* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    144    229     426
    1     0 S   NP   _N1_     1    28.88575    96.53799   -20.08082
    2     1 S   H    _HN1     2     1.02796    82.64764  -104.05117
    3     1 S   H    _H1_     3     1.02964    79.93990     6.11875
    4     1 S   H    _H2_     4     1.02853    45.60153   132.03487
    5     1 S   CT   _CA1     5     1.50085   156.22243   124.85220
    6     5 S   HC   _HA1     6     1.09521   105.39398    64.95971
    7     5 S   CO3  _C1_     7     1.53919   112.62680   -55.95418
    8     7 S   O2Z  _O11     8     1.26357   115.22507   -33.26647
    9     7 S   O2Z  _O12     9     1.26331   115.51186   147.34724
   10     5 S   CT   _CB1    10     1.53278   107.61120  -176.05722
   11    10 S   HC   HB11    11     1.09810   110.32090   -40.34149
   12    10 S   HC   HB12    12     1.09827   109.89935    76.41673
   13    10 S   CT   _CG1    13     1.53080   112.50889  -161.06897
   14    13 S   HC   HG11    14     1.09449   110.84047   -49.78173
   15    13 S   HC   HG12    15     1.09635   109.86872    69.10216
   16    13 S   C    _CD1    16     1.51803   112.46094  -170.09772
   17    16 S   O    _OE1    17     1.22677   123.31047    -5.79112
   18    16 S   N    _N2_    18     1.38590   111.51205   173.68354
   19    18 S   H    _HN2    19     1.01580   119.01206     4.07641
   20    18 S   CT1  _CA2    20     1.46250   123.55994  -176.88096
   21    20 S   HC   _HA2    21     1.09719   109.55667    -7.32435
   22    20 S   C    _C2_    22     1.53381   108.25970  -123.18269
   23    22 S   O    _O2_    23     1.23004   122.23399  -143.68807
   24    20 S   CT   _CB2    32     1.53418   110.97991   114.73961
   25    24 S   HC   HB21    33     1.09565   109.56561    55.13616
   26    24 S   HC   HB22    34     1.09504   110.69626   173.70537
   27    22 S   N    _N3_    24     1.38502   113.36839    43.47142
   28    27 S   H    _HN3    25     1.01512   119.00466    -0.20748
   29    24 S   S    _SG2    35     1.83121   111.62173   -67.01431
   30    27 S   CT   _CA3    26     1.45464   123.42180   175.24688
   31    30 S   HC   HA31    27     1.09522   109.25267    24.13866
   32    30 S   HC   HA32    28     1.09495   107.11342   141.14948
   33    29 S   CT   _C16    36     1.85778   100.36437   140.32269
   34    33 S   HC   _H4_    37     1.09515   104.98637   -46.86181
   35    30 S   CO3  _C3_    29     1.52928   113.11711   -99.34907
   36    35 S   O2Z  _O31    30     1.26402   115.40576   -44.16317
   37    35 S   O2Z  _O32    31     1.26357   114.97930   136.77088
   38    33 S   CT   _C17    38     1.53674   108.72929    68.53245
   39    38 S   HC   _H18    39     1.09538   111.55398   -53.15548
   40    38 S   HC   _H19    40     1.09532   110.69667  -171.52564
   41    38 S   CO4  _C18    41     1.51331   111.63383    68.48797
   42    41 S   O    _O35    42     1.23113   121.10090  -151.77852
   43    41 S   CT   _C19    43     1.51281   117.72352    28.04345
   44    43 S   HC   _H20    44     1.09622   107.37519   147.26602
   45    43 S   HC   _H21    45     1.09391   108.70893   -95.43019
   46    43 S   CT   _C11    46     1.52444   111.37425    27.15691
   47    46 S   HC   _H3_    47     1.09899   108.03202  -178.70714
   48    33 S   CT   _C12    48     1.57473   114.36733  -165.51771
   49    46 S   OS   _O34    57     1.45061   107.10756    67.89150
   50    48 S   CR3  _C9_    49     1.51024   110.68047   159.99281
   51    48 S   CT   _C13    72     1.55380   116.14570    34.00916
   52    51 S   HC   _H10    73     1.09768   108.79586   -68.39193
   53    51 S   HC   _H11    74     1.10005   109.58063   177.50048
   54    50 S   CA   _C8_    50     1.39147   129.66926   -75.02795
   55    54 S   CA   _C7_    51     1.40489   117.64230   177.61805
   56    55 S   HA   _H9_    52     1.08861   120.18803  -179.35109
   57    54 S   CT   _C15    63     1.49738   122.46966    -2.42220
   58    57 S   HC   _H16    64     1.09481   111.82486    67.90257
   59    57 S   HC   _H17    65     1.09590   110.42813  -172.74277
   60    55 S   CA   _C6_    53     1.40494   121.53230     0.91707
   61    60 S   HA   _H8_    54     1.08588   117.73189   180.00000
   62    57 S   NP   _N4_    66     1.49261   113.76123   -55.05438
   63    62 S   H    _H14    67     1.03405   107.12942  -161.79804
   64    62 S   H    _H15    68     1.02938   110.19408   -48.39999
   65    60 S   CA   _C5_    55     1.39374   120.42490     0.35991
   66    62 S   CT   _C14    69     1.48883   116.45625    78.27934
   67    66 S   HC   _H12    70     1.09494   105.60025   168.99182
   68    66 S   HC   _H13    71     1.09064   107.29797    53.98905
   69    50 S   CA   _C10    56     1.39057   110.24836   104.83932
   70    65 S   OS   _O33    58     1.36539   126.19818   179.56165
   71    70 S   CT   _C4_    59     1.42253   116.82015     0.44499
   72    71 S   HC   _H5_    60     1.09427   107.76445   179.77100
   73    71 S   HC   _H6_    61     1.09504   111.13827    61.98488
   74    71 S   HC   _H7_    62     1.09502   111.12272   -62.45525
  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  10   5   4   3
  18   8   2   1   1  11   5   4   8   4   9   5   4  11   5  14
   7  15  11   5   4  13  10   4  10   5   4   5   3   5   4   3
   6   2   1   1   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    48    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    50    54    69    49    66    51    52    53  
   38    39    40    41    46    48    50    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    48    50    51  
   40    41    42    43    48  
   41    42    43    48  
   42    43    44    45    46    47    48    49  
   43    44    45    46  
   44    45    46    47    48    50    69    49    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    50    54    65    69    49    66    51    52    53  
   48    50    69    49    51  
   50    54    55    65    69    49    57    62    66    67    68    51    52    53  
   70    51    50    54    60    65    69  
   54    55    56    60    65    69    70    57    58    59    62    66    51    52    53  
   52    53    54    57    62    63    64    66    67    68    69  
   53    62    66    67    68  
   62    66    67    68  
   55    56    60    61    65    69    57    58    59    62    63    64    66  
   56    60    61    65    69    70    57    58    59    62  
   60    61    65    57  
   58    59    62    63    64    66    67    68    60    69  
   59    62    63    64    66  
   62    63    64    66  
   61    65    69    70    71  
   65    69    70  
   63    64    66    67    68  
   64    66    67    68  
   66    67    68  
   69    70    71    72    73    74  
   67    68  
   68  
    0  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.285000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   63   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    50   317.000  1.510
   48    51   268.000  1.529
   50    54   490.000  1.398
   50    69   490.000  1.398
   54    55   469.000  1.400
   54    57   317.000  1.510
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    69   469.000  1.400
   65    70   450.000  1.364
   69    49   450.000  1.364
   70    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   367.000  1.471
   62    63   434.000  1.010
   62    64   434.000  1.010
   62    66   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    51   268.000  1.529
   51    52   340.000  1.090
   51    53   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  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    48    46    58.35000  112.70000
   33    48    50    70.00000  112.17500
   33    48    51    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    49    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    50    70.00000  112.17500
   46    48    51    58.35000  112.70000
   46    49    69    75.00000  111.00000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    50    54    70.00000  120.00000
   48    50    69    70.00000  120.00000
   48    51    66    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   50    54    55    70.00000  112.88000
   50    54    57    80.00000  105.07000
   50    69    65    70.00000  112.88000
   50    69    49    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    60    63.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    75.00000  110.83300
   55    60    61    35.00000  120.00000
   55    60    65    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    65    69    63.00000  120.00000
   60    65    70    70.00000  120.00000
   65    60    61    35.00000  120.00000
   65    69    49    70.00000  120.00000
   65    70    71    75.00000  111.00000
   69    50    54    60.00000  130.80000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   70    65    69    70.00000  120.00000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    54    55    70.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    66    75.00000  113.01200
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    51    80.00000  111.20000
   64    62    63    35.00000  109.50000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    51    52    37.50000  110.70000
   66    51    53    37.50000  110.70000
   68    66    67    33.00000  107.80000
   51    48    50    70.00000  112.17500
   51    66    67    37.50000  110.70000
   51    66    68    37.50000  110.70000
   53    51    52    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   0.32350  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    50   0.56750  1.0 1.0
   29    33    48    50  -0.07550 -1.0 2.0
   29    33    48    50   0.20000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    48    50    54   0.04150 -1.0 2.0
   33    48    50    69   0.04150 -1.0 2.0
   33    48    51    66   0.56750  1.0 1.0
   33    48    51    66  -0.07550 -1.0 2.0
   33    48    51    66   0.20000  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    48    46   0.15000  1.0 3.0
   34    33    48    50   0.43200  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33    48    46   0.56750  1.0 1.0
   38    33    48    46  -0.07550 -1.0 2.0
   38    33    48    46   0.20000  1.0 3.0
   38    33    48    50  -0.03700  1.0 1.0
   38    33    48    50   0.37200 -1.0 2.0
   38    33    48    50  -0.47300  1.0 3.0
   38    33    48    51   0.56750  1.0 1.0
   38    33    48    51  -0.07550 -1.0 2.0
   38    33    48    51   0.20000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.95700  1.0 1.0
   41    43    46    48  -0.18200 -1.0 2.0
   41    43    46    48   0.29450  1.0 3.0
   41    43    46    49  -0.09450  1.0 1.0
   41    43    46    49  -1.12950 -1.0 2.0
   41    43    46    49   0.54000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -48    33   0.56750  1.0 1.0
   43    46   -48    33  -0.07550 -1.0 2.0
   43    46   -48    33   0.20000  1.0 3.0
   43    46    48    50  -0.03700  1.0 1.0
   43    46    48    50   0.37200 -1.0 2.0
   43    46    48    50  -0.47300  1.0 3.0
   43    46    48    51   0.56750  1.0 1.0
   43    46    48    51  -0.07550 -1.0 2.0
   43    46    48    51   0.20000  1.0 3.0
   43    46    49    69  -0.32850  1.0 1.0
   43    46    49    69  -0.35800 -1.0 2.0
   43    46    49    69   0.33950  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.23400  1.0 3.0
   46    48    50    54   0.04150 -1.0 2.0
   46    48   -50    69   0.04150 -1.0 2.0
   46    48    51    66   0.56750  1.0 1.0
   46    48    51    66  -0.07550 -1.0 2.0
   46    48    51    66   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    49    69   0.08050  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41  -0.95700  1.0 1.0
   48    33   -38    41  -0.18200 -1.0 2.0
   48    33   -38    41   0.29450  1.0 3.0
   48    46   -49    69  -0.32850  1.0 1.0
   48    46   -49    69  -0.35800 -1.0 2.0
   48    46   -49    69   0.33950  1.0 3.0
   48    50    54    55   3.62500 -1.0 2.0
   48    50    54    57   3.62500 -1.0 2.0
   48    50    69    65   3.62500 -1.0 2.0
   48    50   -69    49   3.62500 -1.0 2.0
   50    48    51    66  -0.03700  1.0 1.0
   50    48    51    66   0.37200 -1.0 2.0
   50    48    51    66  -0.47300  1.0 3.0
   50    48    51    52   0.43200  1.0 3.0
   50    48    51    53   0.43200  1.0 3.0
   50    54    55    56   3.62500 -1.0 2.0
   50    54    55    60   3.62500 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    62  -0.46400 -1.0 2.0
   50    69   -49    46   1.63200 -1.0 2.0
   54    50    69    65   3.62500 -1.0 2.0
   54    50    69    49   3.62500 -1.0 2.0
   54    55    60    61   3.62500 -1.0 2.0
   54    55   -60    65   3.62500 -1.0 2.0
   54    57    62    63   0.17350  1.0 3.0
   54    57    62    64   0.17350  1.0 3.0
   54    57    62    66   0.03550  1.0 1.0
   54    57    62    66   0.09800 -1.0 2.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    62  -0.46400 -1.0 2.0
   55    60    65    69   3.62500 -1.0 2.0
   55    60    65    70   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    65   3.62500 -1.0 2.0
   60    65   -69    50   3.62500 -1.0 2.0
   60    65    69    49   3.62500 -1.0 2.0
   60    65    70    71   1.63200 -1.0 2.0
   61    60    65    69   3.62500 -1.0 2.0
   61    60    65    70   3.62500 -1.0 2.0
   65    69    49    46   1.63200 -1.0 2.0
   65    70    71    72   0.08050  1.0 3.0
   65    70    71    73   0.08050  1.0 3.0
   65    70    71    74   0.08050  1.0 3.0
   69    50   -54    55   3.62500 -1.0 2.0
   69    50    54    57   3.62500 -1.0 2.0
   69    65    70    71   1.63200 -1.0 2.0
   49    46    48    33   0.62750  1.0 1.0
   49    46    48    33  -0.30950 -1.0 2.0
   49    46    48    33   0.27300  1.0 3.0
   49    46   -48    50  -0.64350  1.0 1.0
   49    46   -48    50  -0.04200 -1.0 2.0
   49    46   -48    50   0.19800  1.0 3.0
   49    46    48    51   0.62750  1.0 1.0
   49    46    48    51  -0.30950 -1.0 2.0
   49    46    48    51   0.27300  1.0 3.0
   70    65    69    50   3.62500 -1.0 2.0
   70    65    69    49   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    60   3.62500 -1.0 2.0
   57    62    66    67   0.15000  1.0 3.0
   57    62    66    68   0.15000  1.0 3.0
   57    62    66    51   0.47100  1.0 1.0
   58    57    62    63   0.13050  1.0 3.0
   58    57    62    64   0.13050  1.0 3.0
   58    57    62    66   0.15000  1.0 3.0
   59    57    62    63   0.13050  1.0 3.0
   59    57    62    64   0.13050  1.0 3.0
   59    57    62    66   0.15000  1.0 3.0
   62    66    51    48   1.36600  1.0 1.0
   62    66    51    48  -0.11450 -1.0 2.0
   62    66    51    48   0.24250  1.0 3.0
   62    66    51    52   0.19200  1.0 3.0
   62    66    51    53   0.19200  1.0 3.0
   63    62    66    67   0.13050  1.0 3.0
   63    62    66    68   0.13050  1.0 3.0
   63    62    66    51   0.17350  1.0 3.0
   64    62    66    67   0.13050  1.0 3.0
   64    62    66    68   0.13050  1.0 3.0
   64    62    66    51   0.17350  1.0 3.0
   67    66    51    48   0.15000  1.0 3.0
   67    66    51    52   0.15000  1.0 3.0
   67    66    51    53   0.15000  1.0 3.0
   68    66    51    48   0.15000  1.0 3.0
   68    66    51    52   0.15000  1.0 3.0
   68    66    51    53   0.15000  1.0 3.0
   51    48    50    54   0.04150 -1.0 2.0
   51    48    50    69   0.04150 -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
   38    43    41    42  10.50000 -1.0 2.0
   54    69    50    48   4.00000 -1.0 2.0
   55    57    54    50   4.00000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   65    61    60    55   1.10000 -1.0 2.0
   69    70    65    60   4.00000 -1.0 2.0
   65    49    69    50   4.00000 -1.0 2.0
END
