* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     95    145     279
    1     0 S   NP   _N1_     1    29.17921    93.60505   -23.14663
    2     1 S   H    _HN1     2     1.02773    98.28667   -93.91513
    3     1 S   H    _H1_     3     1.02974    93.69152    15.16221
    4     1 S   H    _H2_     4     1.02805    20.87264   146.32886
    5     1 S   CT   _CA1     5     1.50190   131.44571   136.43905
    6     5 S   HC   _HA1     6     1.09581   105.18701    63.12602
    7     5 S   CO3  _C1_     7     1.53799   112.43872   -56.82839
    8     7 S   O2Z  _O11     8     1.26355   115.05832   -40.73224
    9     7 S   O2Z  _O12     9     1.26268   114.93154   138.16747
   10     5 S   CT   _CB1    10     1.53003   107.20205  -179.17433
   11    10 S   HC   HB11    11     1.09815   109.07167   -51.58026
   12    10 S   HC   HB12    12     1.09814   110.36734    64.77204
   13    10 S   CT   _CG1    13     1.52986   112.95233  -172.96210
   14    13 S   HC   HG11    14     1.09590   110.15372   -64.73011
   15    13 S   HC   HG12    15     1.09620   110.33979    54.55742
   16    13 S   C    _CD1    16     1.51752   111.91986   174.40304
   17    16 S   O    _OE1    17     1.22726   123.08258   -17.33777
   18    16 S   N    _N2_    18     1.38589   111.96071   164.26657
   19    18 S   H    _HN2    19     1.01518   119.16046     3.96566
   20    18 S   CT1  _CA2    20     1.46171   123.23141  -176.74310
   21    20 S   HC   _HA2    21     1.09521   109.14447     8.31092
   22    20 S   C    _C2_    22     1.53555   108.96907  -107.22681
   23    22 S   O    _O2_    23     1.23096   122.35394  -144.27214
   24    20 S   CT   _CB2    32     1.53474   111.54488   130.35747
   25    24 S   HC   HB21    33     1.09688   109.31116    68.36612
   26    24 S   HC   HB22    34     1.09525   110.86324  -175.00221
   27    22 S   N    _N3_    24     1.38391   113.85745    42.68379
   28    27 S   H    _HN3    25     1.01574   119.59575    -1.96832
   29    24 S   S    _SG2    35     1.83146   115.06920   -50.35974
   30    27 S   CT   _CA3    26     1.45273   122.96362   177.17825
   31    30 S   HC   HA31    27     1.09558   107.35601   -66.90983
   32    30 S   HC   HA32    28     1.09563   108.10128    49.45001
   33    29 S   CT   _C10    36     1.85290   100.97213   -66.21519
   34    33 S   HC   _H4_    37     1.09171   107.98932    47.40442
   35    30 S   CO3  _C3_    29     1.52902   114.34082   171.51624
   36    35 S   O2Z  _O31    30     1.26336   116.18981    -3.38622
   37    35 S   O2Z  _O32    31     1.26460   114.36147   176.75997
   38    33 S   CM   _C8_    38     1.54151   107.41387   163.81008
   39    33 S   CM   _C11    51     1.50907   107.68922   -71.83182
   40    39 S   HC   _H7_    52     1.09131   117.38385   -53.76961
   41    38 S   CM   _C7_    39     1.34844   122.60690    97.17583
   42    41 S   HC   _H6_    40     1.08337   122.61711     2.44889
   43    39 S   CMA  _C12    53     1.51495   123.99436   122.89932
   44    43 S   OM   _O35    54     1.26274   119.22833  -177.53613
   45    43 S   OM   _O36    55     1.26129   122.53167     2.24245
   46    41 S   CO4  _C6_    41     1.47976   122.19304  -175.26716
   47    46 S   O    _O33    42     1.22789   121.04140  -176.47236
   48    46 S   CM   _C5_    43     1.48057   118.03042     5.59556
   49    48 S   CM   _C4_    44     1.33776   119.77488    -6.66824
   50    49 S   HC   _H5_    45     1.08956   118.29400   179.27991
   51    48 S   OH   _O37    49     1.37860   118.62107   173.68320
   52    51 S   HO   _H8_    50     0.97406   106.54445     0.93670
   53    38 S   CT   _C9_    46     1.53906   116.08405   -80.72614
   54    53 S   OM   _O34    47     1.32202   107.98857   -75.00442
   55    53 S   HC   _H3_    48     1.09951   105.96129    55.42289
  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
  14   6   2   1   1  13   6   3   9   4   2   1   1   7   3   7
   6   4   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    53    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    53    54    55    39    40    43    44    45  
   38    41    53    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    49    50    53    54    55    39    40    43  
   40    43    44    45    41    53  
   43    44    45  
   42    46    47    48    49    53    54    55    51  
   46    47    48    53  
   44    45  
   45  
    0  
   47    48    49    50    53    51    52  
   48    49    51  
   49    50    53    54    55    51    52  
   50    53    54    55    51    52  
   53    54    55    51  
   52    53  
    0  
   54    55  
   55  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   55   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   549.000  1.340
   38    53   317.000  1.510
   41    42   340.000  1.080
   41    46   320.000  1.462
   46    47   570.000  1.229
   46    48   320.000  1.462
   48    49   549.000  1.340
   48    51   510.000  1.338
   49    50   340.000  1.080
   49    53   317.000  1.510
   53    54   570.000  1.307
   53    55   340.000  1.090
   51    52   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
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    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    53    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    65.00000  118.96000
   38    53    49    70.00000  110.12100
   38    53    54    85.00000  110.90400
   38    53    55    35.00000  109.50000
   41    46    47    80.00000  123.72100
   41    46    48    65.00000  118.65900
   46    41    42    40.00000  117.72500
   46    48    49    65.00000  118.96000
   46    48    51    85.00000  116.28000
   48    46    47    80.00000  123.72100
   48    49    50    35.00000  120.00000
   48    49    53    70.00000  124.00000
   48    51    52    70.00000  107.45700
   49    53    54    85.00000  110.90400
   49    53    55    35.00000  109.50000
   53    38    41    70.00000  124.00000
   53    49    50    35.00000  117.00000
   55    53    54    45.00000  125.66300
   51    48    49    80.00000  121.38400
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
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    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   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    53   0.30250  1.0 1.0
   29    33    38    53  -0.14950 -1.0 2.0
   29    33    38    53   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    53    49   0.09700  1.0 1.0
   33    38    53    49   0.15600 -1.0 2.0
   33    38    53    49  -0.50800  1.0 3.0
   33    38    53    54   0.09700  1.0 1.0
   33    38    53    54   0.15600 -1.0 2.0
   33    38    53    54  -0.50800  1.0 3.0
   33    38    53    55   0.34800  1.0 3.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    53   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43  -0.28300  1.0 1.0
   38    33    39    43   0.26700 -1.0 2.0
   38    33    39    43  -0.63300  1.0 3.0
   38    41    46    47   1.00000 -1.0 2.0
   38    41    46    48  -1.18350  1.0 1.0
   38    41    46    48   1.45950 -1.0 2.0
   41    38    53    49  -0.28300  1.0 1.0
   41    38    53    49   0.26700 -1.0 2.0
   41    38    53    49  -0.63300  1.0 3.0
   41    38    53    54   0.39000  1.0 1.0
   41    38    53    54  -0.05800 -1.0 2.0
   41    38    53    54  -0.55150  1.0 3.0
   41    38    53    55   0.00000  1.0 1.0
   41    46   -48    49  -1.18350  1.0 1.0
   41    46   -48    49   1.45950 -1.0 2.0
   41    46    48    51   1.50000 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.93700 -1.0 2.0
   46    48    49    50   7.00000 -1.0 2.0
   46    48    49    53   7.00000 -1.0 2.0
   46    48    51    52   2.00000 -1.0 2.0
   47    46    48    49   1.00000 -1.0 2.0
   47    46    48    51  -0.11900  1.0 1.0
   47    46    48    51   0.76850 -1.0 2.0
   47    46    48    51   0.14100  1.0 3.0
   48    49   -53    38  -0.28300  1.0 1.0
   48    49   -53    38   0.26700 -1.0 2.0
   48    49   -53    38  -0.63300  1.0 3.0
   48    49    53    54   0.39000  1.0 1.0
   48    49    53    54  -0.05800 -1.0 2.0
   48    49    53    54  -0.55150  1.0 3.0
   48    49    53    55   0.00000  1.0 1.0
   49    48    51    52  -0.66100  1.0 1.0
   49    48    51    52   1.20850 -1.0 2.0
   49    48    51    52  -0.36000  1.0 3.0
   50    49    53    38   0.00000  1.0 1.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.33100  1.0 3.0
   53    38    41    42   7.00000 -1.0 2.0
   53    38   -41    46   7.00000 -1.0 2.0
   51    48    49    50   7.00000 -1.0 2.0
   51    48    49    53   7.00000 -1.0 2.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    53   0.09700  1.0 1.0
   39    33    38    53   0.15600 -1.0 2.0
   39    33    38    53  -0.50800  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -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
   33    53    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   41    48    46    47  10.50000 -1.0 2.0
   46    51    48    49   1.10000 -1.0 2.0
   53    50    49    48   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
