -179.73607
   50    33 S   CT   _C11    54     1.54904   112.60721    96.48232
   51    50 S   HC   _H4_    55     1.09831   108.53558  -163.86393
   52    38 S   CA   _C8_    46     1.40545   123.42908    84.05216
   53    50 S   OH   _O35    56     1.42390   110.99358   -47.33334
   54    53 S   HO   _H10    57     0.97235   107.87633  -177.78955
   55    52 S   NO2  _N4_    47     1.44302   120.47971     3.47435
   56    55 S   ON   _O34    48     1.23721   117.03805  -100.35459
   57    55 S   ON   _O33    49     1.23739   116.83769    79.94645
  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
  14   7   2   1   1  16  12   9   4   8   3   5   3   5   3   5
   2   4   2   3   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    52    46    50    51    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    48    52    55    42    46    47    50    51    53    54  
   38    39    52    46    50    51    53  
   36    37  
   37  
    0  
   39    40    41    44    48    49    52    55    56    57    42    43    46    50    51    53  
   40    41    44    45    48    52    55    42    43    46    47    50  
   41    44    45    48    49    52    42    43    46  
   44    45    48    42  
   43    46    47    50    51    53    44    52  
   46    47    50  
   45    48    49    52    55  
   48    49    52  
   47    50    51    53    54  
   50    51    53  
   49    52    55    56    57  
   52    55  
   51    53    54    52  
   53    54  
   55    56    57  
   54  
    0  
   56    57  
   57  
    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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760  -0.115000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    50   268.000  1.529
   38    39   469.000  1.400
   38    52   469.000  1.400
   39    40   469.000  1.400
   39    42   320.000  1.460
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    55   400.000  1.460
   55    56   550.000  1.225
   55    57   550.000  1.225
   42    43   340.000  1.080
   42    46   549.000  1.340
   46    47   340.000  1.080
   46    50   317.000  1.510
   50    51   340.000  1.090
   50    53   320.000  1.410
   53    54   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    80.00000  109.48900
   29    33    50    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    52    70.00000  120.00000
   33    50    46    70.00000  112.02700
   33    50    51    37.50000  110.70000
   33    50    53    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    63.00000  120.00000
   38    39    42    60.00000  120.93500
   38    52    48    63.00000  120.00000
   38    52    55    85.00000  120.00000
   39    40    41    35.00000  120.00000
   39    40    44    63.00000  120.00000
   39    42    43    40.00000  117.26300
   39    42    46    60.00000  123.20500
   40    44    45    35.00000  120.00000
   40    44    48    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    55    85.00000  120.00000
   52    38    39    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    56    80.00000  117.50000
   52    55    57    80.00000  117.50000
   57    55    56    80.00000  125.30000
   42    39    40    60.00000  120.93500
   42    46    47    35.00000  120.00000
   42    46    50    70.00000  124.00000
   46    42    43    35.00000  120.00000
   46    50    51    35.00000  109.50000
   46    50    53    90.00000  110.39200
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.17500
   50    46    47    35.00000  117.00000
   50    53    54    55.00000  108.50000
   53    50    51    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    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    52  -0.16000  1.0 1.0
   29    33    38    52  -0.03200 -1.0 2.0
   29    33    38    52   0.04500  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   33    38    39    40   3.62500 -1.0 2.0
   33    38    39    42   3.62500 -1.0 2.0
   33    38    52    48   3.62500 -1.0 2.0
   33    38    52    55   3.62500 -1.0 2.0
   33    50    53    54  -0.11600  1.0 1.0
   33    50    53    54  -0.09450 -1.0 2.0
   33    50    53    54   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    52   0.00000  1.0 1.0
   34    33    50    46   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    53   0.23400  1.0 3.0
   38    33    50    46   0.21200  1.0 1.0
   38    33    50    46   0.16900 -1.0 2.0
   38    33    50    46  -1.15100  1.0 3.0
   38    33    50    51   0.43200  1.0 3.0
   38    33    50    53   1.13150  1.0 1.0
   38    33    50    53  -1.01400 -1.0 2.0
   38    39    40    41   3.62500 -1.0 2.0
   38    39    40    44   3.62500 -1.0 2.0
   38    39    42    43   0.56550  1.0 3.0
   38    39   -42    46   0.15800  1.0 1.0
   38    39   -42    46   1.85350 -1.0 2.0
   38    39   -42    46  -0.48700  1.0 3.0
   38    52    55    56   0.69950 -1.0 2.0
   38    52    55    57   0.69950 -1.0 2.0
   39    38    52    48   3.62500 -1.0 2.0
   39    38    52    55   3.62500 -1.0 2.0
   39    40    44    45   3.62500 -1.0 2.0
   39    40   -44    48   3.62500 -1.0 2.0
   39    42    46    47   7.00000 -1.0 2.0
   39    42    46    50   7.00000 -1.0 2.0
   40    39    42    43   0.56550  1.0 3.0
   40    39    42    46   0.15800  1.0 1.0
   40    39    42    46   1.85350 -1.0 2.0
   40    39    42    46  -0.48700  1.0 3.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    52   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    48   3.62500 -1.0 2.0
   44    48   -52    38   3.62500 -1.0 2.0
   44    48    52    55   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52    55    56   0.69950 -1.0 2.0
   48    52    55    57   0.69950 -1.0 2.0
   49    48    52    38   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    38   -39    40   3.62500 -1.0 2.0
   52    38    39    42   3.62500 -1.0 2.0
   42    39    40    41   3.62500 -1.0 2.0
   42    39    40    44   3.62500 -1.0 2.0
   42    46   -50    33   0.09850  1.0 1.0
   42    46   -50    33   0.15250 -1.0 2.0
   42    46   -50    33  -0.50650  1.0 3.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    53   0.67800  1.0 1.0
   42    46    50    53   0.47050 -1.0 2.0
   42    46    50    53  -0.62500  1.0 3.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    50   7.00000 -1.0 2.0
   46    50    53    54  -0.07800  1.0 1.0
   46    50    53    54  -0.21500 -1.0 2.0
   46    50    53    54  -0.03150  1.0 3.0
   47    46    50    33   0.00000  1.0 1.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   50    33   -38    39   0.04150 -1.0 2.0
   50    33    38    52   0.04150 -1.0 2.0
   51    50    53    54   0.19450  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
   39    52    38    33   4.00000 -1.0 2.0
   40    42    39    38   4.00000 -1.0 2.0
   44    41    40    39   1.10000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   48    55    52    38   4.00000 -1.0 2.0
   56    52    55    57  10.50000 -1.0 2.0
   39    43    42    46   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
END
