* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    119    195     356
    1     0 S   NP   _N1_     1    28.87590    95.88122   -21.55925
    2     1 S   H    _HN1     2     1.02948    76.43837    36.28890
    3     1 S   H    _H1_     3     1.02824    38.95214   177.07812
    4     1 S   H    _H2_     4     1.02770    95.80726   -71.32467
    5     1 S   CT   _CA1     5     1.50262   145.83394   142.56530
    6     5 S   HC   _HA1     6     1.09582   104.98346    81.75935
    7     5 S   CO3  _C1_     7     1.53788   112.67113   -37.78255
    8     7 S   O2Z  _O11     8     1.26391   114.98541   -30.92575
    9     7 S   O2Z  _O12     9     1.26253   115.06316   147.88337
   10     5 S   CT   _CB1    10     1.53114   107.27305  -160.45811
   11    10 S   HC   HB11    11     1.09821   108.97721   -48.16465
   12    10 S   HC   HB12    12     1.09819   110.47636    68.31456
   13    10 S   CT   _CG1    13     1.53011   112.93302  -169.29163
   14    13 S   HC   HG11    14     1.09492   110.46016   -71.64355
   15    13 S   HC   HG12    15     1.09682   109.91032    47.53280
   16    13 S   C    _CD1    16     1.51874   112.42087   167.47541
   17    16 S   O    _OE1    17     1.22730   123.31524     2.40697
   18    16 S   N    _N2_    18     1.38678   111.68670  -176.88052
   19    18 S   H    _HN2    19     1.01602   118.89999    -1.15927
   20    18 S   CT1  _CA2    20     1.46266   123.30741   175.66361
   21    20 S   HC   _HA2    21     1.09755   109.24929   -11.87421
   22    20 S   C    _C2_    22     1.53416   108.07612  -127.04720
   23    22 S   O    _O2_    23     1.23016   122.46915  -146.51025
   24    20 S   CT   _CB2    32     1.53256   111.87136   110.44768
   25    24 S   HC   HB21    33     1.09434   110.19322    56.21991
   26    24 S   HC   HB22    34     1.09533   110.46133   174.15454
   27    22 S   N    _N3_    24     1.38397   113.36446    40.95217
   28    27 S   H    _HN3    25     1.01651   119.49481    -3.69279
   29    24 S   S    _SG2    35     1.82685   111.31379   -67.48420
   30    27 S   CT   _CA3    26     1.45291   123.11887   176.88687
   31    30 S   HC   HA31    27     1.09553   107.56283   -62.65475
   32    30 S   HC   HA32    28     1.09557   107.90074    53.74510
   33    29 S   CT   _C11    36     1.83840   100.64934   137.64184
   34    33 S   HC   _H4_    37     1.09796   104.50211    46.95322
   35    30 S   CO3  _C3_    29     1.52935   114.13467   175.68189
   36    35 S   O2Z  _O31    30     1.26367   116.04174    -1.25648
   37    35 S   O2Z  _O32    31     1.26426   114.41956   178.80221
   38    33 S   CA   _C12    38     1.51176   112.04312   162.76484
   39    33 S   CT   _C10    59     1.53766   114.64335   -70.81595
   40    39 S   HC   _H3_    60     1.09727   108.29863    50.17521
   41    38 S   CA   _C13    39     1.40733   119.20789  -116.23768
   42    41 S   HA   _H9_    40     1.08778   120.39400     0.39713
   43    39 S   OH   _O34    61     1.43971   107.92218   163.81769
   44    43 S   HO   _H15    62     0.97228   107.70986   -60.86130
   45    41 S   CA   _C14    41     1.39467   121.06414  -179.38643
   46    45 S   HA   _H10    42     1.08619   120.00857   179.84934
   47    45 S   CA   _C15    43     1.38950   119.89872     0.04423
   48    47 S   HA   _H11    44     1.08605   120.15199   179.75611
   49    47 S   CA   _C16    45     1.39350   119.77420    -0.22900
   50    49 S   HA   _H12    46     1.08796   118.73650   179.55809
   51    38 S   CA   _C17    47     1.40273   121.89961    64.24003
   52    51 S   N    _N4_    48     1.42765   121.72834    -2.64390
   53    52 S   CA   _C7_    49     1.44027   115.92043    67.46366
   54    52 S   C    _C18    63     1.41757   122.26783  -122.02730
   55    54 S   O    _O33    64     1.23380   125.47378  -171.33159
   56    53 S   CA   _C6_    50     1.41506   117.43413   131.17490
   57    56 S   HA   _H7_    51     1.08791   120.94783    -1.82617
   58    54 S   N    _N5_    65     1.38250   115.62559    12.96105
   59    58 S   H    _H13    66     1.01240   123.55800     5.77255
   60    58 S   H    _H14    67     1.01378   119.63533   178.85945
   61    56 S   CA   _C5_    52     1.39431   122.34709  -178.87291
   62    61 S   HA   _H6_    53     1.08606   120.10124   179.72446
   63    61 S   CA   _C4_    54     1.38187   119.65895    -0.06853
   64    63 S   HA   _H5_    55     1.08568   120.39347  -179.40917
   65    63 S   CA   _C9_    56     1.39096   119.24435     0.26614
   66    65 S   HA   _H8_    57     1.08942   117.89156  -179.44893
   67    53 S   CA   _C8_    58     1.41167   124.51682   -47.21753
  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
  15   7   2   1   1  15  12   5   8   4   4   1   6   3   5   3
   5   2   7  11  11   6   3   7   4   2   1   1   6   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    67    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    49    51    52    53    65    67    39    40    43    44  
   38    41    51    67    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    47    49    50    51    52    53    67    39    40    43    54  
   40    43    44    41    51    52    53    56    63    65    66    67  
   43    44    53    65    67  
   42    45    46    47    48    49    51    52  
   45    46    47    51  
   44    53    65    67  
   67  
   46    47    48    49    50    51  
   47    48    49  
   48    49    50    51    52  
   49    50    51  
   50    51    52    53    54  
   51    52  
   52    53    56    67    54    55    58  
   53    56    57    61    65    67    54    55    58    59    60  
   56    57    61    62    63    65    66    67    54    55    58  
   55    58    59    60    56    67  
   58    59    60  
   57    61    62    63    64    65    67  
   61    62    63    67  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.2500   0.1700  -0.292500   1.8100   1.6000   0.054801302  -1.445846770
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.869600   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.616300   1.8100   1.6000   0.001000000  -1.480495490
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.959200   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   60   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    51   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   360.000  1.404
   52    53   360.000  1.404
   52    54   490.000  1.335
   53    56   469.000  1.400
   53    67   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    39   317.000  1.510
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   54    55   570.000  1.229
   54    58   490.000  1.335
   58    59   434.000  1.010
   58    60   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    51    70.00000  120.00000
   33    39    67    70.00000  112.17500
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    51    49    63.00000  120.00000
   38    51    52    70.00000  119.01900
   41    45    46    35.00000  120.00000
   41    45    47    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    70.00000  119.01900
   51    38    41    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    75.00000  115.74000
   51    52    54    65.00000  121.96500
   52    53    56    70.00000  119.01900
   52    53    67    70.00000  119.01900
   52    54    55    80.00000  122.90000
   52    54    58    90.00000  111.91700
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   53    67    65    63.00000  120.00000
   53    67    39    70.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    63    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    39    70.00000  120.00000
   67    53    56    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    39    40    35.00000  109.50000
   67    39    43    90.00000  112.51600
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   54    52    53    65.00000  121.96500
   54    58    59    35.00000  119.80000
   54    58    60    35.00000  119.80000
   58    54    55    80.00000  122.90000
   60    58    59    35.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    51  -0.16000  1.0 1.0
   29    33    38    51  -0.03200 -1.0 2.0
   29    33    38    51   0.04500  1.0 3.0
   29    33    39    67   0.56750  1.0 1.0
   29    33    39    67  -0.07550 -1.0 2.0
   29    33    39    67   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    51    49   3.62500 -1.0 2.0
   33    38    51    52   3.62500 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    51   0.00000  1.0 1.0
   34    33    39    67   0.43200  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    67  -0.94300  1.0 1.0
   38    33    39    67   1.32550 -1.0 2.0
   38    33    39    67  -0.07100  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   1.13150  1.0 1.0
   38    33    39    43  -1.01400 -1.0 2.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    47   3.62500 -1.0 2.0
   38    51    52    53   0.70250  1.0 1.0
   38    51    52    53   1.56150 -1.0 2.0
   38    51    52    54   1.00100  1.0 1.0
   38    51    52    54   0.85050 -1.0 2.0
   41    38    51    49   3.62500 -1.0 2.0
   41    38    51    52   3.62500 -1.0 2.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45   -47    49   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   45    47    49    51   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49   -51    38   3.62500 -1.0 2.0
   47    49    51    52   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    52    53   0.70250  1.0 1.0
   49    51    52    53   1.56150 -1.0 2.0
   49    51    52    54   1.00100  1.0 1.0
   49    51    52    54   0.85050 -1.0 2.0
   50    49    51    38   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   51    38    41    42   3.62500 -1.0 2.0
   51    38   -41    45   3.62500 -1.0 2.0
   51    52    53    56   0.70250  1.0 1.0
   51    52    53    56   1.56150 -1.0 2.0
   51    52    53    67   0.70250  1.0 1.0
   51    52    53    67   1.56150 -1.0 2.0
   51    52    54    55   0.04000 -1.0 2.0
   51    52    54    58   0.54900  1.0 1.0
   51    52    54    58   1.90750 -1.0 2.0
   52    53    56    57   3.62500 -1.0 2.0
   52    53    56    61   3.62500 -1.0 2.0
   52    53    67    65   3.62500 -1.0 2.0
   52    53    67    39   3.62500 -1.0 2.0
   52    54    58    59   2.56700 -1.0 2.0
   52    54    58    60   2.56700 -1.0 2.0
   53    52    54    55   0.04000 -1.0 2.0
   53    52    54    58   0.54900  1.0 1.0
   53    52    54    58   1.90750 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   53    56    61    63   3.62500 -1.0 2.0
   53    67    39    33   0.04150 -1.0 2.0
   53    67    39    40   0.00000  1.0 1.0
   53    67    39    43   0.14300 -1.0 2.0
   53    67    39    43   0.00300  1.0 3.0
   56    53    67    65   3.62500 -1.0 2.0
   56    53    67    39   3.62500 -1.0 2.0
   56    61    63    64   3.62500 -1.0 2.0
   56    61   -63    65   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65   -67    53   3.62500 -1.0 2.0
   63    65    67    39   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    39    33   0.04150 -1.0 2.0
   65    67    39    40   0.00000  1.0 1.0
   65    67    39    43   0.14300 -1.0 2.0
   65    67    39    43   0.00300  1.0 3.0
   66    65    67    53   3.62500 -1.0 2.0
   66    65    67    39   3.62500 -1.0 2.0
   67    53    56    57   3.62500 -1.0 2.0
   67    53   -56    61   3.62500 -1.0 2.0
   67    39    43    44   0.31900  1.0 1.0
   67    39    43    44  -0.11800 -1.0 2.0
   67    39    43    44   0.38750  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    51   0.04150 -1.0 2.0
   40    39    43    44   0.19450  1.0 3.0
   54    52    53    56   1.00100  1.0 1.0
   54    52    53    56   0.85050 -1.0 2.0
   54    52    53    67   1.00100  1.0 1.0
   54    52    53    67   0.85050 -1.0 2.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    60   2.45000 -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
   41    51    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   49    52    51    38   4.00000 -1.0 2.0
   53    54    52    51   1.00000 -1.0 2.0
   56    67    53    52   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   63    62    61    56   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    39    67    53   4.00000 -1.0 2.0
   52    58    54    55  10.50000 -1.0 2.0
   60    54    58    59   1.00000 -1.0 2.0
END
