* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    103    159     306
    1     0 S   NP   _N1_     1    27.97484    95.45590   -22.96206
    2     1 S   H    _HN1     2     1.02776   100.44759  -115.17978
    3     1 S   H    _H1_     3     1.02957    84.69037    -7.46180
    4     1 S   H    _H2_     4     1.02834    27.86804   136.16434
    5     1 S   CT   _CA1     5     1.50129   136.03073   106.58657
    6     5 S   HC   _HA1     6     1.09574   105.21413    73.43064
    7     5 S   CO3  _C1_     7     1.53797   112.40343   -46.76743
    8     7 S   O2Z  _O11     8     1.26368   114.99300   -42.73744
    9     7 S   O2Z  _O12     9     1.26239   114.94407   136.39761
   10     5 S   CT   _CB1    10     1.53102   107.42889  -168.62283
   11    10 S   HC   HB11    11     1.09826   109.35744   -50.24087
   12    10 S   HC   HB12    12     1.09816   110.41202    66.33183
   13    10 S   CT   _CG1    13     1.53008   112.65868  -171.30512
   14    13 S   HC   HG11    14     1.09594   110.48782   -64.26500
   15    13 S   HC   HG12    15     1.09657   109.91746    54.92879
   16    13 S   C    _CD1    16     1.51835   112.35772   175.32567
   17    16 S   O    _OE1    17     1.22742   123.31724     0.27340
   18    16 S   N    _N2_    18     1.38547   111.66513  -179.75371
   19    18 S   H    _HN2    19     1.01558   119.02328     4.53769
   20    18 S   CT1  _CA2    20     1.45855   122.94537   178.30973
   21    20 S   HC   _HA2    21     1.09722   108.94509    24.26598
   22    20 S   C    _C2_    22     1.52917   106.96164   -92.88135
   23    22 S   O    _O2_    23     1.22987   123.01805   -26.91274
   24    20 S   CT   _CB2    32     1.53190   112.11042   147.43192
   25    24 S   HC   HB21    33     1.09507   109.86492    55.18217
   26    24 S   HC   HB22    34     1.09520   110.25806   174.11643
   27    22 S   N    _N3_    24     1.38486   112.61578   155.84670
   28    27 S   H    _HN3    25     1.01663   120.38070    -2.21700
   29    24 S   S    _SG2    35     1.82590   111.10098   -65.71403
   30    27 S   CT   _CA3    26     1.45361   122.42388   178.57880
   31    30 S   HC   HA31    27     1.09570   107.78199   -56.09637
   32    30 S   HC   HA32    28     1.09565   107.62601    60.21871
   33    29 S   CT   _C7_    36     1.84956    99.74195  -178.21392
   34    33 S   HC   _H5_    37     1.09695   106.39843    45.91633
   35    30 S   CO3  _C3_    29     1.52877   114.37145  -178.01969
   36    35 S   O2Z  _O31    30     1.26326   116.07001    -0.84418
   37    35 S   O2Z  _O32    31     1.26439   114.40486   179.13385
   38    33 S   CM   _C8_    38     1.52273   109.61622   -74.21490
   39    38 S   CT   _C4_    39     1.51731   113.95163   -73.19012
   40    39 S   HC   _H6_    40     1.09777   108.17915    72.81574
   41    39 S   HC   _H7_    41     1.09289   112.37111  -171.05774
   42    38 S   CM   _C9_    54     1.34579   119.69108   109.75471
   43    42 S   HC   _H9_    55     1.08683   120.12740    -1.64675
   44    39 S   CT1  _C5_    42     1.53634   112.98571   -47.77569
   45    44 S   HC   _H3_    43     1.09869   107.03760   165.04073
   46    42 S   CO4  _C10    56     1.47778   125.54706   178.70563
   47    46 S   O    _O33    57     1.22647   121.44274   178.60226
   48    46 S   HC   _H10    58     1.09823   117.37114    -0.97659
   49    44 S   NT   _N4_    44     1.47563   113.28789    47.02753
   50    49 S   H    _H8_    45     1.02118   108.97227    67.93544
   51    44 S   CO3  _C12    51     1.54941   116.07707   -78.27542
   52    51 S   O2Z  _O37    52     1.26630   115.05080  -165.78277
   53    51 S   O2Z  _O36    53     1.26403   116.15865    12.52558
   54    33 S   CT1  _C6_    46     1.54164   112.91644   164.26146
   55    54 S   HC   _H4_    47     1.09940   108.96840  -173.18589
   56    54 S   CO3  _C11    48     1.54861   111.51140   -57.44827
   57    56 S   O2Z  _O35    49     1.26342   117.38956   111.58163
   58    56 S   O2Z  _O34    50     1.26777   113.94284   -68.07126
  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  13   6   5   6   3   9   6   2   1   1
   9   4   3   1   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    54    55    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    54    55    56    57    58    42    43    46  
   38    39    49    54    55    56    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    54    55    56    51    42    43    46    47    48  
   40    41    44    45    49    50    54    51    52    53    42    43    46  
   41    44    45    49    51    42  
   44    45    49    51    42  
   43    46    47    48    44    54  
   46    47    48  
   45    49    50    54    55    56    51    52    53  
   49    50    54    51    52    53  
   47    48  
   48  
    0  
   50    54    55    56    57    58    51    52    53  
   54    55    56    51  
   52    53    54  
   53  
    0  
   55    56    57    58  
   56    57    58  
   57    58  
   58  
    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   1.4250   1.2500   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.700000   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   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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    54   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    49   305.000  1.457
   44    51   317.000  1.522
   49    50   434.000  1.010
   49    54   305.000  1.457
   54    55   340.000  1.090
   54    56   317.000  1.522
   56    57   656.000  1.250
   56    58   656.000  1.250
   51    52   656.000  1.250
   51    53   656.000  1.250
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    48   340.000  1.090
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    54    75.00000  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    49    80.00000  111.22000
   33    54    55    37.50000  110.70000
   33    54    56    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  118.96000
   39    44    45    37.50000  110.70000
   39    44    49    80.00000  111.22000
   39    44    51    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    49    50    50.00000  111.55300
   44    49    54    51.80000  107.20000
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   49    44    45    50.00000  109.55000
   49    54    55    50.00000  109.55000
   49    54    56    75.00000  111.54000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    49    50    50.00000  111.55300
   54    56    57    70.00000  117.00000
   54    56    58    70.00000  117.00000
   56    54    55    35.00000  109.50000
   58    56    57    80.00000  126.00000
   51    44    45    35.00000  109.50000
   51    44    49    75.00000  111.54000
   53    51    52    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    80.00000  123.72100
   42    46    48    40.00000  115.75000
   46    42    43    40.00000  117.72500
   48    46    47    35.00000  123.00000
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    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  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    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56  -2.17200  1.0 1.0
   29    33    54    56  -0.85700 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    56    57   0.00000  1.0 1.0
   33    54    56    58   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    49   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    56  -0.03800  1.0 3.0
   38    33    54    49   0.59950  1.0 1.0
   38    33    54    49  -0.21400 -1.0 2.0
   38    33    54    49   0.56200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56  -0.98800  1.0 1.0
   38    33    54    56   0.48800 -1.0 2.0
   38    33    54    56   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    49   0.59950  1.0 1.0
   38    39   -44    49  -0.21400 -1.0 2.0
   38    39   -44    49   0.56200  1.0 3.0
   38    39    44    51  -0.98800  1.0 1.0
   38    39    44    51   0.48800 -1.0 2.0
   38    39    44    51   0.76800  1.0 3.0
   38    42    46    47   1.00000 -1.0 2.0
   38    42    46    48  -0.79650  1.0 1.0
   38    42    46    48   1.60950 -1.0 2.0
   38    42    46    48  -0.26250  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    49    50  -0.15950  1.0 1.0
   39    44    49    50   0.34650 -1.0 2.0
   39    44    49    50   0.05750  1.0 3.0
   39    44    49    54   0.23450  1.0 1.0
   39    44    49    54   0.02050 -1.0 2.0
   39    44    49    54   0.25250  1.0 3.0
   39    44    51    52   0.00000  1.0 1.0
   39    44    51    53   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    49   0.15000  1.0 3.0
   40    39    44    51  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    49   0.15000  1.0 3.0
   41    39    44    51  -0.03800  1.0 3.0
   44    49   -54    33   0.23450  1.0 1.0
   44    49   -54    33   0.02050 -1.0 2.0
   44    49   -54    33   0.25250  1.0 3.0
   44    49    54    55   0.28000  1.0 3.0
   44    49    54    56  -1.76800  1.0 1.0
   44    49    54    56   1.02600 -1.0 2.0
   44    49    54    56   0.19700  1.0 3.0
   45    44    49    50   0.20000  1.0 3.0
   45    44    49    54   0.28000  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   49    44    51    52   0.30150 -1.0 2.0
   49    44    51    53   0.30150 -1.0 2.0
   49    54    56    57   0.30150 -1.0 2.0
   49    54    56    58   0.30150 -1.0 2.0
   50    49    54    33  -0.15950  1.0 1.0
   50    49    54    33   0.34650 -1.0 2.0
   50    49    54    33   0.05750  1.0 3.0
   50    49    54    55   0.20000  1.0 3.0
   50    49    54    56   0.21900  1.0 1.0
   50    49    54    56  -0.24900 -1.0 2.0
   50    49    54    56   0.15200  1.0 3.0
   54    33   -38    39   0.46850  1.0 1.0
   54    33   -38    39   0.08550 -1.0 2.0
   54    33   -38    39   0.09800  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   51    44    49    50   0.21900  1.0 1.0
   51    44    49    50  -0.24900 -1.0 2.0
   51    44    49    50   0.15200  1.0 3.0
   51    44    49    54  -1.76800  1.0 1.0
   51    44    49    54   1.02600 -1.0 2.0
   51    44    49    54   0.19700  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.93100 -1.0 2.0
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    39    38    42   1.10000 -1.0 2.0
   57    54    56    58  10.50000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    48    46    47  10.50000 -1.0 2.0
END
