* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    108    158     315
    1     0 S   NP   _N1_     1    28.92750    94.81105   -21.98782
    2     1 S   H    _HN1     2     1.02928    76.64957   -30.95427
    3     1 S   H    _H1_     3     1.02809    33.63286   124.12285
    4     1 S   H    _H2_     4     1.02808   105.44495  -136.65324
    5     1 S   CT   _CA1     5     1.50129   136.42269    74.78792
    6     5 S   HC   _HA1     6     1.09572   105.13814    85.99256
    7     5 S   CO3  _C1_     7     1.53804   112.35631   -34.24652
    8     7 S   O2Z  _O11     8     1.26393   115.01492   -44.70574
    9     7 S   O2Z  _O12     9     1.26270   115.06613   134.16620
   10     5 S   CT   _CB1    10     1.53065   107.33513  -155.96416
   11    10 S   HC   HB11    11     1.09843   109.52940   -47.45044
   12    10 S   HC   HB12    12     1.09794   110.59535    69.32565
   13    10 S   CT   _CG1    13     1.52896   112.29207  -168.15297
   14    13 S   HC   HG11    14     1.09510   110.87142   -67.54482
   15    13 S   HC   HG12    15     1.09604   109.27878    51.75624
   16    13 S   C    _CD1    16     1.51654   111.92100   172.20218
   17    16 S   O    _OE1    17     1.22812   123.05138    20.57004
   18    16 S   N    _N2_    18     1.38394   111.95700  -159.95325
   19    18 S   H    _HN2    19     1.02136   119.17326     1.68470
   20    18 S   CT1  _CA2    20     1.45714   122.78953   173.62459
   21    20 S   HC   _HA2    21     1.09717   108.76272    31.44140
   22    20 S   C    _C2_    22     1.53124   108.45322   -84.46617
   23    22 S   O    _O2_    23     1.23167   120.84169   148.05720
   24    20 S   CT   _CB2    32     1.52976   111.78929   155.03986
   25    24 S   HC   HB21    33     1.09419   110.66869    51.14352
   26    24 S   HC   HB22    34     1.09567   110.14827   169.09712
   27    22 S   N    _N3_    24     1.38349   114.60148   -38.85778
   28    27 S   H    _HN3    25     1.01960   119.19421     2.10534
   29    24 S   S    _SG2    35     1.82834   111.26271   -72.50598
   30    27 S   CT   _CA3    26     1.45295   123.06124   178.56960
   31    30 S   HC   HA31    27     1.09554   108.51273    38.31420
   32    30 S   HC   HA32    28     1.09478   107.24065   155.25036
   33    29 S   CT   _C4_    36     1.82692   100.28838   129.93056
   34    33 S   HC   _H6_    37     1.09440   110.06210    21.06202
   35    33 S   HC   _H7_    38     1.09526   106.65094   137.36020
   36    30 S   CO3  _C3_    29     1.53153   114.01678   -84.49593
   37    36 S   O2Z  _O31    30     1.26369   116.19879   -31.48034
   38    36 S   O2Z  _O32    31     1.26519   114.55489   149.35983
   39    33 S   CT   _C5_    39     1.52829   111.63080  -103.10250
   40    39 S   HC   _H3_    40     1.09771   109.85315   -50.55607
   41    39 S   CT   _C6_    41     1.52852   111.32746  -172.79867
   42    41 S   HC   _H4_    42     1.09628   112.57425   -31.39171
   43    41 S   CT   _C7_    43     1.51319   101.34169  -149.98106
   44    43 S   HC   _H5_    44     1.09651   109.58430   -78.12789
   45    41 S   OH   _O40    59     1.41833   112.25089    90.19128
   46    45 S   HO   _H12    60     0.97258   108.34504    56.54205
   47    43 S   CT   _C8_    45     1.53329   101.04352    40.67755
   48    43 S   OH   _O39    57     1.41602   112.55558   161.82552
   49    48 S   HO   _H11    58     0.97239   107.31824    53.46943
   50    39 S   OS   _O33    46     1.44163   111.52838    68.40199
   51    47 S   CT   _C9_    47     1.53040   112.37940  -159.06059
   52    51 S   HC   _H8_    48     1.09480   110.99669   -67.95539
   53    51 S   HC   _H9_    49     1.09276   110.86830   171.76250
   54    47 S   OS   _O35    52     1.43089   108.26455    76.83647
   55    51 S   OH   _O34    50     1.42482   110.93863    52.79104
   56    55 S   HO   _H10    51     0.97629   106.90072   169.44475
   57    54 S   P3   _P1_    53     1.64565   122.73836   173.57133
   58    57 S   O2Z  _O37    54     1.52510   103.26596   160.82051
   59    57 S   O2Z  _O38    55     1.52436   105.75929    40.92485
   60    57 S   O2Z  _O36    56     1.52483   104.35978   -79.96408
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  13   7   4   1  13   4
   1   6   6   4   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    41    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    50    45  
   35    39    40    41    50  
   39    40    41    50  
   37    38  
   38  
    0  
   40    41    42    43    44    47    50    51    54    48    45    46  
   41    42    43    47    50    45  
   42    43    44    47    50    51    54    48    49    45    46  
   43    44    47    50    48    45    46  
   44    47    50    51    52    53    55    54    57    48    49    45    46  
   47    50    51    54    48    49    45  
   46    47    48    50  
    0  
   50    51    52    53    55    56    54    57    58    59    60    48    49  
   49    50    51    54  
    0  
   51    52    53    55    54    57  
   52    53    55    56    54    57  
   53    55    56    54  
   55    56    54  
   57    58    59    60    55  
   56  
    0  
   58    59    60  
   59    60  
   60  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.422500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.782500   1.7660   1.5600   0.020110767  -0.896042159
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    50   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    48   320.000  1.410
   47    50   320.000  1.410
   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    55   320.000  1.410
   55    56   553.000  0.945
   54    57   230.000  1.630
   57    58   525.000  1.516
   57    59   525.000  1.516
   57    60   525.000  1.516
   48    49   553.000  0.945
   45    46   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    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    50    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    50    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    50    50.00000  109.50000
   43    47    51    58.35000  112.70000
   43    47    54    50.00000  109.50000
   43    48    49    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    55    50.00000  109.50000
   47    54    57    80.00000  112.68000
   50    39    40    35.00000  109.50000
   50    39    41    50.00000  109.50000
   51    47    50    50.00000  109.50000
   51    55    56    55.00000  108.50000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   54    47    50   110.00000  112.65000
   54    47    51    50.00000  109.50000
   54    57    58   100.00000  107.00000
   54    57    59   100.00000  107.00000
   54    57    60   100.00000  107.00000
   59    57    58   140.00000  114.00000
   60    57    58   140.00000  114.00000
   60    57    59   140.00000  114.00000
   48    43    44    35.00000  109.50000
   48    43    47    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  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    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   0.01700  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    50   0.56750  1.0 1.0
   29    33    39    50  -0.07550 -1.0 2.0
   29    33    39    50   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    50    47   0.06250  1.0 1.0
   33    39    50    47  -0.01100 -1.0 2.0
   33    39    50    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    50   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    50   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    50    47   0.37050  1.0 3.0
   41    39   -50    47   0.06250  1.0 1.0
   41    39   -50    47  -0.01100 -1.0 2.0
   41    39   -50    47   0.28050  1.0 3.0
   41    43   -47    50   0.62750  1.0 1.0
   41    43   -47    50  -0.30950 -1.0 2.0
   41    43   -47    50   0.27300  1.0 3.0
   41    43    47    51   0.56750  1.0 1.0
   41    43    47    51  -0.07550 -1.0 2.0
   41    43    47    51   0.20000  1.0 3.0
   41    43    47    54   0.62750  1.0 1.0
   41    43    47    54  -0.30950 -1.0 2.0
   41    43    47    54   0.27300  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47   -50    39   0.06250  1.0 1.0
   43    47   -50    39  -0.01100 -1.0 2.0
   43    47   -50    39   0.28050  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    53   0.15000  1.0 3.0
   43    47    51    55   0.86500  1.0 1.0
   43    47    51    55  -0.17500 -1.0 2.0
   43    47    51    55   0.20800  1.0 3.0
   43    47    54    57  -2.65550  1.0 1.0
   43    47    54    57  -0.22350 -1.0 2.0
   43    47    54    57   0.24150  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    54   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   47    43    48    49  -0.11600  1.0 1.0
   47    43    48    49  -0.09450 -1.0 2.0
   47    43    48    49   0.21250  1.0 3.0
   47    51    55    56  -0.11600  1.0 1.0
   47    51    55    56  -0.09450 -1.0 2.0
   47    51    55    56   0.21250  1.0 3.0
   47    54    57    58   0.00000  1.0 1.0
   47    54    57    59   0.00000  1.0 1.0
   47    54    57    60   0.00000  1.0 1.0
   50    39    41    42   0.23400  1.0 3.0
   50    39   -41    43   0.62750  1.0 1.0
   50    39   -41    43  -0.30950 -1.0 2.0
   50    39   -41    43   0.27300  1.0 3.0
   50    39    41    45   3.69350  1.0 1.0
   50    39    41    45  -1.82950 -1.0 2.0
   50    47    51    52   0.23400  1.0 3.0
   50    47    51    53   0.23400  1.0 3.0
   50    47    51    55   3.69350  1.0 1.0
   50    47    51    55  -1.82950 -1.0 2.0
   50    47    54    57   0.37500  1.0 3.0
   51    47    50    39   0.06250  1.0 1.0
   51    47    50    39  -0.01100 -1.0 2.0
   51    47    50    39   0.28050  1.0 3.0
   51    47    54    57  -2.65550  1.0 1.0
   51    47    54    57  -0.22350 -1.0 2.0
   51    47    54    57   0.24150  1.0 3.0
   52    51    55    56   0.19450  1.0 3.0
   53    51    55    56   0.19450  1.0 3.0
   54    47    50    39  -0.11650  1.0 1.0
   54    47    50    39  -1.14850 -1.0 2.0
   54    47    50    39   0.58850  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    55   3.69350  1.0 1.0
   54    47    51    55  -1.82950 -1.0 2.0
   48    43    47    50   3.69350  1.0 1.0
   48    43    47    50  -1.82950 -1.0 2.0
   48    43    47    51   0.86500  1.0 1.0
   48    43    47    51  -0.17500 -1.0 2.0
   48    43    47    51   0.20800  1.0 3.0
   48    43    47    54   3.69350  1.0 1.0
   48    43    47    54  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    48   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
END
