* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    122    189     359
    1     0 S   NP   _N1_     1    28.73554    93.78810   -22.42946
    2     1 S   H    _HN1     2     1.02960    87.39623    29.68198
    3     1 S   H    _H1_     3     1.02837    24.76550   172.70744
    4     1 S   H    _H2_     4     1.02777   101.10098   -78.48525
    5     1 S   CT   _CA1     5     1.50120   133.48450   145.62152
    6     5 S   HC   _HA1     6     1.09576   105.22569    70.88571
    7     5 S   CO3  _C1_     7     1.53775   112.39900   -49.30593
    8     7 S   O2Z  _O11     8     1.26357   115.00120   -43.74950
    9     7 S   O2Z  _O12     9     1.26238   114.91550   135.42780
   10     5 S   CT   _CB1    10     1.53095   107.42760  -171.22768
   11    10 S   HC   HB11    11     1.09827   109.28879   -51.00846
   12    10 S   HC   HB12    12     1.09819   110.43169    65.51918
   13    10 S   CT   _CG1    13     1.53021   112.70215  -172.12600
   14    13 S   HC   HG11    14     1.09593   110.45712   -64.49257
   15    13 S   HC   HG12    15     1.09653   109.97875    54.74972
   16    13 S   C    _CD1    16     1.51798   112.28935   175.05716
   17    16 S   O    _OE1    17     1.22738   123.28317    -1.42010
   18    16 S   N    _N2_    18     1.38683   111.71211   178.82630
   19    18 S   H    _HN2    19     1.01588   119.11236     1.06441
   20    18 S   CT1  _CA2    20     1.46048   123.15019   179.32740
   21    20 S   HC   _HA2    21     1.09743   109.19632    -5.52386
   22    20 S   C    _C2_    22     1.53410   108.69268  -120.76832
   23    22 S   O    _O2_    23     1.23024   122.18970  -145.96668
   24    20 S   CT   _CB2    32     1.53399   112.07519   116.13357
   25    24 S   HC   HB21    33     1.09581   110.58761    57.52286
   26    24 S   HC   HB22    34     1.09347   109.41835   175.63211
   27    22 S   N    _N3_    24     1.38480   113.41826    41.72830
   28    27 S   H    _HN3    25     1.01496   118.99293    -0.95613
   29    24 S   S    _SG2    35     1.83070   111.61009   -62.54483
   30    27 S   CT   _CA3    26     1.45437   123.33775   173.93864
   31    30 S   HC   HA31    27     1.09531   109.05730    27.65813
   32    30 S   HC   HA32    28     1.09484   107.15758   144.74574
   33    29 S   CT   _C5_    36     1.87460   101.00829  -145.09842
   34    30 S   CO3  _C3_    29     1.52995   113.32556   -95.58484
   35    34 S   O2Z  _O31    30     1.26389   115.59700   -37.84836
   36    34 S   O2Z  _O32    31     1.26378   114.83901   143.04133
   37    33 S   CT   _C6_    37     1.54988   108.69158    76.31648
   38    37 S   HC   _H3_    38     1.09860   109.13274   -58.46893
   39    33 S   CT   _C4_    64     1.53786   103.80346  -161.15733
   40    39 S   HC   _H4_    65     1.09741   110.85849    65.45928
   41    39 S   HC   _H5_    66     1.09560   112.76608   -56.16900
   42    39 S   HC   _H6_    67     1.09252   112.33131  -177.02830
   43    37 S   SY   _S1_    39     1.79523   112.48145  -170.29471
   44    43 S   OY   _O33    40     1.44887   110.41908   -66.22601
   45    43 S   OY   _O34    41     1.45081   107.98713   159.88315
   46    37 S   C    _C9_    49     1.53025   114.81519    63.84758
   47    46 S   O    _O36    50     1.22727   121.63317    81.15259
   48    43 S   CT   _C7_    42     1.77335   100.85984    47.51953
   49    48 S   HC   _H7_    43     1.09327   107.83489  -173.99580
   50    48 S   HC   _H8_    44     1.09476   106.81925    68.57972
   51    46 S   N    _N4_    51     1.39121   111.80608   -98.11157
   52    51 S   H    _H11    52     1.01660   117.43502     1.29890
   53    48 S   CT   _C8_    45     1.51237   110.06540   -52.05405
   54    53 S   HC   _H9_    46     1.09506   108.86059  -179.67434
   55    53 S   HC   _H10    47     1.09398   112.35891   -61.76501
   56    51 S   CA   _C10    53     1.41411   127.67279   179.36112
   57    33 S   OS   _O35    48     1.43783   107.30040   -44.56232
   58    56 S   CA   _C11    54     1.40307   116.79836  -177.51667
   59    58 S   HA   _H12    55     1.08803   120.69593     0.12820
   60    58 S   CA   _C12    56     1.39620   120.77116   179.80617
   61    60 S   HA   _H13    57     1.08624   119.93492  -179.85196
   62    60 S   CA   _C13    58     1.39148   119.96403     0.09691
   63    62 S   HA   _H14    59     1.08597   120.14244   179.97202
   64    62 S   CA   _C14    60     1.39293   119.74182    -0.00000
   65    64 S   HA   _H15    61     1.08667   119.85113   179.93147
   66    56 S   CA   _C15    62     1.39770   124.38208     2.42366
   67    66 S   HA   _H16    63     1.08382   122.32749     0.34548
  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  11   5   4   3
  17   2   1   1  18   9   7   3   2   1  12   6   5   8   3   6
   5   4   8   3   3   2   1   9   1   8   4   6   3   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    53    57    46    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    48    53    54    55    57    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    48    49    50    53    57    46    47    51    52    56    39    40    41    42  
   43    44    45    48    57    46    47    51    39  
   40    41    42    43    46    53    57  
   41    42    57  
   42    57  
   57  
   44    45    48    49    50    53    54    55    57    46    47    51  
   45    48    49    50    53    46  
   48    49    50    53    46  
   47    51    52    56    58    66    48    57  
   51    52    56  
   49    50    53    54    55    57  
   50    53    54    55    57  
   53    54    55    57  
   52    56    58    59    60    64    66    67  
   56    58    66  
   54    55    57  
   55    57  
   57  
   58    59    60    61    62    64    65    66    67  
    0  
   59    60    61    62    63    64    66    67  
   60    61    62    66  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67  
   64    65    66  
   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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.119100   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.2500   0.940800   2.0025   1.7750   0.025682759  -1.666211680
   44   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660  -0.297800   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    57   320.000  1.410
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   205.000  1.840
   37    46   317.000  1.522
   43    44   735.000  1.471
   43    45   735.000  1.471
   43    48   205.000  1.840
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   320.000  1.410
   46    47   570.000  1.229
   46    51   490.000  1.335
   51    52   434.000  1.010
   51    56   360.000  1.404
   56    58   469.000  1.400
   56    66   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    57    85.00000  114.68000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    75.00000  110.51500
   33    37    46    63.00000  111.10000
   33    57    53    60.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44   100.00000  108.55000
   37    43    45   100.00000  108.55000
   37    43    48    85.00000  101.44300
   37    46    47    80.00000  120.40000
   37    46    51    70.00000  116.60000
   43    37    38    45.00000  108.39800
   43    48    49    45.00000  108.39800
   43    48    50    45.00000  108.39800
   43    48    53    75.00000  110.51500
   45    43    44   115.00000  120.17200
   48    43    44   100.00000  108.55000
   48    43    45   100.00000  108.55000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   55    53    54    33.00000  107.80000
   57    33    37    50.00000  109.50000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   46    37    38    35.00000  109.50000
   46    37    43    75.00000  108.36600
   46    51    52    35.00000  119.80000
   46    51    56    65.00000  121.96500
   51    46    47    80.00000  122.90000
   51    56    58    70.00000  119.01900
   51    56    66    70.00000  119.01900
   56    51    52    45.00000  118.23600
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   56    66    64    63.00000  120.00000
   56    66    67    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   66    56    58    63.00000  120.00000
   66    64    65    35.00000  120.00000
   39    33    37    58.35000  112.70000
   39    33    57    50.00000  109.50000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    57    53   0.14700  1.0 1.0
   29    33    57    53  -1.16150 -1.0 2.0
   29    33    57    53   0.48700  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44  -0.82900  1.0 1.0
   33    37    43    44   0.81700 -1.0 2.0
   33    37    43    44  -0.10400  1.0 3.0
   33    37    43    45  -0.82900  1.0 1.0
   33    37    43    45   0.81700 -1.0 2.0
   33    37    43    45  -0.10400  1.0 3.0
   33    37    43    48  -0.27700  1.0 1.0
   33    37    43    48   0.98450 -1.0 2.0
   33    37    43    48   0.60850  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    51   1.39750  1.0 1.0
   33    37    46    51  -0.07950 -1.0 2.0
   33    37    46    51  -0.18750  1.0 3.0
   37    33    57    53   0.06250  1.0 1.0
   37    33    57    53  -0.01100 -1.0 2.0
   37    33    57    53   0.28050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49  -0.13900  1.0 3.0
   37    43    48    50  -0.13900  1.0 3.0
   37    43   -48    53  -0.27700  1.0 1.0
   37    43   -48    53   0.98450 -1.0 2.0
   37    43   -48    53   0.60850  1.0 3.0
   37    46    51    52   2.45000 -1.0 2.0
   37    46    51    56   0.76000  1.0 1.0
   37    46    51    56   4.11600 -1.0 2.0
   38    37    43    44   0.26000  1.0 3.0
   38    37    43    45   0.26000  1.0 3.0
   38    37    43    48  -0.13900  1.0 3.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    51   0.00000  1.0 1.0
   43    37    46    47   0.30150 -1.0 2.0
   43    37    46    51   0.00000  1.0 1.0
   43    48    53    54   0.15000  1.0 3.0
   43    48    53    55   0.15000  1.0 3.0
   43    48    53    57   0.56750  1.0 1.0
   43    48    53    57  -0.07550 -1.0 2.0
   43    48    53    57   0.20000  1.0 3.0
   44    43    48    49   0.26000  1.0 3.0
   44    43    48    50   0.26000  1.0 3.0
   44    43    48    53  -0.82900  1.0 1.0
   44    43    48    53   0.81700 -1.0 2.0
   44    43    48    53  -0.10400  1.0 3.0
   45    43    48    49   0.26000  1.0 3.0
   45    43    48    50   0.26000  1.0 3.0
   45    43    48    53  -0.82900  1.0 1.0
   45    43    48    53   0.81700 -1.0 2.0
   45    43    48    53  -0.10400  1.0 3.0
   48    53   -57    33   0.06250  1.0 1.0
   48    53   -57    33  -0.01100 -1.0 2.0
   48    53   -57    33   0.28050  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    57   0.23400  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    57   0.23400  1.0 3.0
   54    53    57    33   0.37050  1.0 3.0
   55    53    57    33   0.37050  1.0 3.0
   57    33    37    38   0.23400  1.0 3.0
   57    33   -37    43   0.56750  1.0 1.0
   57    33   -37    43  -0.07550 -1.0 2.0
   57    33   -37    43   0.20000  1.0 3.0
   57    33    37    46  -0.09450  1.0 1.0
   57    33    37    46  -1.12950 -1.0 2.0
   57    33    37    46   0.54000  1.0 3.0
   57    33    39    40   0.23400  1.0 3.0
   57    33    39    41   0.23400  1.0 3.0
   57    33    39    42   0.23400  1.0 3.0
   46    37    43    44  -0.67400  1.0 1.0
   46    37    43    44   0.68950 -1.0 2.0
   46    37    43    44  -0.11550  1.0 3.0
   46    37    43    45  -0.67400  1.0 1.0
   46    37    43    45   0.68950 -1.0 2.0
   46    37    43    45  -0.11550  1.0 3.0
   46    37    43    48  -0.14800  1.0 1.0
   46    37    43    48   0.81200 -1.0 2.0
   46    37    43    48   0.62850  1.0 3.0
   46    51    56    58   1.00100  1.0 1.0
   46    51    56    58   0.85050 -1.0 2.0
   46    51    56    66   1.00100  1.0 1.0
   46    51    56    66   0.85050 -1.0 2.0
   47    46    51    52   2.45000 -1.0 2.0
   47    46    51    56   0.04000 -1.0 2.0
   51    56    58    59   3.62500 -1.0 2.0
   51    56    58    60   3.62500 -1.0 2.0
   51    56    66    64   3.62500 -1.0 2.0
   51    56    66    67   3.62500 -1.0 2.0
   52    51    56    58   0.97800 -1.0 2.0
   52    51    56    66   0.97800 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58    60    62   3.62500 -1.0 2.0
   58    56    66    64   3.62500 -1.0 2.0
   58    56    66    67   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60   -62    64   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62    64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64   -66    56   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   65    64    66    56   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   66    56    58    59   3.62500 -1.0 2.0
   66    56   -58    60   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -1.30150  1.0 1.0
   39    33    37    46  -0.95700  1.0 1.0
   39    33    37    46  -0.18200 -1.0 2.0
   39    33    37    46   0.29450  1.0 3.0
   39    33    57    53   0.06250  1.0 1.0
   39    33    57    53  -0.01100 -1.0 2.0
   39    33    57    53   0.28050  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
   35    30    34    36  10.50000 -1.0 2.0
   37    51    46    47  10.50000 -1.0 2.0
   52    46    51    56   1.00000 -1.0 2.0
   58    66    56    51   4.00000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   64    67    66    56   1.10000 -1.0 2.0
END
