* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    113    170     330
    1     0 S   NP   _N1_     1    29.12347    95.66781   -26.62084
    2     1 S   H    _HN1     2     1.02949    73.79017     9.50963
    3     1 S   H    _H1_     3     1.02828    33.54077  -163.30283
    4     1 S   H    _H2_     4     1.02788   123.20320   -92.14021
    5     1 S   CT   _CA1     5     1.50111   119.91530   114.08994
    6     5 S   HC   _HA1     6     1.09573   105.18877    95.10983
    7     5 S   CO3  _C1_     7     1.53776   112.47622   -25.13275
    8     7 S   O2Z  _O11     8     1.26372   115.00292   -42.47558
    9     7 S   O2Z  _O12     9     1.26237   114.93715   136.64205
   10     5 S   CT   _CB1    10     1.53072   107.42149  -146.90181
   11    10 S   HC   HB11    11     1.09836   109.35363   -49.63560
   12    10 S   HC   HB12    12     1.09812   110.45813    66.96477
   13    10 S   CT   _CG1    13     1.53005   112.62155  -170.59891
   14    13 S   HC   HG11    14     1.09576   110.67794   -66.32598
   15    13 S   HC   HG12    15     1.09671   109.74767    52.91882
   16    13 S   C    _CD1    16     1.51800   112.13340   173.38500
   17    16 S   O    _OE1    17     1.22739   123.24659     9.19052
   18    16 S   N    _N2_    18     1.38663   111.74512  -170.90923
   19    18 S   H    _HN2    19     1.01582   118.93964     1.60547
   20    18 S   CT1  _CA2    20     1.46202   123.34850   176.81789
   21    20 S   HC   _HA2    21     1.09737   109.33676     4.41898
   22    20 S   C    _C2_    22     1.53595   108.62708  -111.03923
   23    22 S   O    _O2_    23     1.23060   122.27166  -147.80931
   24    20 S   CT   _CB2    32     1.53286   111.67435   126.43594
   25    24 S   HC   HB21    33     1.09581   110.20323    56.55304
   26    24 S   HC   HB22    34     1.09512   110.09005   175.63448
   27    22 S   N    _N3_    24     1.38322   113.74818    39.61637
   28    27 S   H    _HN3    25     1.01569   119.61384    -3.16576
   29    24 S   S    _SG2    35     1.82535   111.66950   -64.44560
   30    27 S   CT   _CA3    26     1.45287   123.24705   177.20418
   31    30 S   HC   HA31    27     1.09548   107.50451   -64.91308
   32    30 S   HC   HA32    28     1.09556   108.00259    51.54104
   33    29 S   CT   _C14    36     1.82995    98.77670  -179.18411
   34    33 S   F    F1__    37     1.36691   108.04980   -57.22015
   35    33 S   F    F2__    38     1.36416   108.79736    55.63815
   36    30 S   CO3  _C3_    29     1.52970   114.05014   173.54490
   37    36 S   O2Z  _O31    30     1.26381   116.06419    -0.57641
   38    36 S   O2Z  _O32    31     1.26426   114.41730   179.48262
   39    33 S   CA   _C12    39     1.51339   110.65366  -179.83807
   40    39 S   CA   _C13    40     1.41053   118.63285    88.82766
   41    40 S   HA   _H12    41     1.08543   117.53133    -0.30001
   42    40 S   CA   _C8_    42     1.40255   121.62632   179.84677
   43    42 S   CA   _C9_    43     1.40238   119.00313     0.22206
   44    43 S   HA   _H10    44     1.08799   120.64931   179.96044
   45    42 S   N    _N4_    51     1.41560   124.34651  -179.86012
   46    45 S   H    _H9_    52     1.01611   114.90358  -179.28345
   47    43 S   CA   _C10    45     1.39314   120.77288    -0.00000
   48    47 S   HA   _H11    46     1.08692   119.53347   179.82529
   49    45 S   C    _C7_    53     1.39031   127.73841     1.12831
   50    49 S   O    _O33    54     1.22951   126.35849     1.14637
   51    39 S   CA   _C11    47     1.40195   124.16235   -90.83395
   52    49 S   CT   _C5_    55     1.54276   113.12972  -179.77619
   53    51 S   NO2  _N5_    48     1.44365   121.05422     0.22381
   54    53 S   ON   _O35    49     1.23734   116.83036  -105.63221
   55    53 S   ON   _O34    50     1.23688   117.04322    75.25634
   56    52 S   CT   _C4_    56     1.52754   111.39783    60.85697
   57    56 S   HC   _H3_    57     1.09610   110.84351   171.26727
   58    56 S   HC   _H4_    58     1.09637   110.62124    53.22356
   59    56 S   HC   _H5_    59     1.09445   112.47382   -67.45804
   60    52 S   CT   _C6_    60     1.52790   111.30371   -63.99842
   61    60 S   HC   _H6_    61     1.09592   110.83740  -171.71473
   62    60 S   HC   _H7_    62     1.09454   112.31155    66.93071
   63    60 S   HC   _H8_    63     1.09630   110.66964   -53.60189
   64    52 S   OH   _O36    64     1.42779   108.05995   177.72686
   65    64 S   HO   _H13    65     0.97305   107.79943    57.67254
  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   6   5   4   3
   9   4   3   2   1   1  11  10   4  10   8   4   8   3   5   2
  12   4   3  10   2   1   1   9   4   3   2   5   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    51    53  
   35    39    40    51  
   39    40    51  
   37    38  
   38  
    0  
   40    41    42    43    47    48    51    53    54    55    45  
   41    42    43    44    47    51    53    45    46    49  
   42    43    51    45  
   43    44    47    48    51    45    46    49    50    52  
   44    47    48    51    53    45    46    49  
   47    48    51    45  
   46    49    50    52    56    60    64    47  
   49    50    52  
   48    51    53    54    55  
   51    53  
   50    52    56    57    58    59    60    61    62    63    64    65  
   52    56    60    64  
   53    54    55  
   56    57    58    59    60    61    62    63    64    65  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    64    65  
   58    59    60    64  
   59    60    64  
   60    64  
   61    62    63    64    65  
   62    63    64  
   63    64  
   64  
   65  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    51   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    45   360.000  1.404
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   400.000  1.460
   53    54   550.000  1.225
   53    55   550.000  1.225
   45    46   434.000  1.010
   45    49   490.000  1.335
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    56   268.000  1.529
   52    60   268.000  1.529
   52    64   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    51    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    51    47    63.00000  120.00000
   39    51    53    85.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    45    70.00000  119.01900
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    47    63.00000  120.00000
   42    45    46    45.00000  118.23600
   42    45    49    65.00000  121.96500
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    53    85.00000  120.00000
   51    39    40    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    54    80.00000  117.50000
   51    53    55    80.00000  117.50000
   55    53    54    80.00000  125.30000
   45    42    43    70.00000  119.01900
   45    49    50    80.00000  122.90000
   45    49    52    70.00000  116.60000
   49    45    46    35.00000  119.80000
   49    52    56    63.00000  111.10000
   49    52    60    63.00000  111.10000
   49    52    64    95.00000  109.52300
   52    49    50    80.00000  120.40000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   52    64    65    55.00000  108.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    52    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    52    56    50.00000  109.50000
   64    52    60    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    51  -0.16000  1.0 1.0
   29    33    39    51  -0.03200 -1.0 2.0
   29    33    39    51   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    51    47   3.62500 -1.0 2.0
   33    39    51    53   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    51   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    51   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    45   3.62500 -1.0 2.0
   39    51    53    54   0.69950 -1.0 2.0
   39    51    53    55   0.69950 -1.0 2.0
   40    39    51    47   3.62500 -1.0 2.0
   40    39    51    53   3.62500 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42   -43    47   3.62500 -1.0 2.0
   40    42    45    46   0.97800 -1.0 2.0
   40    42    45    49   1.00100  1.0 1.0
   40    42    45    49   0.85050 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   42    43    47    48   3.62500 -1.0 2.0
   42    43    47    51   3.62500 -1.0 2.0
   42    45    49    50   0.04000 -1.0 2.0
   42    45    49    52   0.76000  1.0 1.0
   42    45    49    52   4.11600 -1.0 2.0
   43    42    45    46   0.97800 -1.0 2.0
   43    42    45    49   1.00100  1.0 1.0
   43    42    45    49   0.85050 -1.0 2.0
   43    47   -51    39   3.62500 -1.0 2.0
   43    47    51    53   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    53    54   0.69950 -1.0 2.0
   47    51    53    55   0.69950 -1.0 2.0
   48    47    51    39   3.62500 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   51    39    40    41   3.62500 -1.0 2.0
   51    39   -40    42   3.62500 -1.0 2.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    47   3.62500 -1.0 2.0
   45    49    52    56   1.39750  1.0 1.0
   45    49    52    56  -0.07950 -1.0 2.0
   45    49    52    56  -0.18750  1.0 3.0
   45    49    52    60   1.39750  1.0 1.0
   45    49    52    60  -0.07950 -1.0 2.0
   45    49    52    60  -0.18750  1.0 3.0
   45    49    52    64   0.00000  1.0 1.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    52   2.45000 -1.0 2.0
   49    52    56    57  -0.11250  1.0 3.0
   49    52    56    58  -0.11250  1.0 3.0
   49    52    56    59  -0.11250  1.0 3.0
   49    52    60    61  -0.11250  1.0 3.0
   49    52    60    62  -0.11250  1.0 3.0
   49    52    60    63  -0.11250  1.0 3.0
   49    52    64    65   0.91850  1.0 1.0
   49    52    64    65   0.57950  1.0 3.0
   50    49    52    56   0.30150 -1.0 2.0
   50    49    52    60   0.30150 -1.0 2.0
   50    49    52    64   0.30150 -1.0 2.0
   56    52    60    61   0.15000  1.0 3.0
   56    52    60    62   0.15000  1.0 3.0
   56    52    60    63   0.15000  1.0 3.0
   56    52    64    65  -0.11600  1.0 1.0
   56    52    64    65  -0.09450 -1.0 2.0
   56    52    64    65   0.21250  1.0 3.0
   60    52    56    57   0.15000  1.0 3.0
   60    52    56    58   0.15000  1.0 3.0
   60    52    56    59   0.15000  1.0 3.0
   60    52    64    65  -0.11600  1.0 1.0
   60    52    64    65  -0.09450 -1.0 2.0
   60    52    64    65   0.21250  1.0 3.0
   64    52    56    57   0.23400  1.0 3.0
   64    52    56    58   0.23400  1.0 3.0
   64    52    56    59   0.23400  1.0 3.0
   64    52    60    61   0.23400  1.0 3.0
   64    52    60    62   0.23400  1.0 3.0
   64    52    60    63   0.23400  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
   37    30    36    38  10.50000 -1.0 2.0
   40    51    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    45    42    40   4.00000 -1.0 2.0
   47    44    43    42   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   47    53    51    39   4.00000 -1.0 2.0
   54    51    53    55  10.50000 -1.0 2.0
   46    49    45    42   1.00000 -1.0 2.0
   45    52    49    50  10.50000 -1.0 2.0
END
