* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    229     426
    1     0 S   NP   _N1_     1    28.71086    94.94842   -22.24505
    2     1 S   H    _HN1     2     1.02975    84.67704    28.56957
    3     1 S   H    _H1_     3     1.02818    30.55094   166.06772
    4     1 S   H    _H2_     4     1.02776    96.54881   -79.27081
    5     1 S   CT   _CA1     5     1.50171   139.89111   144.03139
    6     5 S   HC   _HA1     6     1.09584   105.18742    70.89995
    7     5 S   CO3  _C1_     7     1.53772   112.47016   -49.05907
    8     7 S   O2Z  _O11     8     1.26344   115.03661   -41.33768
    9     7 S   O2Z  _O12     9     1.26262   114.91545   137.70777
   10     5 S   CT   _CB1    10     1.53061   107.29114  -171.41350
   11    10 S   HC   HB11    11     1.09818   109.03569   -52.27269
   12    10 S   HC   HB12    12     1.09827   110.43582    64.10024
   13    10 S   CT   _CG1    13     1.53013   112.91589  -173.61168
   14    13 S   HC   HG11    14     1.09596   110.22354   -65.65138
   15    13 S   HC   HG12    15     1.09638   110.20275    53.58113
   16    13 S   C    _CD1    16     1.51812   112.18111   173.52804
   17    16 S   O    _OE1    17     1.22719   123.17106   -12.05916
   18    16 S   N    _N2_    18     1.38625   111.84085   169.17585
   19    18 S   H    _HN2    19     1.01567   119.10404     1.62775
   20    18 S   CT1  _CA2    20     1.46081   123.23685  -179.66662
   21    20 S   HC   _HA2    21     1.09601   109.38293    -2.55229
   22    20 S   C    _C2_    22     1.53501   108.82461  -117.93089
   23    22 S   O    _O2_    23     1.23054   122.06969  -146.82743
   24    20 S   CT   _CB2    32     1.53353   111.59923   119.68339
   25    24 S   HC   HB21    33     1.09657   109.65808    61.69615
   26    24 S   HC   HB22    34     1.09575   110.89202   179.02662
   27    22 S   N    _N3_    24     1.38465   113.63314    40.59226
   28    27 S   H    _HN3    25     1.01504   118.96876    -0.57198
   29    24 S   S    _SG2    35     1.82791   114.69600   -58.21103
   30    27 S   CT   _CA3    26     1.45440   123.44970   175.31885
   31    30 S   HC   HA31    27     1.09521   109.33849    23.75829
   32    30 S   HC   HA32    28     1.09502   107.13695   140.72383
   33    29 S   CT   _C18    36     1.82114    99.81158   -66.19039
   34    33 S   HC   _H21    37     1.09472   109.67131   -47.61238
   35    33 S   HC   _H22    38     1.09340   108.69645    69.71918
   36    30 S   CO3  _C3_    29     1.52880   112.87029   -99.77723
   37    36 S   O2Z  _O31    30     1.26413   115.25488   -50.27048
   38    36 S   O2Z  _O32    31     1.26330   115.09363   130.59514
   39    33 S   CM   _C16    39     1.49870   110.04473  -168.33791
   40    39 S   CMA  _C17    40     1.35296   128.27969  -109.71752
   41    40 S   OM   _O36    41     1.26265   128.22779     0.77025
   42    40 S   OS   _O35    42     1.43025   109.29447  -177.78530
   43    42 S   CT   _C7_    43     1.43577   104.37379   -19.62269
   44    43 S   HC   _H3_    44     1.10115   106.03667   -83.76632
   45    43 S   CT   _C6_    45     1.52720   112.04579   159.61084
   46    45 S   HC   _H11    46     1.09745   109.18837    44.51335
   47    45 S   HC   _H12    47     1.09869   106.88480   159.46685
   48    45 S   CT   _C5_    48     1.55338   115.86429   -79.98320
   49    48 S   CT   _C10    49     1.56269   109.04015   -49.56555
   50    49 S   HC   _H5_    50     1.10176   107.53801   -58.27441
   51    48 S   CT   _C4_    71     1.55036   109.10565    73.21182
   52    51 S   HC   _H8_    72     1.09414   112.14130   177.02428
   53    51 S   HC   _H9_    73     1.09578   111.17409    56.94932
   54    51 S   HC   _H10    74     1.09256   112.57991   -62.76392
   55    49 S   CM   _C11    51     1.53115   110.64405  -172.90331
   56    49 S   CT   _C9_    66     1.53896   111.42771    56.90182
   57    56 S   HC   _H13    67     1.09864   109.54174  -176.79100
   58    56 S   HC   _H14    68     1.09749   110.26204    67.35967
   59    55 S   CT   _C13    52     1.51905   112.79022    58.22445
   60    59 S   HC   _H6_    53     1.09705   108.29110    64.45688
   61    55 S   CM   _C12    63     1.34440   124.44310  -121.77849
   62    61 S   HC   _H15    64     1.08498   121.70653  -179.97202
   63    61 S   HC   _H16    65     1.08357   122.52337     0.26393
   64    39 S   CT   _C8_    69     1.49908   120.92035    74.61997
   65    64 S   HC   _H4_    70     1.09560   113.03320   -47.73571
   66    59 S   CT   _C14    54     1.52786   110.79560   -56.02393
   67    66 S   HC   _H17    55     1.09837   109.62287   174.86016
   68    66 S   HC   _H18    56     1.09804   110.68720   -71.30856
   69    59 S   OH   _O34    61     1.42461   112.13085  -177.70279
   70    69 S   HO   _H20    62     0.97221   107.59163  -178.02206
   71    48 S   CT   _C15    57     1.56395   108.17468  -167.41257
   72    71 S   HC   _H7_    58     1.09805   108.95798    52.02329
   73    71 S   OH   _O33    59     1.42606   110.55035   -64.97573
   74    73 S   HO   _H19    60     0.97226   107.71164   178.00433
  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
  10   4   3   2   1   1  12   8   3   9  13   7  17   6   5  20
  21   9   9   3   2   1  15   7   3   2  12   7   4   1   1   1
   1   8   5   4   2   1   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    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    64  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    56    64    65  
   35    39    40    64  
   39    40    64  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    56    57    58    64    65  
   41    42    43    44    45    56    64    65  
   42    43    64  
   43    44    45    46    47    48    56    64    65  
   44    45    46    47    48    49    71    56    57    58    64    65    51  
   45    46    47    48    56    64    65  
   46    47    48    49    50    55    66    71    72    73    56    64    65    51    52    53    54  
   47    48    49    71    64    51  
   48    49    71    64    51  
   49    50    55    59    66    67    68    71    72    73    74    61    56    57    58    64    51    52    53    54  
   50    55    59    60    66    71    72    73    69    61    62    63    56    57    58    64    65    51    52    53    54  
   55    59    71    61    56    57    58    64    51  
   52    53    54    55    56    66    71    72    73  
   53    54    71  
   54    71  
   71  
   59    60    66    67    68    71    69    70    61    62    63    56    57    58    64  
   57    58    64    65    59    61    71  
   58    64    65  
   64    65  
   60    66    67    68    71    72    73    69    70    61    62    63  
   66    67    68    71    69    70    61  
   62    63    66    69  
   63  
    0  
   65  
    0  
   67    68    71    72    73    74    69    70  
   68    71    72    73    69  
   71    72    73    69  
   70    71  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   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   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    64   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    64   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   268.000  1.529
   48    71   268.000  1.529
   48    51   268.000  1.529
   49    50   340.000  1.090
   49    55   317.000  1.510
   49    56   268.000  1.529
   55    59   317.000  1.510
   55    61   549.000  1.340
   59    60   340.000  1.090
   59    66   268.000  1.529
   59    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   320.000  1.410
   73    74   553.000  0.945
   69    70   553.000  0.945
   61    62   340.000  1.080
   61    63   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    64    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    64    43    70.00000  112.02700
   39    64    56    70.00000  112.02700
   39    64    65    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    64    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    64    56    58.35000  112.70000
   43    64    65    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    48    49    58.35000  112.70000
   45    48    71    58.35000  112.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    55    70.00000  112.02700
   48    49    56    58.35000  112.70000
   48    71    66    58.35000  112.70000
   48    71    72    37.50000  110.70000
   48    71    73    50.00000  109.50000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    59    65.00000  117.92700
   49    55    61    70.00000  124.00000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    64    58.35000  112.70000
   55    49    50    35.00000  109.50000
   55    59    60    35.00000  109.50000
   55    59    66    70.00000  112.02700
   55    59    69    90.00000  110.39200
   55    61    62    35.00000  120.00000
   55    61    63    35.00000  120.00000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    71    58.35000  112.70000
   59    69    70    55.00000  108.50000
   66    59    60    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    50.00000  109.50000
   68    66    67    33.00000  107.80000
   71    48    49    58.35000  112.70000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    73    74    55.00000  108.50000
   73    71    72    35.00000  109.50000
   69    59    60    35.00000  109.50000
   69    59    66    50.00000  109.50000
   61    55    59    70.00000  124.00000
   63    61    62    35.00000  117.00000
   56    49    50    37.50000  110.70000
   56    49    55    70.00000  112.02700
   56    64    65    37.50000  110.70000
   58    56    57    33.00000  107.80000
   64    39    40    70.00000  124.00000
   64    43    44    37.50000  110.70000
   64    43    45    58.35000  112.70000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   51    48    49    58.35000  112.70000
   51    48    71    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    64   0.30250  1.0 1.0
   29    33    39    64  -0.14950 -1.0 2.0
   29    33    39    64   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    64    43   0.46850  1.0 1.0
   33    39    64    43   0.08550 -1.0 2.0
   33    39    64    43   0.09800  1.0 3.0
   33    39    64    56   0.46850  1.0 1.0
   33    39    64    56   0.08550 -1.0 2.0
   33    39    64    56   0.09800  1.0 3.0
   33    39    64    65   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    64   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    64   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -64    43   0.09850  1.0 1.0
   40    39   -64    43   0.15250 -1.0 2.0
   40    39   -64    43  -0.50650  1.0 3.0
   40    39    64    56   0.09850  1.0 1.0
   40    39    64    56   0.15250 -1.0 2.0
   40    39    64    56  -0.50650  1.0 3.0
   40    39    64    65   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    64  -0.46850  1.0 1.0
   40    42   -43    64   0.09300 -1.0 2.0
   40    42   -43    64  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43   -64    39   0.61850  1.0 1.0
   42    43   -64    39  -0.22750 -1.0 2.0
   42    43   -64    39   0.15300  1.0 3.0
   42    43    64    56   0.62750  1.0 1.0
   42    43    64    56  -0.30950 -1.0 2.0
   42    43    64    56   0.27300  1.0 3.0
   42    43    64    65   0.23400  1.0 3.0
   43    45    48    49   0.56750  1.0 1.0
   43    45    48    49  -0.07550 -1.0 2.0
   43    45    48    49   0.20000  1.0 3.0
   43    45    48    71   0.56750  1.0 1.0
   43    45    48    71  -0.07550 -1.0 2.0
   43    45    48    71   0.20000  1.0 3.0
   43    45    48    51   0.56750  1.0 1.0
   43    45    48    51  -0.07550 -1.0 2.0
   43    45    48    51   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    64    39   0.15000  1.0 3.0
   44    43    64    56   0.15000  1.0 3.0
   44    43    64    65   0.15000  1.0 3.0
   45    43    64    39   0.34400  1.0 1.0
   45    43    64    39   0.09450 -1.0 2.0
   45    43    64    39   0.11100  1.0 3.0
   45    43    64    56   0.56750  1.0 1.0
   45    43    64    56  -0.07550 -1.0 2.0
   45    43    64    56   0.20000  1.0 3.0
   45    43    64    65   0.15000  1.0 3.0
   45    48    49    50   0.15000  1.0 3.0
   45    48    49    55   0.34400  1.0 1.0
   45    48    49    55   0.09450 -1.0 2.0
   45    48    49    55   0.11100  1.0 3.0
   45    48   -49    56   0.56750  1.0 1.0
   45    48   -49    56  -0.07550 -1.0 2.0
   45    48   -49    56   0.20000  1.0 3.0
   45    48    71    66   0.56750  1.0 1.0
   45    48    71    66  -0.07550 -1.0 2.0
   45    48    71    66   0.20000  1.0 3.0
   45    48    71    72   0.15000  1.0 3.0
   45    48    71    73   0.86500  1.0 1.0
   45    48    71    73  -0.17500 -1.0 2.0
   45    48    71    73   0.20800  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48    51    54   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    71   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    71   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    49    55    59   0.46850  1.0 1.0
   48    49    55    59   0.08550 -1.0 2.0
   48    49    55    59   0.09800  1.0 3.0
   48    49    55    61   0.09850  1.0 1.0
   48    49    55    61   0.15250 -1.0 2.0
   48    49    55    61  -0.50650  1.0 3.0
   48    49    56    57   0.15000  1.0 3.0
   48    49    56    58   0.15000  1.0 3.0
   48    49    56    64   0.56750  1.0 1.0
   48    49    56    64  -0.07550 -1.0 2.0
   48    49    56    64   0.20000  1.0 3.0
   48    71    73    74  -0.11600  1.0 1.0
   48    71    73    74  -0.09450 -1.0 2.0
   48    71    73    74   0.21250  1.0 3.0
   49    48    71    66   0.56750  1.0 1.0
   49    48    71    66  -0.07550 -1.0 2.0
   49    48    71    66   0.20000  1.0 3.0
   49    48    71    72   0.15000  1.0 3.0
   49    48    71    73   0.86500  1.0 1.0
   49    48    71    73  -0.17500 -1.0 2.0
   49    48    71    73   0.20800  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   49    55    59    60   0.34800  1.0 3.0
   49    55   -59    66   0.46850  1.0 1.0
   49    55   -59    66   0.08550 -1.0 2.0
   49    55   -59    66   0.09800  1.0 3.0
   49    55    59    69   0.18000  1.0 1.0
   49    55    59    69   0.16450 -1.0 2.0
   49    55    59    69   0.04450  1.0 3.0
   49    55    61    62   7.00000 -1.0 2.0
   49    55    61    63   7.00000 -1.0 2.0
   49    56    64    39   0.34400  1.0 1.0
   49    56    64    39   0.09450 -1.0 2.0
   49    56    64    39   0.11100  1.0 3.0
   49    56   -64    43   0.56750  1.0 1.0
   49    56   -64    43  -0.07550 -1.0 2.0
   49    56   -64    43   0.20000  1.0 3.0
   49    56    64    65   0.15000  1.0 3.0
   50    49    55    59   0.34800  1.0 3.0
   50    49    55    61   0.00000  1.0 1.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    64   0.15000  1.0 3.0
   55    49    56    57   0.15000  1.0 3.0
   55    49    56    58   0.15000  1.0 3.0
   55    49    56    64   0.34400  1.0 1.0
   55    49    56    64   0.09450 -1.0 2.0
   55    49    56    64   0.11100  1.0 3.0
   55    59    66    67   0.15000  1.0 3.0
   55    59    66    68   0.15000  1.0 3.0
   55    59    66    71   0.34400  1.0 1.0
   55    59    66    71   0.09450 -1.0 2.0
   55    59    66    71   0.11100  1.0 3.0
   55    59    69    70  -0.07800  1.0 1.0
   55    59    69    70  -0.21500 -1.0 2.0
   55    59    69    70  -0.03150  1.0 3.0
   59    55    61    62   7.00000 -1.0 2.0
   59    55    61    63   7.00000 -1.0 2.0
   59    66   -71    48   0.56750  1.0 1.0
   59    66   -71    48  -0.07550 -1.0 2.0
   59    66   -71    48   0.20000  1.0 3.0
   59    66    71    72   0.15000  1.0 3.0
   59    66    71    73   0.86500  1.0 1.0
   59    66    71    73  -0.17500 -1.0 2.0
   59    66    71    73   0.20800  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    71   0.15000  1.0 3.0
   60    59    69    70   0.19450  1.0 3.0
   66    59    69    70  -0.11600  1.0 1.0
   66    59    69    70  -0.09450 -1.0 2.0
   66    59    69    70   0.21250  1.0 3.0
   66    71    73    74  -0.11600  1.0 1.0
   66    71    73    74  -0.09450 -1.0 2.0
   66    71    73    74   0.21250  1.0 3.0
   67    66    71    48   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.23400  1.0 3.0
   68    66    71    48   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.23400  1.0 3.0
   71    48    49    50   0.15000  1.0 3.0
   71    48   -49    55   0.34400  1.0 1.0
   71    48   -49    55   0.09450 -1.0 2.0
   71    48   -49    55   0.11100  1.0 3.0
   71    48    49    56   0.56750  1.0 1.0
   71    48    49    56  -0.07550 -1.0 2.0
   71    48    49    56   0.20000  1.0 3.0
   71    48    51    52   0.15000  1.0 3.0
   71    48    51    53   0.15000  1.0 3.0
   71    48    51    54   0.15000  1.0 3.0
   72    71    73    74   0.19450  1.0 3.0
   69    59    66    67   0.23400  1.0 3.0
   69    59    66    68   0.23400  1.0 3.0
   69    59    66    71   0.86500  1.0 1.0
   69    59    66    71  -0.17500 -1.0 2.0
   69    59    66    71   0.20800  1.0 3.0
   61    55    59    60   0.00000  1.0 1.0
   61    55    59    66   0.09850  1.0 1.0
   61    55    59    66   0.15250 -1.0 2.0
   61    55    59    66  -0.50650  1.0 3.0
   61    55    59    69   0.67800  1.0 1.0
   61    55    59    69   0.47050 -1.0 2.0
   61    55    59    69  -0.62500  1.0 3.0
   56    49    55    59   0.46850  1.0 1.0
   56    49    55    59   0.08550 -1.0 2.0
   56    49    55    59   0.09800  1.0 3.0
   56    49    55    61   0.09850  1.0 1.0
   56    49    55    61   0.15250 -1.0 2.0
   56    49    55    61  -0.50650  1.0 3.0
   57    56    64    39   0.15000  1.0 3.0
   57    56    64    43   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   58    56    64    39   0.15000  1.0 3.0
   58    56    64    43   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   64    39    40    41   7.00000 -1.0 2.0
   64    39   -40    42   7.00000 -1.0 2.0
   64    43    45    46   0.15000  1.0 3.0
   64    43    45    47   0.15000  1.0 3.0
   64    43   -45    48   0.56750  1.0 1.0
   64    43   -45    48  -0.07550 -1.0 2.0
   64    43   -45    48   0.20000  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    55   0.34400  1.0 1.0
   51    48    49    55   0.09450 -1.0 2.0
   51    48    49    55   0.11100  1.0 3.0
   51    48    49    56   0.56750  1.0 1.0
   51    48    49    56  -0.07550 -1.0 2.0
   51    48    49    56   0.20000  1.0 3.0
   51    48    71    66   0.56750  1.0 1.0
   51    48    71    66  -0.07550 -1.0 2.0
   51    48    71    66   0.20000  1.0 3.0
   51    48    71    72   0.15000  1.0 3.0
   51    48    71    73   0.86500  1.0 1.0
   51    48    71    73  -0.17500 -1.0 2.0
   51    48    71    73   0.20800  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
   33    64    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   49    59    55    61   1.10000 -1.0 2.0
   62    63    61    55   1.10000 -1.0 2.0
END
