* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    110    170     322
    1     0 S   NP   _N1_     1    28.03782    96.20001   -23.55025
    2     1 S   H    _HN1     2     1.02776   105.12997  -109.98709
    3     1 S   H    _H1_     3     1.02957    80.19565    -3.48138
    4     1 S   H    _H2_     4     1.02835    29.89984   150.32009
    5     1 S   CT   _CA1     5     1.50133   134.41564   105.51700
    6     5 S   HC   _HA1     6     1.09575   105.20632    81.22310
    7     5 S   CO3  _C1_     7     1.53785   112.37615   -38.94870
    8     7 S   O2Z  _O11     8     1.26366   114.99202   -43.42459
    9     7 S   O2Z  _O12     9     1.26237   114.93459   135.64932
   10     5 S   CT   _CB1    10     1.53094   107.41943  -160.87087
   11    10 S   HC   HB11    11     1.09827   109.31978   -50.45748
   12    10 S   HC   HB12    12     1.09815   110.43297    66.10120
   13    10 S   CT   _CG1    13     1.53013   112.67068  -171.52764
   14    13 S   HC   HG11    14     1.09596   110.49098   -64.72377
   15    13 S   HC   HG12    15     1.09659   109.91293    54.47108
   16    13 S   C    _CD1    16     1.51843   112.33001   174.83123
   17    16 S   O    _OE1    17     1.22749   123.29484     0.61230
   18    16 S   N    _N2_    18     1.38535   111.68137  -179.35898
   19    18 S   H    _HN2    19     1.01554   119.05707     4.23993
   20    18 S   CT1  _CA2    20     1.45888   122.94659   178.00492
   21    20 S   HC   _HA2    21     1.09722   108.93686    24.51678
   22    20 S   C    _C2_    22     1.52918   106.83368   -92.59650
   23    22 S   O    _O2_    23     1.23000   122.99058   -28.45396
   24    20 S   CT   _CB2    32     1.53262   112.12186   147.74241
   25    24 S   HC   HB21    33     1.09444   109.60010    54.36112
   26    24 S   HC   HB22    34     1.09476   109.92634   173.11143
   27    22 S   N    _N3_    24     1.38497   112.65913   154.16451
   28    27 S   H    _HN3    25     1.01661   120.35711    -1.42958
   29    24 S   S    _SG2    35     1.83132   110.63450   -66.54029
   30    27 S   CT   _CA3    26     1.45357   122.39457   178.76362
   31    30 S   HC   HA31    27     1.09568   107.63184   -59.57226
   32    30 S   HC   HA32    28     1.09569   107.75088    56.71217
   33    29 S   CT   _C12    36     1.86008   101.67075   176.83084
   34    33 S   OM   _O35    37     1.32041   108.77358    65.05162
   35    30 S   CO3  _C3_    29     1.52876   114.44364   178.62485
   36    35 S   O2Z  _O31    30     1.26320   116.11042    -0.28255
   37    35 S   O2Z  _O32    31     1.26456   114.38972   179.73756
   38    33 S   CO4  _C11    38     1.53568   108.52161  -179.81655
   39    38 S   O    _O33    39     1.22899   123.62413    -3.75223
   40    38 S   CA   _C10    40     1.49747   117.47155   174.16813
   41    40 S   CA   _C9_    41     1.40828   118.84702   -25.72936
   42    41 S   CA   _C8_    42     1.40502   119.14607  -179.31300
   43    41 S   CO4  _C14    54     1.49128   120.58532     0.20653
   44    43 S   O    _O34    55     1.23060   120.05042   179.80820
   45    42 S   CA   _C7_    43     1.39174   120.80185     0.07402
   46    45 S   HA   _H8_    44     1.08678   120.43413   179.73020
   47    42 S   OH   _O36    52     1.36985   123.80551   179.82529
   48    47 S   HO   _H12    53     0.97374   108.84350     1.07447
   49    33 S   CT   _C13    56     1.54446   113.48128   -59.56606
   50    49 S   HC   _H3_    57     1.10066   109.38207    72.08842
   51    45 S   CA   _C6_    45     1.39062   119.90874    -0.60296
   52    51 S   HA   _H7_    46     1.08785   118.64247  -179.49332
   53    49 S   CT   _C15    58     1.53761   114.90145   -49.06516
   54    53 S   HC   _H9_    59     1.09532   111.65513   -54.34477
   55    53 S   HC   _H10    60     1.09630   110.85214  -173.58763
   56    53 S   HC   _H11    61     1.09377   111.86572    67.28888
   57    40 S   CA   _C5_    47     1.41559   120.89396   153.82350
   58    57 S   CT   _C4_    48     1.50506   123.52619    -1.53136
   59    58 S   HC   _H4_    49     1.09470   110.76085   -49.36342
   60    58 S   HC   _H5_    50     1.09425   110.39764    72.93201
   61    58 S   HC   _H6_    51     1.09580   111.44503  -167.69271
  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
  14   7   2   1   1  11   4  14  13  10  10   3   7   4   2   1
   5   4   6   2   3   2   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    49    50    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    57    43    44    49    50    53    54    55    56  
   38    39    40    43    49    50    53  
   36    37  
   37  
    0  
   39    40    41    42    51    57    58    43    49    50    53  
   40    41    57    49  
   41    42    45    51    52    57    58    59    60    61    47    43    44    49  
   42    45    46    51    57    58    47    48    43    44    49    50    53  
   45    46    51    52    57    47    48    43    44    49  
   44    49    50    53    54    55    56    45    47    57  
   49    50    53  
   46    51    52    57    58    47    48  
   51    52    57    47  
   48    51  
    0  
   50    53    54    55    56  
   53    54    55    56  
   52    57    58    59    60    61  
   57    58  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   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   570.000  1.307
   33    38   317.000  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    57   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    47   450.000  1.364
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   553.000  0.945
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    43    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    53    58.35000  112.70000
   38    33    34    90.00000  108.74100
   38    40    41    60.00000  119.52600
   38    40    57    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    57    51    63.00000  120.00000
   40    57    58    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    47    70.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    49    65.00000  115.47100
   42    45    46    35.00000  120.00000
   42    45    51    63.00000  120.00000
   42    47    48    35.00000  113.00000
   45    51    52    35.00000  120.00000
   45    51    57    63.00000  120.00000
   51    45    46    35.00000  120.00000
   51    57    58    70.00000  120.00000
   57    40    41    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    45    70.00000  120.00000
   43    41    42    60.00000  119.52600
   43    49    50    35.00000  109.50000
   43    49    53    63.00000  111.10000
   49    33    34    50.00000  109.50000
   49    33    38    63.00000  111.10000
   49    43    44    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   53    49    50    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    43   0.56750  1.0 1.0
   29    33    49    43  -0.07550 -1.0 2.0
   29    33    49    43   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.44750  1.0 1.0
   29    33    49    53  -0.17800 -1.0 2.0
   29    33    49    53   0.20200  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    57   2.26350  1.0 1.0
   33    38    40    57   0.76750 -1.0 2.0
   33    38    40    57   0.22500  1.0 3.0
   33    49    53    54   0.15000  1.0 3.0
   33    49    53    55   0.15000  1.0 3.0
   33    49    53    56   0.15000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.65300  1.0 1.0
   34    33    38    40  -0.03850 -1.0 2.0
   34    33    38    40   0.33900  1.0 3.0
   34    33    49    43  -0.09450  1.0 1.0
   34    33    49    43  -1.12950 -1.0 2.0
   34    33    49    43   0.54000  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    53   0.62750  1.0 1.0
   34    33    49    53  -0.30950 -1.0 2.0
   34    33    49    53   0.27300  1.0 3.0
   38    33    49    43   0.11950  1.0 1.0
   38    33    49    43   0.20300 -1.0 2.0
   38    33    49    43  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    53  -0.95700  1.0 1.0
   38    33    49    53  -0.18200 -1.0 2.0
   38    33    49    53   0.29450  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    57    51   3.62500 -1.0 2.0
   38    40    57    58   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    57   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    47   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    49   2.26350  1.0 1.0
   40    41    43    49   0.76750 -1.0 2.0
   40    41    43    49   0.22500  1.0 3.0
   40    57    58    59   0.00000  1.0 1.0
   40    57    58    60   0.00000  1.0 1.0
   40    57    58    61   0.00000  1.0 1.0
   41    40    57    51   3.62500 -1.0 2.0
   41    40    57    58   3.62500 -1.0 2.0
   41    42    45    46   3.62500 -1.0 2.0
   41    42   -45    51   3.62500 -1.0 2.0
   41    42    47    48   0.84100 -1.0 2.0
   41    43   -49    33   0.05850 -1.0 2.0
   41    43   -49    33   0.17250  1.0 3.0
   41    43    49    50   0.00000  1.0 1.0
   41    43    49    53   0.05850 -1.0 2.0
   41    43    49    53   0.17250  1.0 3.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    49   2.26350  1.0 1.0
   42    41    43    49   0.76750 -1.0 2.0
   42    41    43    49   0.22500  1.0 3.0
   42    45    51    52   3.62500 -1.0 2.0
   42    45    51    57   3.62500 -1.0 2.0
   45    42    47    48   0.84100 -1.0 2.0
   45    51   -57    40   3.62500 -1.0 2.0
   45    51    57    58   3.62500 -1.0 2.0
   46    45    51    52   3.62500 -1.0 2.0
   46    45    51    57   3.62500 -1.0 2.0
   51    57    58    59   0.00000  1.0 1.0
   51    57    58    60   0.00000  1.0 1.0
   51    57    58    61   0.00000  1.0 1.0
   52    51    57    40   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   57    40   -41    42   3.62500 -1.0 2.0
   57    40    41    43   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    51   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    47   3.62500 -1.0 2.0
   43    49    53    54  -0.11250  1.0 3.0
   43    49    53    55  -0.11250  1.0 3.0
   43    49    53    56  -0.11250  1.0 3.0
   44    43    49    33   0.30150 -1.0 2.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    53   0.30150 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.05850 -1.0 2.0
   49    33   -38    40   0.17250  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   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
   33    40    38    39  10.50000 -1.0 2.0
   41    57    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    47    42    41   4.00000 -1.0 2.0
   51    46    45    42   1.10000 -1.0 2.0
   57    52    51    45   1.10000 -1.0 2.0
   51    58    57    40   4.00000 -1.0 2.0
   41    49    43    44  10.50000 -1.0 2.0
END
