* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    104    153     304
    1     0 S   NP   _N1_     1    29.06188    94.02119   -22.53434
    2     1 S   H    _HN1     2     1.02960    88.02350    18.59547
    3     1 S   H    _H1_     3     1.02838    24.91594   158.94008
    4     1 S   H    _H2_     4     1.02779    99.88610   -89.66826
    5     1 S   CT   _CA1     5     1.50111   134.13599   135.50422
    6     5 S   HC   _HA1     6     1.09575   105.23282    69.42265
    7     5 S   CO3  _C1_     7     1.53776   112.39401   -50.80296
    8     7 S   O2Z  _O11     8     1.26357   114.99936   -43.96634
    9     7 S   O2Z  _O12     9     1.26237   114.91487   135.22574
   10     5 S   CT   _CB1    10     1.53096   107.45015  -172.65880
   11    10 S   HC   HB11    11     1.09826   109.32526   -50.83435
   12    10 S   HC   HB12    12     1.09820   110.42754    65.71419
   13    10 S   CT   _CG1    13     1.53021   112.67154  -171.92839
   14    13 S   HC   HG11    14     1.09593   110.47154   -64.09752
   15    13 S   HC   HG12    15     1.09653   109.96319    55.14170
   16    13 S   C    _CD1    16     1.51798   112.29982   175.49333
   17    16 S   O    _OE1    17     1.22736   123.25283    -0.93041
   18    16 S   N    _N2_    18     1.38659   111.67990   179.21366
   19    18 S   H    _HN2    19     1.01590   119.01477     1.69096
   20    18 S   CT1  _CA2    20     1.46082   123.40291   179.37286
   21    20 S   HC   _HA2    21     1.09554   109.29696    -2.26555
   22    20 S   C    _C2_    22     1.53487   108.82397  -117.23754
   23    22 S   O    _O2_    23     1.23035   122.12166  -146.29538
   24    20 S   CT   _CB2    32     1.53342   111.69000   120.14944
   25    24 S   HC   HB21    33     1.09663   109.61876    61.24424
   26    24 S   HC   HB22    34     1.09555   110.87211   178.29017
   27    22 S   N    _N3_    24     1.38471   113.52931    41.31513
   28    27 S   H    _HN3    25     1.01485   119.01267    -0.86976
   29    24 S   S    _SG2    35     1.83082   114.99585   -58.65671
   30    27 S   CT   _CA3    26     1.45450   123.45955   174.37803
   31    30 S   HC   HA31    27     1.09519   109.27953    24.12744
   32    30 S   HC   HA32    28     1.09493   107.13052   141.19613
   33    29 S   CT   _C9_    36     1.83071   100.39055   -60.44401
   34    33 S   HC   _H4_    37     1.09197   107.08491    69.41110
   35    30 S   CO3  _C3_    29     1.52944   113.02500   -99.32835
   36    35 S   O2Z  _O31    30     1.26410   115.40075   -43.78535
   37    35 S   O2Z  _O32    31     1.26348   114.98470   137.08782
   38    33 S   CT   _C8_    38     1.52847   108.99173  -170.78232
   39    38 S   HC   _H8_    39     1.09841   110.90526   -54.09756
   40    38 S   HC   _H9_    40     1.09975   108.75165    63.41633
   41    38 S   CT   _C7_    41     1.53831   112.01711  -177.02968
   42    41 S   CO4  _C6_    42     1.53137   110.67181   -45.21278
   43    42 S   O    _O33    43     1.23396   121.66600  -155.07251
   44    41 S   CT   _C10    51     1.53416   109.53274  -166.96387
   45    44 S   HC   _H10    52     1.09622   111.41180   -57.05184
   46    44 S   HC   _H11    53     1.09677   111.86840  -177.62628
   47    44 S   HC   _H12    54     1.09639   110.92746    63.17058
   48    41 S   NT   _N4_    55     1.46696   111.13447    73.92724
   49    48 S   H    _H13    56     1.01754   111.52945   -60.40882
   50    48 S   H    _H14    57     1.01991   110.14191  -178.75730
   51    42 S   CT   _C5_    44     1.52849   118.13268    30.16061
   52    51 S   HC   _H3_    45     1.09687   105.84189  -146.56213
   53    33 S   OS   _O34    46     1.42441   110.93230   -51.41323
   54    51 S   CT   _C4_    47     1.52360   111.43624    96.74737
   55    54 S   HC   _H5_    48     1.09364   112.16508   -64.63220
   56    54 S   HC   _H6_    49     1.09527   110.32409   176.58413
   57    54 S   HC   _H7_    50     1.09471   111.13516    55.90354
  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   8   5   4   3
  12   6   2   1   1  14   6   5  13  15   6   7   3   2   1   3
   1   1   6   5   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    51    52    53    54    44    48  
   38    39    40    41    51    53  
   36    37  
   37  
    0  
   39    40    41    42    43    51    53    44    45    46    47    48    49    50  
   40    41    42    53    44    48  
   41    42    53    44    48  
   42    43    51    52    53    54    44    45    46    47    48    49    50  
   43    51    52    53    54    55    56    57    44    45    46    47    48    49    50  
   51    52    53    54    44    48  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50  
    0  
   52    53    54    55    56    57  
   53    54    55    56    57  
   54    55    56    57  
   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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.231300   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.523200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.291300   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.3000   0.1700  -1.020600   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    53   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.522
   41    44   268.000  1.529
   41    48   382.000  1.448
   42    43   570.000  1.229
   42    51   317.000  1.522
   51    52   340.000  1.090
   51    53   320.000  1.410
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   434.000  1.010
   48    50   434.000  1.010
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  111.63000
   29    33    53    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    51    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    63.00000  111.10000
   38    41    44    58.35000  112.70000
   38    41    48    56.20000  109.47000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    80.00000  120.40000
   41    42    51    70.00000  116.00000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   42    51    52    35.00000  109.50000
   42    51    53    90.00000  108.74100
   42    51    54    63.00000  111.10000
   51    42    43    80.00000  120.40000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   53    33    34    35.00000  109.50000
   53    33    38    50.00000  109.50000
   53    51    52    35.00000  109.50000
   54    51    52    37.50000  110.70000
   54    51    53    50.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   44    41    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    42    75.00000  112.82000
   48    41    44    56.20000  109.47000
   50    48    49    43.60000  106.40000
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    53   0.13850  1.0 1.0
   24    29    33    53  -1.34450 -1.0 2.0
   24    29    33    53   0.57400  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    51   0.14700  1.0 1.0
   29    33    53    51  -1.16150 -1.0 2.0
   29    33    53    51   0.48700  1.0 3.0
   33    38    41    42  -0.95700  1.0 1.0
   33    38    41    42  -0.18200 -1.0 2.0
   33    38    41    42   0.29450  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    38    41    48   1.85550  1.0 1.0
   33    38    41    48  -0.84100 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    53    51   0.37050  1.0 3.0
   38    33    53    51   0.06250  1.0 1.0
   38    33    53    51  -0.01100 -1.0 2.0
   38    33    53    51   0.28050  1.0 3.0
   38    41    42    43   0.30150 -1.0 2.0
   38    41   -42    51   0.60050  1.0 1.0
   38    41   -42    51   0.05600 -1.0 2.0
   38    41   -42    51   0.26150  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   38    41    48    49  -0.05950  1.0 1.0
   38    41    48    49   0.08850 -1.0 2.0
   38    41    48    49   0.11750  1.0 3.0
   38    41    48    50  -0.05950  1.0 1.0
   38    41    48    50   0.08850 -1.0 2.0
   38    41    48    50   0.11750  1.0 3.0
   39    38    41    42  -0.11250  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    48   0.15000  1.0 3.0
   40    38    41    42  -0.11250  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    48   0.15000  1.0 3.0
   41    42    51    52   0.00000  1.0 1.0
   41    42    51    53   0.55300  1.0 1.0
   41    42    51    53   1.25850 -1.0 2.0
   41    42    51    53  -0.23600  1.0 3.0
   41    42    51    54   0.60050  1.0 1.0
   41    42    51    54   0.05600 -1.0 2.0
   41    42    51    54   0.26150  1.0 3.0
   42    41    44    45  -0.11250  1.0 3.0
   42    41    44    46  -0.11250  1.0 3.0
   42    41    44    47  -0.11250  1.0 3.0
   42    41    48    49   0.21900  1.0 1.0
   42    41    48    49  -0.24900 -1.0 2.0
   42    41    48    49   0.15200  1.0 3.0
   42    41    48    50   0.21900  1.0 1.0
   42    41    48    50  -0.24900 -1.0 2.0
   42    41    48    50   0.15200  1.0 3.0
   42    51   -53    33  -1.11000  1.0 1.0
   42    51   -53    33   0.50250 -1.0 2.0
   42    51   -53    33   0.47450  1.0 3.0
   42    51    54    55  -0.11250  1.0 3.0
   42    51    54    56  -0.11250  1.0 3.0
   42    51    54    57  -0.11250  1.0 3.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53   0.30150 -1.0 2.0
   43    42    51    54   0.30150 -1.0 2.0
   52    51    53    33   0.37050  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    33    38    39   0.23400  1.0 3.0
   53    33    38    40   0.23400  1.0 3.0
   53    33   -38    41   0.62750  1.0 1.0
   53    33   -38    41  -0.30950 -1.0 2.0
   53    33   -38    41   0.27300  1.0 3.0
   53    51    54    55   0.23400  1.0 3.0
   53    51    54    56   0.23400  1.0 3.0
   53    51    54    57   0.23400  1.0 3.0
   54    51    53    33   0.06250  1.0 1.0
   54    51    53    33  -0.01100 -1.0 2.0
   54    51    53    33   0.28050  1.0 3.0
   44    41    42    43   0.30150 -1.0 2.0
   44    41    42    51   0.60050  1.0 1.0
   44    41    42    51   0.05600 -1.0 2.0
   44    41    42    51   0.26150  1.0 3.0
   44    41    48    49  -0.05950  1.0 1.0
   44    41    48    49   0.08850 -1.0 2.0
   44    41    48    49   0.11750  1.0 3.0
   44    41    48    50  -0.05950  1.0 1.0
   44    41    48    50   0.08850 -1.0 2.0
   44    41    48    50   0.11750  1.0 3.0
   48    41    42    43   0.30150 -1.0 2.0
   48    41    42    51  -0.05600  1.0 1.0
   48    41    42    51   0.24350 -1.0 2.0
   48    41    42    51   1.01150  1.0 3.0
   48    41    44    45   0.15000  1.0 3.0
   48    41    44    46   0.15000  1.0 3.0
   48    41    44    47   0.15000  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
   41    51    42    43  10.50000 -1.0 2.0
END
