* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    117    176     349
    1     0 S   NP   _N1_     1    28.79113    96.64850   -22.31453
    2     1 S   H    _HN1     2     1.02949    71.66502    15.94968
    3     1 S   H    _H1_     3     1.02828    42.40715   161.15912
    4     1 S   H    _H2_     4     1.02785    97.87545   -90.86959
    5     1 S   CT   _CA1     5     1.50105   146.36733   115.43736
    6     5 S   HC   _HA1     6     1.09572   105.19862    90.29566
    7     5 S   CO3  _C1_     7     1.53793   112.51654   -29.95090
    8     7 S   O2Z  _O11     8     1.26370   115.00673   -41.53569
    9     7 S   O2Z  _O12     9     1.26244   114.95346   137.66874
   10     5 S   CT   _CB1    10     1.53087   107.42985  -151.69322
   11    10 S   HC   HB11    11     1.09831   109.38240   -49.65892
   12    10 S   HC   HB12    12     1.09813   110.43834    66.95999
   13    10 S   CT   _CG1    13     1.52981   112.59506  -170.64010
   14    13 S   HC   HG11    14     1.09581   110.62578   -65.59792
   15    13 S   HC   HG12    15     1.09671   109.78344    53.62707
   16    13 S   C    _CD1    16     1.51791   112.27710   174.09857
   17    16 S   O    _OE1    17     1.22721   123.31325     6.58874
   18    16 S   N    _N2_    18     1.38668   111.62902  -173.46976
   19    18 S   H    _HN2    19     1.01572   118.86779     2.18543
   20    18 S   CT1  _CA2    20     1.46186   123.40854   177.55559
   21    20 S   HC   _HA2    21     1.09732   109.41008     3.63868
   22    20 S   C    _C2_    22     1.53549   108.52624  -111.90673
   23    22 S   O    _O2_    23     1.23058   122.26524  -146.76305
   24    20 S   CT   _CB2    32     1.53324   111.54303   125.72672
   25    24 S   HC   HB21    33     1.09502   110.02719    56.25148
   26    24 S   HC   HB22    34     1.09523   110.12201   175.27810
   27    22 S   N    _N3_    24     1.38318   113.70887    40.56565
   28    27 S   H    _HN3    25     1.01581   119.62447    -3.10375
   29    24 S   S    _SG2    35     1.82777   111.57302   -65.12887
   30    27 S   CT   _CA3    26     1.45295   123.21875   177.23494
   31    30 S   HC   HA31    27     1.09548   107.49060   -65.08903
   32    30 S   HC   HA32    28     1.09556   108.01077    51.35839
   33    29 S   CT   _C10    36     1.85918    99.65045   179.91377
   34    33 S   HC   _H5_    37     1.09716   106.85672    28.22985
   35    30 S   CO3  _C3_    29     1.52966   114.06749   173.36324
   36    35 S   O2Z  _O31    30     1.26377   116.06165    -0.92788
   37    35 S   O2Z  _O32    31     1.26426   114.41676   179.13815
   38    33 S   CM   _C9_    38     1.53650   106.48786   142.14706
   39    33 S   CT   _C11    51     1.54197   106.99772   -84.23165
   40    39 S   HC   _H13    52     1.09211   115.63071   -54.12476
   41    39 S   HC   _H14    53     1.09787   107.97467    63.68449
   42    38 S   CMA  _C8_    39     1.36537   128.25361    98.35967
   43    42 S   OM   _O34    40     1.26606   129.48793   177.54848
   44    38 S   CT   _C12    60     1.52838   112.28088   -83.68194
   45    44 S   HC   _H15    61     1.09403   113.43884   174.64134
   46    44 S   HC   _H16    62     1.09490   110.63457    54.30745
   47    42 S   CT   _C7_    41     1.53655   119.61891    -0.57267
   48    47 S   HC   _H4_    42     1.08987   109.36353   -40.53944
   49    44 S   OH   _O33    63     1.42471   109.26192   -65.12267
   50    49 S   HO   _H17    64     0.97231   106.74567  -177.01574
   51    47 S   CT   _C6_    43     1.54016   112.94125    83.82673
   52    51 S   HC   _H11    44     1.09724   108.90936  -162.90583
   53    51 S   HC   _H12    45     1.09928   108.17405    84.06842
   54    47 S   OH   _O35    58     1.43995   113.44512  -153.91554
   55    54 S   HO   _H18    59     0.97443   106.18655   -17.24665
   56    51 S   CT   _C5_    46     1.52773   116.65050   -36.92912
   57    56 S   HC   _H9_    47     1.09394   113.01996    52.96214
   58    56 S   HC   _H10    48     1.09676   109.42475   169.99917
   59    56 S   NP   _N4_    49     1.51095   114.70069   -70.17310
   60    59 S   H    _H3_    50     1.02917   105.09653   162.16214
   61    59 S   CT   _C4_    54     1.51263   111.22367   -84.45909
   62    61 S   HC   _H6_    55     1.09274   108.66653    66.97177
   63    61 S   HC   _H7_    56     1.09339   108.19415  -172.45012
   64    61 S   HC   _H8_    57     1.09324   108.31210   -53.99415
  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
  16   7   2   1   1  15  14   5   4  13   5   5   3   2  10   6
   1   1  10   6   5   2   1   8   4   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    56    59    60    39    40    41    61    44    45    46    49  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    51    59    39    40    41    54    44    45    46    49    50  
   40    41    61    62    63    64    44    42    51    56    57    58    59    60  
   41    61    56    59    60  
   61    56    59    60  
   43    47    48    51    52    53    56    54    55    44    45    46    49  
   47    48    51    54    44  
   45    46    49    50    47  
   46    49    50  
   49    50  
   48    51    52    53    56    57    58    59    54    55  
   51    52    53    56    54    55  
   50  
    0  
   52    53    56    57    58    59    60    61    54    55  
   53    56    57    58    59    54  
   56    57    58    59    54  
   55    56  
    0  
   57    58    59    60    61    62    63    64  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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   1.6450   1.4500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   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   268.000  1.529
   38    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   367.000  1.471
   59    60   434.000  1.010
   59    39   367.000  1.471
   59    61   367.000  1.471
   39    40   340.000  1.090
   39    41   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   54    55   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   320.000  1.410
   49    50   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    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    59    80.00000  111.20000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    47    65.00000  122.18000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    49    90.00000  110.39200
   42    47    48    45.00000  110.52000
   42    47    51    70.00000  112.02700
   42    47    54    90.00000  110.39200
   47    42    43    85.00000  112.85300
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    56    58.35000  112.70000
   47    54    55    55.00000  108.50000
   51    47    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    80.00000  111.20000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    59    60    35.00000  109.50000
   56    59    39    75.00000  113.01200
   56    59    61    75.00000  113.01200
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    39    40    35.00000  109.50000
   59    39    41    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    59    60    35.00000  109.50000
   41    39    40    33.00000  107.80000
   61    59    60    35.00000  109.50000
   61    59    39    75.00000  113.01200
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    51    50.00000  109.50000
   44    38    42    70.00000  124.00000
   44    49    50    55.00000  108.50000
   46    44    45    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    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   0.01700  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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    59   0.56750  1.0 1.0
   29    33    39    59  -0.07550 -1.0 2.0
   29    33    39    59   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    49   0.18000  1.0 1.0
   33    38    44    49   0.16450 -1.0 2.0
   33    38    44    49   0.04450  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    59   0.19200  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    59  -0.47300  1.0 1.0
   38    33    39    59   0.29700 -1.0 2.0
   38    33    39    59   0.83300  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    51   0.09850  1.0 1.0
   38    42    47    51   0.15250 -1.0 2.0
   38    42    47    51  -0.50650  1.0 3.0
   38    42    47    54   0.67800  1.0 1.0
   38    42    47    54   0.47050 -1.0 2.0
   38    42    47    54  -0.62500  1.0 3.0
   38    44    49    50  -0.07800  1.0 1.0
   38    44    49    50  -0.21500 -1.0 2.0
   38    44    49    50  -0.03150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    49   0.67800  1.0 1.0
   42    38    44    49   0.47050 -1.0 2.0
   42    38    44    49  -0.62500  1.0 3.0
   42    47    51    52   0.15000  1.0 3.0
   42    47    51    53   0.15000  1.0 3.0
   42    47    51    56   0.34400  1.0 1.0
   42    47    51    56   0.09450 -1.0 2.0
   42    47    51    56   0.11100  1.0 3.0
   42    47    54    55  -0.07800  1.0 1.0
   42    47    54    55  -0.21500 -1.0 2.0
   42    47    54    55  -0.03150  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    51   0.09700  1.0 1.0
   43    42    47    51   0.15600 -1.0 2.0
   43    42    47    51  -0.50800  1.0 3.0
   43    42    47    54   0.09700  1.0 1.0
   43    42    47    54   0.15600 -1.0 2.0
   43    42    47    54  -0.50800  1.0 3.0
   47    51    56    57   0.15000  1.0 3.0
   47    51    56    58   0.15000  1.0 3.0
   47    51    56    59   1.36600  1.0 1.0
   47    51    56    59  -0.11450 -1.0 2.0
   47    51    56    59   0.24250  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    56   0.15000  1.0 3.0
   48    47    54    55   0.19450  1.0 3.0
   51    47    54    55  -0.11600  1.0 1.0
   51    47    54    55  -0.09450 -1.0 2.0
   51    47    54    55   0.21250  1.0 3.0
   51    56    59    60   0.17350  1.0 3.0
   51    56    59    39   0.47100  1.0 1.0
   51    56    59    61   0.47100  1.0 1.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.19200  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    59   0.19200  1.0 3.0
   56    59    39    33   0.47100  1.0 1.0
   56    59    39    40   0.15000  1.0 3.0
   56    59    39    41   0.15000  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    64   0.15000  1.0 3.0
   57    56    59    60   0.13050  1.0 3.0
   57    56    59    39   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   58    56    59    60   0.13050  1.0 3.0
   58    56    59    39   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   60    59    39    33   0.17350  1.0 3.0
   60    59    39    40   0.13050  1.0 3.0
   60    59    39    41   0.13050  1.0 3.0
   60    59    61    62   0.13050  1.0 3.0
   60    59    61    63   0.13050  1.0 3.0
   60    59    61    64   0.13050  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   39    59    61    62   0.15000  1.0 3.0
   39    59    61    63   0.15000  1.0 3.0
   39    59    61    64   0.15000  1.0 3.0
   61    59    39    33   0.47100  1.0 1.0
   61    59    39    40   0.15000  1.0 3.0
   61    59    39    41   0.15000  1.0 3.0
   54    47    51    52   0.23400  1.0 3.0
   54    47    51    53   0.23400  1.0 3.0
   54    47    51    56   0.86500  1.0 1.0
   54    47    51    56  -0.17500 -1.0 2.0
   54    47    51    56   0.20800  1.0 3.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    47   7.00000 -1.0 2.0
   45    44    49    50   0.19450  1.0 3.0
   46    44    49    50   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
   33    44    38    42   1.10000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
END
