* LIGAND DATABASE FILE (OPLS2005)
*
001      57    56     96    139     280
    1     0 S   NP   _N1_     1    28.81396    94.49469   -20.98490
    2     1 S   H    _HN1     2     1.02967    91.90291    33.75697
    3     1 S   H    _H1_     3     1.02835    29.98458   155.63177
    4     1 S   H    _H2_     4     1.02777    89.19656   -74.58074
    5     1 S   CT   _CA1     5     1.50133   140.67501   159.88460
    6     5 S   HC   _HA1     6     1.09574   105.22745    56.79001
    7     5 S   CO3  _C1_     7     1.53794   112.44612   -63.36951
    8     7 S   O2Z  _O11     8     1.26343   114.99568   -41.45066
    9     7 S   O2Z  _O12     9     1.26238   114.95219   137.75920
   10     5 S   CT   _CB1    10     1.53103   107.41012   174.70576
   11    10 S   HC   HB11    11     1.09815   109.29466   -50.70786
   12    10 S   HC   HB12    12     1.09824   110.41096    65.84783
   13    10 S   CT   _CG1    13     1.52974   112.69036  -171.89766
   14    13 S   HC   HG11    14     1.09527   110.30093   -63.11955
   15    13 S   HC   HG12    15     1.09642   110.12202    55.98863
   16    13 S   C    _CD1    16     1.51796   112.35757   176.11345
   17    16 S   O    _OE1    17     1.22716   123.22088   -10.98498
   18    16 S   N    _N2_    18     1.38578   111.60996   169.99518
   19    18 S   H    _HN2    19     1.01595   119.01113     0.22555
   20    18 S   CT1  _CA2    20     1.46243   123.53690  -179.54072
   21    20 S   HC   _HA2    21     1.09729   109.43779   -11.90057
   22    20 S   C    _C2_    22     1.53439   108.24749  -127.54092
   23    22 S   O    _O2_    23     1.23010   122.30173  -145.96783
   24    20 S   CT   _CB2    32     1.53319   111.14717   110.30512
   25    24 S   HC   HB21    33     1.09527   109.64446    54.19581
   26    24 S   HC   HB22    34     1.09505   110.82861   172.59599
   27    22 S   N    _N3_    24     1.38534   113.35557    41.45349
   28    27 S   H    _HN3    25     1.01522   118.89781    -0.67289
   29    24 S   S    _SG2    35     1.82854   111.60311   -68.32499
   30    27 S   CT   _CA3    26     1.45448   123.48187   175.10347
   31    30 S   HC   HA31    27     1.09520   109.27202    23.72204
   32    30 S   HC   HA32    28     1.09496   107.11244   140.73340
   33    29 S   CT   _C6_    36     1.84154    99.66565   144.62788
   34    33 S   HC   _H3_    37     1.09704   107.98948    37.63805
   35    30 S   CO3  _C3_    29     1.52922   113.09536   -99.77952
   36    35 S   O2Z  _O31    30     1.26404   115.40275   -44.44427
   37    35 S   O2Z  _O32    31     1.26355   114.98546   136.48992
   38    33 S   CO4  _C5_    38     1.52299   107.30806   -78.23433
   39    38 S   O    _O34    39     1.22635   123.11917   109.13093
   40    33 S   CT   _C7_    45     1.54183   111.42730   158.25529
   41    40 S   HC   _H4_    46     1.09465   109.34501    56.71797
   42    38 S   OS   _O33    40     1.36403   111.53453   -69.94266
   43    40 S   CM   _C8_    47     1.51806   110.72536   179.41987
   44    43 S   HC   _H8_    48     1.09120   114.80296    64.98705
   45    40 S   CO3  _C11    55     1.54856   112.86722   -63.74335
   46    45 S   O2Z  _O39    56     1.26480   116.15719   -38.00680
   47    45 S   O2Z  _O38    57     1.26518   114.85616   142.03673
   48    42 S   CT   _C4_    41     1.43020   115.56158  -178.46087
   49    48 S   HC   _H5_    42     1.09305   108.07540  -178.70517
   50    48 S   HC   _H6_    43     1.09410   110.14382    62.67266
   51    48 S   HC   _H7_    44     1.09378   110.44963   -59.85653
   52    43 S   CM   _C9_    49     1.34022   128.67212  -112.51466
   53    52 S   CO3  _C10    50     1.54910   126.13024    -1.11224
   54    53 S   O2Z  _O36    51     1.26746   113.78459   139.11826
   55    53 S   O2Z  _O35    52     1.26106   116.72440   -43.65460
   56    52 S   OH   _O37    53     1.38853   118.93627   176.27033
   57    56 S   HO   _H9_    54     0.97494   106.31492  -171.56085
  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
  13   7   2   1   1  10   3  10   6   4  10   4   3   1   1   3
   2   1   1   5   4   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    40    41    43    44    52    45    46    47  
   38    39    42    40    41    43    45  
   36    37  
   37  
    0  
   39    42    48    49    50    51    40    41    43    45  
   42    48    40  
   41    43    44    52    53    56    45    46    47    42  
   43    44    52    45    46    47  
   48    49    50    51  
   44    52    53    54    55    56    57    45    46    47  
   52    53    56    45  
   46    47    52  
   47  
    0  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57  
   54    55    56    57  
   55    56  
   56  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   214.000  1.327
   42    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    45   317.000  1.522
   43    44   340.000  1.080
   43    52   549.000  1.340
   52    53   230.000  1.545
   52    56   510.000  1.338
   53    54   656.000  1.250
   53    55   656.000  1.250
   56    57   553.000  0.945
   45    46   656.000  1.250
   45    47   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    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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    81.00000  111.40000
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   33    40    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    48    83.00000  116.90000
   42    38    39    83.00000  123.40000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    43    44    35.00000  117.00000
   40    43    52    70.00000  124.00000
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   43    40    41    35.00000  109.50000
   43    52    53    55.00000  124.75400
   43    52    56    80.00000  121.38400
   52    43    44    35.00000  120.00000
   52    53    54    85.00000  113.83300
   52    53    55    85.00000  113.83300
   52    56    57    70.00000  107.45700
   55    53    54    80.00000  126.00000
   56    52    53    80.00000  119.00000
   45    40    41    35.00000  109.50000
   45    40    43    65.00000  111.94000
   47    45    46    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.40000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    42    48   1.63150  1.0 1.0
   33    38    42    48   2.92000 -1.0 2.0
   33    40    43    44   0.00000  1.0 1.0
   33    40    43    52   0.09850  1.0 1.0
   33    40    43    52   0.15250 -1.0 2.0
   33    40    43    52  -0.50650  1.0 3.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    33    40    45  -0.30950  1.0 1.0
   38    33    40    45   1.11150 -1.0 2.0
   38    33    40    45   0.40350  1.0 3.0
   38    42    48    49   0.08050  1.0 3.0
   38    42    48    50   0.08050  1.0 3.0
   38    42    48    51   0.08050  1.0 3.0
   39    38    42    48   3.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   0.36750  1.0 3.0
   40    43    52    53   7.00000 -1.0 2.0
   40    43    52    56   7.00000 -1.0 2.0
   41    40    43    44   0.33100  1.0 3.0
   41    40    43    52   0.00000  1.0 1.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   43    40    45    46   0.30150 -1.0 2.0
   43    40    45    47   0.30150 -1.0 2.0
   43    52    53    54  -0.04000 -1.0 2.0
   43    52    53    54  -0.29050  1.0 3.0
   43    52    53    55  -0.04000 -1.0 2.0
   43    52    53    55  -0.29050  1.0 3.0
   43    52    56    57  -0.66100  1.0 1.0
   43    52    56    57   1.20850 -1.0 2.0
   43    52    56    57  -0.36000  1.0 3.0
   44    43    52    53   7.00000 -1.0 2.0
   44    43    52    56   7.00000 -1.0 2.0
   53    52    56    57   2.00000 -1.0 2.0
   56    52    53    54   1.68800 -1.0 2.0
   56    52    53    55   1.68800 -1.0 2.0
   45    40    43    44   0.00000  1.0 1.0
   45    40    43    52  -0.51250  1.0 1.0
   45    40    43    52  -0.88800 -1.0 2.0
   45    40    43    52   0.08850  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   40    44    43    52  15.00000 -1.0 2.0
   53    56    52    43  15.00000 -1.0 2.0
   54    52    53    55  10.50000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
