* LIGAND DATABASE FILE (OPLS2005)
*
001      57    56     99    140     287
    1     0 S   NP   _N1_     1    28.11376    96.74130   -22.52024
    2     1 S   H    _HN1     2     1.02776   104.20024  -114.38229
    3     1 S   H    _H1_     3     1.02956    74.86269    -8.84127
    4     1 S   H    _H2_     4     1.02835    35.78401   144.60631
    5     1 S   CT   _CA1     5     1.50157   138.31443    94.97099
    6     5 S   HC   _HA1     6     1.09577   105.16569    87.61478
    7     5 S   CO3  _C1_     7     1.53745   112.35836   -32.48799
    8     7 S   O2Z  _O11     8     1.26367   114.97524   -43.21060
    9     7 S   O2Z  _O12     9     1.26228   114.91413   135.69516
   10     5 S   CT   _CB1    10     1.53075   107.40338  -154.52516
   11    10 S   HC   HB11    11     1.09833   109.20431   -50.35221
   12    10 S   HC   HB12    12     1.09813   110.47326    66.15641
   13    10 S   CT   _CG1    13     1.53063   112.76582  -171.41011
   14    13 S   HC   HG11    14     1.09584   110.57147   -67.05029
   15    13 S   HC   HG12    15     1.09664   109.84486    52.18871
   16    13 S   C    _CD1    16     1.51868   112.15754   172.48044
   17    16 S   O    _OE1    17     1.22778   123.22213     5.20157
   18    16 S   N    _N2_    18     1.38591   111.89070  -174.69899
   19    18 S   H    _HN2    19     1.01562   119.11146     3.07479
   20    18 S   CT1  _CA2    20     1.45825   122.63014   176.34505
   21    20 S   HC   _HA2    21     1.09730   108.85574    27.12120
   22    20 S   C    _C2_    22     1.52944   106.76105   -89.91654
   23    22 S   O    _O2_    23     1.22984   122.97619   -30.16600
   24    20 S   CT   _CB2    32     1.53299   112.56061   150.52858
   25    24 S   HC   HB21    33     1.09529   109.80316    52.62982
   26    24 S   HC   HB22    34     1.09311   109.55983   171.28021
   27    22 S   N    _N3_    24     1.38476   112.60647   152.53261
   28    27 S   H    _HN3    25     1.01653   120.39310    -1.51064
   29    24 S   S    _SG2    35     1.82796   110.82032   -67.72609
   30    27 S   CT   _CA3    26     1.45360   122.47652   178.77923
   31    30 S   HC   HA31    27     1.09563   107.65526   -59.76911
   32    30 S   HC   HA32    28     1.09566   107.75821    56.56158
   33    29 S   CT   _C7_    36     1.87780   102.29819  -170.41062
   34    30 S   CO3  _C3_    29     1.52895   114.32592   178.48845
   35    34 S   O2Z  _O31    30     1.26341   116.05302     1.10818
   36    34 S   O2Z  _O32    31     1.26438   114.41491  -178.90122
   37    33 S   CT   _C4_    37     1.54751   106.97209    74.24780
   38    37 S   HC   _H3_    38     1.09438   111.64327   -57.58526
   39    37 S   HC   _H4_    39     1.09907   110.28355    59.07922
   40    33 S   CT   _C8_    45     1.54287   109.54468   -48.71614
   41    40 S   HC   _H5_    46     1.09455   111.41481    72.21652
   42    40 S   HC   _H6_    47     1.09594   111.40717   -48.71580
   43    33 S   CT   _C9_    50     1.55107   105.85820  -168.40470
   44    43 S   HC   _H8_    51     1.09454   110.78975  -175.73561
   45    43 S   HC   _H9_    52     1.09660   111.07554   -56.66920
   46    37 S   CO4  _C5_    40     1.51312   115.28819   179.05291
   47    46 S   O    _O33    41     1.22572   123.86436   -82.71073
   48    40 S   OH   _O36    48     1.42388   111.16651  -168.12557
   49    48 S   HO   _H7_    49     0.97202   107.17080  -179.86730
   50    43 S   OS   _O37    53     1.42675   110.86335    65.41470
   51    46 S   CO3  _C6_    42     1.51013   121.39011    98.10048
   52    51 S   O2Z  _O35    43     1.26723   116.40209   179.90935
   53    51 S   O2Z  _O34    44     1.26667   115.75986     0.32325
   54    50 S   P3   _P1_    54     1.64945   118.56051  -170.30016
   55    54 S   O2Z  _O39    55     1.52525   103.53770  -177.59629
   56    54 S   O2Z  _O40    56     1.52547   104.56762    62.70797
   57    54 S   O2Z  _O38    57     1.52513   104.67705   -57.84944
  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  13   5   4   3
  16   2   1   1  15   6   5   9   4   3   9   3   2   4   3   1
   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    40    41    42    48    43    44    45    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    51    40    41    42    48    49    43    44    45    50    54  
   35    36  
   36  
    0  
   38    39    46    47    51    52    53    40    41    42    48    43    44    45    50  
   39    46    47    51    40    43  
   46    47    51    40    43  
   41    42    48    49    43    44    45    50    46  
   42    48    49    43  
   48    49    43  
   44    45    50    54    55    56    57    46    48  
   45    50    54  
   50    54  
   47    51    52    53  
   51    52    53  
   49  
    0  
   54    55    56    57  
   52    53  
   53  
    0  
   55    56    57  
   56    57  
   57  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.1200   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   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.7500   0.1050   0.600000   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   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   317.000  1.522
   46    47   570.000  1.229
   46    51   250.000  1.524
   51    52   656.000  1.250
   51    53   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   320.000  1.410
   50    54   230.000  1.630
   54    55   525.000  1.516
   54    56   525.000  1.516
   54    57   525.000  1.516
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    50    50.00000  109.50000
   37    46    47    80.00000  120.40000
   37    46    51    65.00000  114.64000
   39    37    38    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    39    35.00000  109.50000
   46    51    52    85.00000  112.82000
   46    51    53    85.00000  112.82000
   51    46    47    80.00000  120.92000
   53    51    52    80.00000  126.00000
   40    33    37    58.35000  112.70000
   40    48    49    55.00000  108.50000
   42    40    41    33.00000  107.80000
   48    40    41    35.00000  109.50000
   48    40    42    35.00000  109.50000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   43    50    54    80.00000  112.68000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    54    55   100.00000  107.00000
   50    54    56   100.00000  107.00000
   50    54    57   100.00000  107.00000
   56    54    55   140.00000  114.00000
   57    54    55   140.00000  114.00000
   57    54    56   140.00000  114.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    50   0.56750  1.0 1.0
   29    33    43    50  -0.07550 -1.0 2.0
   29    33    43    50   0.20000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    51   0.65300  1.0 1.0
   33    37    46    51  -0.03850 -1.0 2.0
   33    37    46    51   0.33900  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   33    43    50    54  -2.65550  1.0 1.0
   33    43    50    54  -0.22350 -1.0 2.0
   33    43    50    54   0.24150  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    50   0.62750  1.0 1.0
   37    33    43    50  -0.30950 -1.0 2.0
   37    33    43    50   0.27300  1.0 3.0
   37    46    51    52   0.49600 -1.0 2.0
   37    46    51    53   0.49600 -1.0 2.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    51   0.00000  1.0 1.0
   39    37    46    47   0.00000  1.0 1.0
   39    37    46    51   0.00000  1.0 1.0
   47    46    51    52   0.06100 -1.0 2.0
   47    46    51    53   0.06100 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46  -0.95700  1.0 1.0
   40    33    37    46  -0.18200 -1.0 2.0
   40    33    37    46   0.29450  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    50   0.62750  1.0 1.0
   40    33    43    50  -0.30950 -1.0 2.0
   40    33    43    50   0.27300  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   42    40    48    49   0.19450  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    46  -0.95700  1.0 1.0
   43    33    37    46  -0.18200 -1.0 2.0
   43    33    37    46   0.29450  1.0 3.0
   43    33    40    41   0.15000  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
   43    33    40    48   0.86500  1.0 1.0
   43    33    40    48  -0.17500 -1.0 2.0
   43    33    40    48   0.20800  1.0 3.0
   43    50    54    55   0.00000  1.0 1.0
   43    50    54    56   0.00000  1.0 1.0
   43    50    54    57   0.00000  1.0 1.0
   44    43    50    54   0.03000  1.0 3.0
   45    43    50    54   0.03000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    51    46    47  10.50000 -1.0 2.0
   52    46    51    53  10.50000 -1.0 2.0
END
