* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    115    168     334
    1     0 S   NP   _N1_     1    29.43330    92.49433   -20.26378
    2     1 S   H    _HN1     2     1.02777   116.11358    93.41618
    3     1 S   H    _H1_     3     1.02701     8.41071   101.34610
    4     1 S   H    _H2_     4     1.03669   101.98562   -23.31165
    5     1 S   CT   _CA1     5     1.49713   107.49895  -141.16313
    6     5 S   HC   _HA1     6     1.09552   105.35298    51.58453
    7     5 S   CO3  _C1_     7     1.53886   112.20022   -68.66469
    8     7 S   O2Z  _O11     8     1.26423   115.16839   -49.25544
    9     7 S   O2Z  _O12     9     1.26279   115.04750   129.95994
   10     5 S   CT   _CB1    10     1.53118   107.61322   169.80613
   11    10 S   HC   HB11    11     1.09796   109.99189   -49.50197
   12    10 S   HC   HB12    12     1.09776   110.23094    66.82787
   13    10 S   CT   _CG1    13     1.53017   112.18260  -170.50504
   14    13 S   HC   HG11    14     1.09586   111.22192   -62.33226
   15    13 S   HC   HG12    15     1.09615   110.37225    56.71110
   16    13 S   C    _CD1    16     1.51394   111.18011   176.77906
   17    16 S   O    _OE1    17     1.22831   121.91151  -107.75105
   18    16 S   N    _N2_    18     1.38353   112.84577    72.31096
   19    18 S   H    _HN2    19     1.01559   119.12046     5.28027
   20    18 S   CT1  _CA2    20     1.45627   122.89961   179.16819
   21    20 S   HC   _HA2    21     1.09599   108.91936    19.85926
   22    20 S   C    _C2_    22     1.52939   107.19345   -96.63019
   23    22 S   O    _O2_    23     1.22961   122.99036   -24.96110
   24    20 S   CT   _CB2    32     1.53145   112.22111   143.14637
   25    24 S   HC   HB21    33     1.09653   109.96765    61.63945
   26    24 S   HC   HB22    34     1.09573   110.81211   178.97664
   27    22 S   N    _N3_    24     1.38652   112.46200   157.52871
   28    27 S   H    _HN3    25     1.01519   119.73546     1.73009
   29    24 S   S    _SG2    35     1.82809   114.39606   -58.46494
   30    27 S   CT   _CA3    26     1.45431   122.63868   176.91891
   31    30 S   HC   HA31    27     1.09557   108.67351    34.65113
   32    30 S   HC   HA32    28     1.09480   107.22051   151.61876
   33    29 S   CT   _C13    36     1.82199    99.83503   -58.72239
   34    33 S   HC   _H3_    37     1.09388   109.20623   -38.54205
   35    33 S   HC   _H4_    38     1.09274   108.58648    78.18822
   36    30 S   CO3  _C3_    29     1.53018   113.81907   -88.29689
   37    36 S   O2Z  _O31    30     1.26342   115.84598   -33.12774
   38    36 S   O2Z  _O32    31     1.26419   114.68217   147.79913
   39    33 S   CM   _C7_    39     1.49866   110.29771  -160.35244
   40    39 S   CMA  _C8_    40     1.52567   121.49293    90.76117
   41    40 S   OM   _O34    41     1.26356   121.24081  -138.11956
   42    40 S   OM   _O13    42     1.26360   120.66731    42.23424
   43    39 S   OS   _O19    43     1.38434   118.35319   -70.87167
   44    43 S   CT   _C11    44     1.43628   113.36028   -77.62622
   45    44 S   HC   _H27    45     1.09802   110.22376    46.48671
   46    44 S   CT   _C9_    46     1.53971   111.26252   -75.36445
   47    46 S   HC   _H24    47     1.09712   108.65324    71.39140
   48    46 S   HC   _H25    48     1.09722   110.42325   -44.54377
   49    46 S   CM   _C5_    49     1.50628   112.34047  -167.32582
   50    49 S   CM   _C4_    50     1.34352   122.43721    17.88483
   51    50 S   HC   _H23    51     1.08742   120.33678  -178.56837
   52    49 S   CO3  _C6_    63     1.54182   118.32958  -161.04554
   53    52 S   O2Z  _O33    64     1.26544   115.01363   -36.37851
   54    52 S   O2Z  _O16    65     1.26489   116.12323   143.44426
   55    50 S   CT   _C10    52     1.50551   123.85165     3.18180
   56    55 S   HC   _H26    53     1.09699   107.23915   128.27449
   57    44 S   CT   _C12    54     1.54037   107.58280   163.54430
   58    57 S   HC   _H28    55     1.09654   108.75098   -56.98396
   59    55 S   OS   _O20    58     1.42669   107.79248  -113.67813
   60    57 S   OH   _O18    56     1.43250   109.55562    59.34271
   61    60 S   HO   _H31    57     0.97229   107.07857  -174.88320
   62    59 S   P3   _P22    59     1.64986   118.19986  -131.10153
   63    62 S   O2Z  _O14    60     1.52643   104.62003   -54.17308
   64    62 S   O2Z  _O15    61     1.52407   103.89410  -173.49217
   65    62 S   O2Z  _O17    62     1.52417   104.57122    66.31489
  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  10  14   8  12   5   4
   9  11   5   3   1   1  10   5   5   3   5   1   1   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    57  
   41    42    43    44  
   42    43  
   43  
   44    45    46    47    48    49    55    57    58    60  
   45    46    47    48    49    50    55    56    57    58    60    61    59    52  
   46    47    48    49    55    57    58    60  
   47    48    49    50    51    55    57    58    60    52    53    54  
   48    49    50    57    52  
   49    50    57    52  
   50    51    55    56    57    59    52    53    54  
   51    55    56    57    58    60    59    62    52    53    54  
   55    56    57    59    52  
   53    54    55  
   54  
    0  
   56    57    58    60    61    59    62    63    64    65  
   57    58    60    59    62  
   58    60    61    59    62  
   60    61    59  
   62    63    64    65    60  
   61  
    0  
   63    64    65  
   64    65  
   65  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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   268.000  1.529
   44    57   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   317.000  1.510
   49    50   549.000  1.340
   49    52   230.000  1.545
   50    51   340.000  1.080
   50    55   317.000  1.510
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   320.000  1.410
   57    58   340.000  1.090
   57    60   320.000  1.410
   60    61   553.000  0.945
   59    62   230.000  1.630
   62    63   525.000  1.516
   62    64   525.000  1.516
   62    65   525.000  1.516
   52    53   656.000  1.250
   52    54   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    50.00000  109.50000
   43    44    57    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    70.00000  112.02700
   44    57    55    58.35000  112.70000
   44    57    58    37.50000  110.70000
   44    57    60    50.00000  109.50000
   46    44    45    37.50000  110.70000
   46    49    50    70.00000  124.00000
   46    49    52    65.00000  117.04000
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    55    70.00000  124.00000
   49    52    53    85.00000  113.83300
   49    52    54    85.00000  113.83300
   50    55    56    35.00000  109.50000
   50    55    57    70.00000  112.02700
   50    55    59    85.00000  110.90400
   55    50    51    35.00000  117.00000
   55    57    58    37.50000  110.70000
   55    57    60    50.00000  109.50000
   55    59    62    80.00000  112.68000
   57    44    45    37.50000  110.70000
   57    44    46    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    60    61    55.00000  108.50000
   60    57    58    35.00000  109.50000
   59    55    56    35.00000  109.50000
   59    55    57    50.00000  109.50000
   59    62    63   100.00000  107.00000
   59    62    64   100.00000  107.00000
   59    62    65   100.00000  107.00000
   64    62    63   140.00000  114.00000
   65    62    63   140.00000  114.00000
   65    62    64   140.00000  114.00000
   52    49    50    55.00000  124.75400
   54    52    53    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  -0.46850  1.0 1.0
   39    43    44    46   0.09300 -1.0 2.0
   39    43    44    46  -0.12850  1.0 3.0
   39    43    44    57  -0.46850  1.0 1.0
   39    43    44    57   0.09300 -1.0 2.0
   39    43    44    57  -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   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    49   0.61850  1.0 1.0
   43    44    46    49  -0.22750 -1.0 2.0
   43    44    46    49   0.15300  1.0 3.0
   43    44    57    55   0.62750  1.0 1.0
   43    44    57    55  -0.30950 -1.0 2.0
   43    44    57    55   0.27300  1.0 3.0
   43    44    57    58   0.23400  1.0 3.0
   43    44    57    60   3.69350  1.0 1.0
   43    44    57    60  -1.82950 -1.0 2.0
   44    46    49    50   0.09850  1.0 1.0
   44    46    49    50   0.15250 -1.0 2.0
   44    46    49    50  -0.50650  1.0 3.0
   44    46    49    52   0.09700  1.0 1.0
   44    46    49    52   0.15600 -1.0 2.0
   44    46    49    52  -0.50800  1.0 3.0
   44    57    60    61  -0.11600  1.0 1.0
   44    57    60    61  -0.09450 -1.0 2.0
   44    57    60    61   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    57    55   0.15000  1.0 3.0
   45    44    57    58   0.15000  1.0 3.0
   45    44    57    60   0.23400  1.0 3.0
   46    44    57    55   0.56750  1.0 1.0
   46    44    57    55  -0.07550 -1.0 2.0
   46    44    57    55   0.20000  1.0 3.0
   46    44    57    58   0.15000  1.0 3.0
   46    44    57    60   0.86500  1.0 1.0
   46    44    57    60  -0.17500 -1.0 2.0
   46    44    57    60   0.20800  1.0 3.0
   46    49    50    51   7.00000 -1.0 2.0
   46    49   -50    55   7.00000 -1.0 2.0
   46    49    52    53  -0.64400  1.0 1.0
   46    49    52    53   0.26850 -1.0 2.0
   46    49    52    54  -0.64400  1.0 1.0
   46    49    52    54   0.26850 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    52   0.15000  1.0 3.0
   49    50    55    56   0.00000  1.0 1.0
   49    50    55    57   0.09850  1.0 1.0
   49    50    55    57   0.15250 -1.0 2.0
   49    50    55    57  -0.50650  1.0 3.0
   49    50    55    59   0.39000  1.0 1.0
   49    50    55    59  -0.05800 -1.0 2.0
   49    50    55    59  -0.55150  1.0 3.0
   50    49    52    53  -0.04000 -1.0 2.0
   50    49    52    53  -0.29050  1.0 3.0
   50    49    52    54  -0.04000 -1.0 2.0
   50    49    52    54  -0.29050  1.0 3.0
   50    55   -57    44   0.34400  1.0 1.0
   50    55   -57    44   0.09450 -1.0 2.0
   50    55   -57    44   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    60   1.05650  1.0 1.0
   50    55    57    60   0.15600 -1.0 2.0
   50    55    57    60   0.53150  1.0 3.0
   50    55    59    62   0.37500  1.0 3.0
   51    50    55    56   0.33100  1.0 3.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    59   0.00000  1.0 1.0
   55    57    60    61  -0.11600  1.0 1.0
   55    57    60    61  -0.09450 -1.0 2.0
   55    57    60    61   0.21250  1.0 3.0
   55    59    62    63   0.00000  1.0 1.0
   55    59    62    64   0.00000  1.0 1.0
   55    59    62    65   0.00000  1.0 1.0
   56    55    57    44   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    60   0.23400  1.0 3.0
   56    55    59    62   0.03000  1.0 3.0
   57    44    46    47   0.15000  1.0 3.0
   57    44    46    48   0.15000  1.0 3.0
   57    44   -46    49   0.34400  1.0 1.0
   57    44   -46    49   0.09450 -1.0 2.0
   57    44   -46    49   0.11100  1.0 3.0
   57    55    59    62  -2.65550  1.0 1.0
   57    55    59    62  -0.22350 -1.0 2.0
   57    55    59    62   0.24150  1.0 3.0
   58    57    60    61   0.19450  1.0 3.0
   59    55    57    44   0.62750  1.0 1.0
   59    55    57    44  -0.30950 -1.0 2.0
   59    55    57    44   0.27300  1.0 3.0
   59    55    57    58   0.23400  1.0 3.0
   59    55    57    60   3.69350  1.0 1.0
   59    55    57    60  -1.82950 -1.0 2.0
   52    49    50    51   7.00000 -1.0 2.0
   52    49    50    55   7.00000 -1.0 2.0
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
   46    52    49    50   1.10000 -1.0 2.0
   55    51    50    49   1.10000 -1.0 2.0
   53    49    52    54  10.50000 -1.0 2.0
END
