* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    156     301
    1     0 S   NP   _N1_     1    28.87577    93.54517   -20.95754
    2     1 S   H    _HN1     2     1.02963    94.60474    29.79156
    3     1 S   H    _H1_     3     1.02840    26.42802   149.71737
    4     1 S   H    _H2_     4     1.02774    90.69086   -78.63843
    5     1 S   CT   _CA1     5     1.50113   137.02566   156.75271
    6     5 S   HC   _HA1     6     1.09565   105.30022    56.28921
    7     5 S   CO3  _C1_     7     1.53776   112.33662   -64.13089
    8     7 S   O2Z  _O11     8     1.26366   115.00102   -45.72705
    9     7 S   O2Z  _O12     9     1.26229   114.91085   133.52468
   10     5 S   CT   _CB1    10     1.53023   107.41716   174.32252
   11    10 S   HC   HB11    11     1.09833   109.43425   -50.17157
   12    10 S   HC   HB12    12     1.09812   110.30703    66.40937
   13    10 S   CT   _CG1    13     1.53050   112.80430  -171.32479
   14    13 S   HC   HG11    14     1.09578   110.56216   -61.95345
   15    13 S   HC   HG12    15     1.09627   110.08052    57.48658
   16    13 S   C    _CD1    16     1.51679   111.85773   177.83300
   17    16 S   O    _OE1    17     1.22716   123.13630    -1.82424
   18    16 S   N    _N2_    18     1.38525   112.12045   177.95751
   19    18 S   H    _HN2    19     1.01603   119.27034     0.46309
   20    18 S   CT1  _CA2    20     1.46105   122.76999  -179.51867
   21    20 S   HC   _HA2    21     1.09631   108.88384   -16.97809
   22    20 S   C    _C2_    22     1.53360   108.41138  -132.02046
   23    22 S   O    _O2_    23     1.22998   122.31868  -144.95367
   24    20 S   CT   _CB2    32     1.53500   112.05008   105.31400
   25    24 S   HC   HB21    33     1.09658   109.50847    60.57442
   26    24 S   HC   HB22    34     1.09578   110.89426   177.74103
   27    22 S   N    _N3_    24     1.38540   113.24269    42.49710
   28    27 S   H    _HN3    25     1.01520   118.94783    -0.48899
   29    24 S   S    _SG2    35     1.82410   114.37592   -59.05797
   30    27 S   CT   _CA3    26     1.45432   123.27441   174.55392
   31    30 S   HC   HA31    27     1.09536   108.98712    28.49990
   32    30 S   HC   HA32    28     1.09485   107.15468   145.53098
   33    29 S   CO4  _C12    36     1.76451   101.29511   -69.64749
   34    33 S   O    _O35    37     1.22450   122.68162   -12.51197
   35    30 S   CO3  _C3_    29     1.52987   113.44608   -94.73431
   36    35 S   O2Z  _O31    30     1.26379   115.62520   -37.82032
   37    35 S   O2Z  _O32    31     1.26392   114.81840   143.14566
   38    33 S   CT   _C11    38     1.51749   113.52447   170.86098
   39    38 S   HC   _H8_    39     1.09770   106.45704    80.25658
   40    38 S   HC   _H9_    40     1.09657   109.90258   -36.06189
   41    38 S   CT   _C10    41     1.53567   112.10112  -159.29332
   42    41 S   HC   _H3_    42     1.09655   109.96351   -50.77783
   43    41 S   CA   _C5_    43     1.51585   113.31676    72.21099
   44    41 S   NP   _N4_    56     1.49973   107.91473  -163.43098
   45    44 S   H    _H10    57     1.02887   111.40676    61.49735
   46    44 S   H    _H11    58     1.02848   112.26678   -58.99778
   47    44 S   H    _H12    59     1.02906   111.03421  -179.29557
   48    43 S   CA   _C4_    44     1.40420   119.78394  -112.72686
   49    48 S   HA   _H4_    45     1.08773   119.92321     0.36262
   50    48 S   CA   _C9_    46     1.39673   120.37784  -179.90309
   51    50 S   CA   _C8_    47     1.39238   120.50148     0.13706
   52    50 S   OH   _O33    54     1.36774   120.33548  -179.84549
   53    52 S   HO   _H6_    55     0.97215   108.99973     3.54442
   54    51 S   CA   _C7_    48     1.39436   119.67870    -0.42382
   55    54 S   Cl   Cl1_    49     1.72565   120.81998  -179.51463
   56    51 S   OH   _O34    52     1.36803   118.82358   179.77971
   57    56 S   HO   _H7_    53     0.97276   108.02385  -179.34210
   58    43 S   CA   _C6_    50     1.40580   121.49288    67.04303
   59    58 S   HA   _H5_    51     1.08770   120.03873    -0.56717
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   8   4   2   1   1  11   5   4  12   7  13   5   2   1   1   9
   4   8   8   3   1   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    48    58    44    45    46    47  
   40    41    42    43    44  
   41    42    43    44  
   42    43    48    49    50    54    58    59    44    45    46    47  
   43    48    58    44    45    46    47  
   48    49    50    51    54    55    58    59    52    44    45    46    47  
   45    46    47    48    58  
   46    47  
   47  
    0  
   49    50    51    54    58    59    56    52    53  
   50    51    58    52  
   51    54    55    58    56    57    52    53  
   54    55    58    59    56    57    52    53  
   53    54    56  
    0  
   55    58    59    56    57  
   58    59    56  
   57    58  
    0  
   59  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660   0.365000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
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   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   317.000  1.510
   41    44   367.000  1.471
   43    48   469.000  1.400
   43    58   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   469.000  1.400
   50    52   450.000  1.364
   51    54   469.000  1.400
   51    56   450.000  1.364
   54    55   300.000  1.725
   54    58   469.000  1.400
   58    59   367.000  1.080
   56    57   553.000  0.945
   52    53   553.000  0.945
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    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    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    63.00000  111.10000
   38    33    34    80.00000  120.40000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.17500
   38    41    44    80.00000  111.20000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    48    70.00000  120.00000
   41    43    58    70.00000  120.00000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   43    41    42    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    50    63.00000  120.00000
   43    58    54    63.00000  120.00000
   43    58    59    35.00000  120.00000
   48    50    51    63.00000  120.00000
   48    50    52    70.00000  120.00000
   50    48    49    35.00000  120.00000
   50    51    54    63.00000  120.00000
   50    51    56    70.00000  120.00000
   50    52    53    35.00000  113.00000
   51    54    55    75.00000  120.00000
   51    54    58    63.00000  120.00000
   51    56    57    35.00000  113.00000
   54    58    59    35.00000  120.00000
   58    43    48    63.00000  120.00000
   58    54    55    75.00000  120.00000
   56    51    54    70.00000  120.00000
   52    50    51    70.00000  120.00000
   44    41    42    35.00000  109.50000
   44    41    43    75.00000  110.83300
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42  -0.11250  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    44  -1.46550  1.0 1.0
   33    38    41    44  -0.30600 -1.0 2.0
   33    38    41    44  -0.05950  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.30150 -1.0 2.0
   38    41    43    48   0.04150 -1.0 2.0
   38    41    43    58   0.04150 -1.0 2.0
   38    41    44    45   0.17350  1.0 3.0
   38    41    44    46   0.17350  1.0 3.0
   38    41    44    47   0.17350  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.43200  1.0 3.0
   39    38    41    44   0.19200  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.43200  1.0 3.0
   40    38    41    44   0.19200  1.0 3.0
   41    43    48    49   3.62500 -1.0 2.0
   41    43    48    50   3.62500 -1.0 2.0
   41    43    58    54   3.62500 -1.0 2.0
   41    43    58    59   3.62500 -1.0 2.0
   42    41    43    48   0.00000  1.0 1.0
   42    41    43    58   0.00000  1.0 1.0
   42    41    44    45   0.13050  1.0 3.0
   42    41    44    46   0.13050  1.0 3.0
   42    41    44    47   0.13050  1.0 3.0
   43    41    44    45   0.17350  1.0 3.0
   43    41    44    46   0.17350  1.0 3.0
   43    41    44    47   0.17350  1.0 3.0
   43    48    50    51   3.62500 -1.0 2.0
   43    48    50    52   3.62500 -1.0 2.0
   48    43    58    54   3.62500 -1.0 2.0
   48    43    58    59   3.62500 -1.0 2.0
   48    50   -51    54   3.62500 -1.0 2.0
   48    50    51    56   3.62500 -1.0 2.0
   48    50    52    53   0.84100 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    51    54    55   3.62500 -1.0 2.0
   50    51    54    58   3.62500 -1.0 2.0
   50    51    56    57   0.84100 -1.0 2.0
   51    50    52    53   0.84100 -1.0 2.0
   51    54   -58    43   3.62500 -1.0 2.0
   51    54    58    59   3.62500 -1.0 2.0
   54    51    56    57   0.84100 -1.0 2.0
   55    54    58    43   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   58    43    48    49   3.62500 -1.0 2.0
   58    43   -48    50   3.62500 -1.0 2.0
   56    51    54    55   3.62500 -1.0 2.0
   56    51    54    58   3.62500 -1.0 2.0
   52    50    51    54   3.62500 -1.0 2.0
   52    50    51    56   3.62500 -1.0 2.0
   44    41    43    48  -0.46400 -1.0 2.0
   44    41    43    58  -0.46400 -1.0 2.0
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
   29    38    33    34  10.50000 -1.0 2.0
   48    58    43    41   4.00000 -1.0 2.0
   50    49    48    43   1.10000 -1.0 2.0
   51    52    50    48   4.00000 -1.0 2.0
   54    56    51    50   4.00000 -1.0 2.0
   58    55    54    51   4.00000 -1.0 2.0
   54    59    58    43   1.10000 -1.0 2.0
END
