* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    154     299
    1     0 S   NP   _N1_     1    28.03785    94.22212   -25.07244
    2     1 S   H    _HN1     2     1.02957    92.39690    -5.42939
    3     1 S   H    _H1_     3     1.02835    17.02031   144.56266
    4     1 S   H    _H2_     4     1.02777   105.60667  -115.22416
    5     1 S   CT   _CA1     5     1.50135   125.45688   111.82019
    6     5 S   HC   _HA1     6     1.09575   105.20866    68.94476
    7     5 S   CO3  _C1_     7     1.53781   112.34891   -51.23700
    8     7 S   O2Z  _O11     8     1.26366   114.99386   -43.98818
    9     7 S   O2Z  _O12     9     1.26234   114.92954   135.06487
   10     5 S   CT   _CB1    10     1.53091   107.41549  -173.15178
   11    10 S   HC   HB11    11     1.09829   109.31845   -50.41022
   12    10 S   HC   HB12    12     1.09815   110.43357    66.13932
   13    10 S   CT   _CG1    13     1.53026   112.68699  -171.47133
   14    13 S   HC   HG11    14     1.09592   110.50954   -64.74334
   15    13 S   HC   HG12    15     1.09657   109.90429    54.46606
   16    13 S   C    _CD1    16     1.51846   112.27966   174.83191
   17    16 S   O    _OE1    17     1.22760   123.27645     1.36171
   18    16 S   N    _N2_    18     1.38557   111.75106  -178.58224
   19    18 S   H    _HN2    19     1.01561   119.10988     3.88297
   20    18 S   CT1  _CA2    20     1.45844   122.82585   178.15093
   21    20 S   HC   _HA2    21     1.09727   108.83025    26.25134
   22    20 S   C    _C2_    22     1.52929   106.95834   -90.88114
   23    22 S   O    _O2_    23     1.22991   123.02257   -27.91293
   24    20 S   CT   _CB2    32     1.53135   112.29688   149.42254
   25    24 S   HC   HB21    33     1.09614   110.31299    55.15219
   26    24 S   HC   HB22    34     1.09540   110.27079   174.15521
   27    22 S   N    _N3_    24     1.38499   112.63254   154.79913
   28    27 S   H    _HN3    25     1.01664   120.35866    -2.13359
   29    24 S   S    _SG2    35     1.82309   111.39004   -65.59717
   30    27 S   CT   _CA3    26     1.45362   122.41358   178.67559
   31    30 S   HC   HA31    27     1.09571   107.72123   -56.95186
   32    30 S   HC   HA32    28     1.09563   107.67641    59.34916
   33    29 S   CT   _C13    36     1.81896    98.47708   178.67455
   34    33 S   HC   _H3_    37     1.09503   108.94305   -57.69527
   35    33 S   HC   _H4_    38     1.09384   109.10193    59.72362
   36    30 S   CO3  _C3_    29     1.52875   114.39496  -178.90015
   37    36 S   O2Z  _O31    30     1.26324   116.08010    -2.83973
   38    36 S   O2Z  _O32    31     1.26437   114.40422   177.16206
   39    33 S   CM   _C9_    39     1.49221   110.32459  -177.87809
   40    39 S   CMA  _C10    40     1.52026   122.66848   -89.10035
   41    40 S   OM   _O34    41     1.26327   121.11386   130.75085
   42    40 S   OM   _O13    42     1.26315   120.51724   -49.19287
   43    39 S   OS   _O16    43     1.38282   116.29866    79.15878
   44    43 S   CT   _C12    44     1.43987   112.55896   121.77596
   45    44 S   HC   _H22    45     1.09921   111.86854     7.92835
   46    44 S   CM   _C6_    46     1.51230   106.49179  -109.40636
   47    46 S   HC   _H20    47     1.08662   116.17697    75.64636
   48    46 S   CM   _C7_    48     1.34305   123.06573  -103.74213
   49    48 S   CM   _C4_    49     1.44482   120.57626     1.00697
   50    49 S   HC   _H18    50     1.08518   119.13062   170.58725
   51    48 S   CO3  _C8_    57     1.54394   121.28841   179.50150
   52    51 S   O2Z  _O33    58     1.26614   115.94802   -18.01690
   53    51 S   O2Z  _O14    59     1.26616   115.91680   161.82936
   54    49 S   CM   _C5_    51     1.34048   121.41541    -9.96642
   55    54 S   HC   _H19    52     1.08578   119.46517  -178.75228
   56    44 S   CT   _C11    53     1.54927   108.04886   127.93227
   57    56 S   HC   _H21    54     1.09618   109.63203   -26.66397
   58    56 S   OH   _O15    55     1.43050   108.94854  -144.01203
   59    58 S   HO   _H25    56     0.97195   107.32849   170.29090
  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   6   5   4   3
   8   4   3   2   1   1   8   4   2   1   9  12   7  11   4   8
   9   4   3   1   1   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    43  
   39    40    43  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    56  
   41    42    43    44  
   42    43  
   43  
   44    45    46    47    48    54    56    57    58  
   45    46    47    48    49    54    55    56    57    58    59    51  
   46    47    48    54    56    57    58  
   47    48    49    50    54    56    57    58    51    52    53  
   48    49    56    51  
   49    50    54    55    56    51    52    53  
   50    54    55    56    57    58    51    52    53  
   54    55    56    51  
   52    53    54  
   53  
    0  
   55    56    57    58    59  
   56    57    58  
   57    58    59  
   58    59  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   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   0.0760  -0.310300   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   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    43   440.000  1.360
   40    41   745.000  1.250
   40    42   745.000  1.250
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    56   268.000  1.529
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   380.000  1.444
   48    51   230.000  1.545
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    56   317.000  1.510
   56    57   340.000  1.090
   56    58   320.000  1.410
   58    59   553.000  0.945
   51    52   656.000  1.250
   51    53   656.000  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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    43    85.00000  112.85300
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    65.00000  137.10300
   39    43    44    90.00000  111.18400
   42    40    41    65.00000  121.00000
   43    39    40    80.00000  120.01400
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    56    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    48    70.00000  124.00000
   44    56    54    70.00000  112.02700
   44    56    57    37.50000  110.70000
   44    56    58    50.00000  109.50000
   46    44    45    35.00000  109.50000
   46    48    49    70.00000  123.01800
   46    48    51    55.00000  124.75400
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    54    70.00000  123.01800
   48    51    52    85.00000  113.83300
   48    51    53    85.00000  113.83300
   49    54    55    35.00000  120.00000
   49    54    56    70.00000  124.00000
   54    49    50    35.00000  120.00000
   54    56    57    35.00000  109.50000
   54    56    58    90.00000  110.39200
   56    44    45    37.50000  110.70000
   56    44    46    70.00000  112.02700
   56    54    55    35.00000  117.00000
   56    58    59    55.00000  108.50000
   58    56    57    35.00000  109.50000
   51    48    49    55.00000  124.75400
   53    51    52    80.00000  126.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    43   0.09700  1.0 1.0
   29    33    39    43   0.15600 -1.0 2.0
   29    33    39    43  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    43    44   2.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    43   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    43   0.00000  1.0 1.0
   39    43    44    45   0.08050  1.0 3.0
   39    43    44    46  -0.48150  1.0 1.0
   39    43    44    46   0.09250 -1.0 2.0
   39    43    44    46  -0.12850  1.0 3.0
   39    43    44    56  -0.46850  1.0 1.0
   39    43    44    56   0.09300 -1.0 2.0
   39    43    44    56  -0.12850  1.0 3.0
   40    39    43    44  -2.26850  1.0 1.0
   40    39    43    44   3.39050 -1.0 2.0
   43    39    40    41   7.00000 -1.0 2.0
   43    39    40    42   7.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    48   0.39000  1.0 1.0
   43    44    46    48  -0.05800 -1.0 2.0
   43    44    46    48  -0.55150  1.0 3.0
   43    44    56    54   0.61850  1.0 1.0
   43    44    56    54  -0.22750 -1.0 2.0
   43    44    56    54   0.15300  1.0 3.0
   43    44    56    57   0.23400  1.0 3.0
   43    44    56    58   3.69350  1.0 1.0
   43    44    56    58  -1.82950 -1.0 2.0
   44    46    48    49   7.00000 -1.0 2.0
   44    46    48    51   7.00000 -1.0 2.0
   44    56    58    59  -0.11600  1.0 1.0
   44    56    58    59  -0.09450 -1.0 2.0
   44    56    58    59   0.21250  1.0 3.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    56    54   0.15000  1.0 3.0
   45    44    56    57   0.15000  1.0 3.0
   45    44    56    58   0.23400  1.0 3.0
   46    44    56    54   0.31000  1.0 1.0
   46    44    56    54   0.14700 -1.0 2.0
   46    44    56    54   0.07550  1.0 3.0
   46    44    56    57   0.15000  1.0 3.0
   46    44    56    58   1.05650  1.0 1.0
   46    44    56    58   0.15600 -1.0 2.0
   46    44    56    58   0.53150  1.0 3.0
   46    48    49    50  -0.18600  1.0 3.0
   46    48   -49    54   0.28850  1.0 1.0
   46    48   -49    54   2.61350 -1.0 2.0
   46    48   -49    54   0.78400  1.0 3.0
   46    48    51    52  -0.04000 -1.0 2.0
   46    48    51    52  -0.29050  1.0 3.0
   46    48    51    53  -0.04000 -1.0 2.0
   46    48    51    53  -0.29050  1.0 3.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    51   7.00000 -1.0 2.0
   48    49    54    55   7.00000 -1.0 2.0
   48    49    54    56   7.00000 -1.0 2.0
   49    48    51    52  -0.04000 -1.0 2.0
   49    48    51    52  -0.29050  1.0 3.0
   49    48    51    53  -0.04000 -1.0 2.0
   49    48    51    53  -0.29050  1.0 3.0
   49    54   -56    44   0.09850  1.0 1.0
   49    54   -56    44   0.15250 -1.0 2.0
   49    54   -56    44  -0.50650  1.0 3.0
   49    54    56    57   0.00000  1.0 1.0
   49    54    56    58   0.67800  1.0 1.0
   49    54    56    58   0.47050 -1.0 2.0
   49    54    56    58  -0.62500  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    56   7.00000 -1.0 2.0
   54    56    58    59  -0.07800  1.0 1.0
   54    56    58    59  -0.21500 -1.0 2.0
   54    56    58    59  -0.03150  1.0 3.0
   55    54    56    44   0.00000  1.0 1.0
   55    54    56    57   0.33100  1.0 3.0
   55    54    56    58   0.00000  1.0 1.0
   56    44    46    47   0.00000  1.0 1.0
   56    44   -46    48   0.09850  1.0 1.0
   56    44   -46    48   0.15250 -1.0 2.0
   56    44   -46    48  -0.50650  1.0 3.0
   57    56    58    59   0.19450  1.0 3.0
   51    48    49    50   0.00000  1.0 1.0
   51    48    49    54  -0.18600  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    43    39    40  15.00000 -1.0 2.0
   41    42    40    39  15.00000 -1.0 2.0
   44    47    46    48   1.10000 -1.0 2.0
   49    51    48    46   1.10000 -1.0 2.0
   48    50    49    54   1.10000 -1.0 2.0
   56    55    54    49   1.10000 -1.0 2.0
   52    48    51    53  10.50000 -1.0 2.0
END
