* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    222     424
    1     0 S   NP   _N1_     1    28.02736    96.09276   -23.39392
    2     1 S   H    _HN1     2     1.02957    80.71281    -5.89927
    3     1 S   H    _H1_     3     1.02835    29.93773   145.65360
    4     1 S   H    _H2_     4     1.02776   103.94956  -112.63034
    5     1 S   CT   _CA1     5     1.50130   135.26557   103.76554
    6     5 S   HC   _HA1     6     1.09575   105.21565    80.04408
    7     5 S   CO3  _C1_     7     1.53788   112.36680   -40.14844
    8     7 S   O2Z  _O11     8     1.26366   114.99669   -43.80059
    9     7 S   O2Z  _O12     9     1.26236   114.93331   135.30373
   10     5 S   CT   _CB1    10     1.53097   107.42359  -162.04035
   11    10 S   HC   HB11    11     1.09827   109.33968   -50.47286
   12    10 S   HC   HB12    12     1.09816   110.42410    66.08704
   13    10 S   CT   _CG1    13     1.53015   112.66608  -171.54286
   14    13 S   HC   HG11    14     1.09595   110.48737   -64.27894
   15    13 S   HC   HG12    15     1.09657   109.92152    54.91732
   16    13 S   C    _CD1    16     1.51841   112.32920   175.29285
   17    16 S   O    _OE1    17     1.22747   123.29536     0.15577
   18    16 S   N    _N2_    18     1.38555   111.69041  -179.83568
   19    18 S   H    _HN2    19     1.01555   119.02842     4.52372
   20    18 S   CT1  _CA2    20     1.45865   122.91249   178.08419
   21    20 S   HC   _HA2    21     1.09717   108.95441    24.11834
   22    20 S   C    _C2_    22     1.52896   106.83018   -93.07611
   23    22 S   O    _O2_    23     1.22999   122.95689   -28.38766
   24    20 S   CT   _CB2    32     1.53161   112.16683   147.32457
   25    24 S   HC   HB21    33     1.09506   110.05910    55.46656
   26    24 S   HC   HB22    34     1.09534   110.19592   174.29676
   27    22 S   N    _N3_    24     1.38479   112.68708   154.37353
   28    27 S   H    _HN3    25     1.01667   120.39502    -1.85456
   29    24 S   S    _SG2    35     1.82587   111.15427   -65.72454
   30    27 S   CT   _CA3    26     1.45367   122.36810   178.71382
   31    30 S   HC   HA31    27     1.09569   107.68941   -58.20503
   32    30 S   HC   HA32    28     1.09569   107.69563    58.08361
   33    29 S   CT   _C12    36     1.84680    99.46195   178.26280
   34    33 S   HC   _H6_    37     1.09567   107.94699    35.63237
   35    30 S   CO3  _C3_    29     1.52869   114.43480   179.93439
   36    35 S   O2Z  _O31    30     1.26319   116.08902    -0.40686
   37    35 S   O2Z  _O32    31     1.26449   114.39403   179.58646
   38    33 S   CT   _C13    38     1.53542   107.90303   -83.27472
   39    38 S   HC   _H16    39     1.09468   109.04184    61.15165
   40    38 S   HC   _H17    40     1.09752   109.48197   -55.56117
   41    33 S   CT   _C11    56     1.53426   110.20172   155.73509
   42    41 S   HC   _H5_    57     1.10157   107.68746    57.76544
   43    38 S   CT   _C14    41     1.54207   112.86579  -177.29188
   44    43 S   HC   _H7_    42     1.09951   106.75044   -61.92198
   45    41 S   CO3  _C18    58     1.54697   116.28648   -60.90634
   46    45 S   O2Z  _O34    59     1.26268   116.27883   -23.78527
   47    45 S   O2Z  _O33    60     1.26540   114.51020   156.67828
   48    43 S   CT   _C7_    43     1.56064   110.21965    54.69115
   49    48 S   HC   _H3_    44     1.09808   108.58400    64.92741
   50    43 S   CT   _C15    65     1.56585   112.28595  -177.29774
   51    50 S   HC   _H18    66     1.09704   107.83382   176.30445
   52    48 S   CM   _C6_    45     1.51266   111.40669  -177.25035
   53    52 S   HC   _H11    46     1.08745   116.50048   -75.98504
   54    50 S   CT   _C16    67     1.53133   114.26585   -64.62004
   55    54 S   HC   _H19    68     1.09413   111.89272    63.46686
   56    54 S   HC   _H20    69     1.09337   111.70359   -58.22700
   57    54 S   HC   _H21    70     1.09591   110.31011  -177.11921
   58    50 S   CT   _C17    71     1.53447   112.12543    60.60295
   59    58 S   HC   _H22    72     1.09437   112.05954   -71.68918
   60    58 S   HC   _H23    73     1.09578   110.31704   168.89314
   61    58 S   HC   _H24    74     1.09486   110.98260    49.77849
   62    52 S   CM   _C5_    47     1.34370   124.27936   104.96699
   63    62 S   CT   _C10    48     1.50555   122.18108    -0.29074
   64    63 S   HC   _H14    49     1.09758   108.05572   112.80689
   65    63 S   HC   _H15    50     1.09662   109.90786  -130.90685
   66    62 S   CT   _C4_    61     1.50061   121.84078   178.94334
   67    66 S   HC   _H8_    62     1.09479   110.27763   119.92627
   68    66 S   HC   _H9_    63     1.09506   112.19549    -0.13706
   69    66 S   HC   _H10    64     1.09481   110.26928  -120.21749
   70    63 S   CT   _C9_    51     1.53272   114.45586    -8.49389
   71    70 S   HC   _H12    52     1.09514   107.71160   160.87165
   72    70 S   HC   _H13    53     1.09591   109.30856   -84.11346
   73    48 S   CT   _C8_    54     1.55445   112.62715   -52.46337
   74    73 S   HC   _H4_    55     1.10142   107.32152   169.10449
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   6   5  14   7  19   8   6   2   1  15
   7  11   8  12   4   7   3   2   1   3   2   1   1  11  11   6
   5   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    73    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    70    73    74    41    42    45    46    47    50  
   38    39    40    43    73    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    48    49    52    73    41    42    45    50    51    54    58  
   40    43    44    48    41    50  
   43    44    48    41    50  
   42    45    46    47    43    48    49    52    63    70    71    72    73    74  
   45    46    47    48    70    73    74  
   44    48    49    52    53    62    70    73    74    50    51    54    55    56    57    58    59    60    61  
   48    49    52    73    50    51    54    58  
   46    47    48    70    73    74  
   47    73  
   73  
   49    52    53    62    63    70    71    72    73    74    66    50    51    54    58  
   52    53    62    70    73    74    50  
   51    54    55    56    57    58    59    60    61    52    73  
   54    55    56    57    58    59    60    61  
   53    62    63    64    65    70    73    74    66    67    68    69  
   62    63    73    66  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    70    71    72    73    66    67    68    69  
   64    65    70    71    72    73    74    66    67    68    69  
   65    70    71    72    73    66  
   70    71    72    73    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    52   317.000  1.510
   48    73   268.000  1.529
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   317.000  1.510
   62    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    41   268.000  1.529
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   656.000  1.250
   45    47   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    58   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    73    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    70.00000  109.69300
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    48    58.35000  112.70000
   38    43    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    52    70.00000  112.02700
   43    48    73    58.35000  112.70000
   43    50    51    37.50000  110.70000
   43    50    54    58.35000  112.70000
   43    50    58    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    62    70.00000  124.00000
   48    73    70    58.35000  112.70000
   48    73    74    37.50000  110.70000
   48    73    41    58.35000  112.70000
   52    48    49    35.00000  109.50000
   52    62    63    70.00000  124.00000
   52    62    66    70.00000  124.00000
   62    52    53    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    70    70.00000  112.02700
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    41    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    48    49    37.50000  110.70000
   73    48    52    70.00000  112.02700
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    41    42    37.50000  110.70000
   73    41    45    70.00000  109.69300
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    73    74    37.50000  110.70000
   41    45    46    70.00000  117.00000
   41    45    47    70.00000  117.00000
   45    41    42    35.00000  109.50000
   47    45    46    80.00000  126.00000
   66    62    63    65.00000  117.92700
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    48    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   54    50    51    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    73   0.44750  1.0 1.0
   29    33    41    73  -0.17800 -1.0 2.0
   29    33    41    73   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    48   0.56750  1.0 1.0
   33    38    43    48  -0.07550 -1.0 2.0
   33    38    43    48   0.20000  1.0 3.0
   33    38    43    50   0.56750  1.0 1.0
   33    38    43    50  -0.07550 -1.0 2.0
   33    38    43    50   0.20000  1.0 3.0
   33    41    45    46   0.41150 -1.0 2.0
   33    41    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    73   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45  -0.11250  1.0 3.0
   38    33    41    73   0.56750  1.0 1.0
   38    33    41    73  -0.07550 -1.0 2.0
   38    33    41    73   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -1.63150  1.0 1.0
   38    33    41    45  -0.43550 -1.0 2.0
   38    33    41    45   0.24500  1.0 3.0
   38    43    48    49   0.15000  1.0 3.0
   38    43    48    52   0.34400  1.0 1.0
   38    43    48    52   0.09450 -1.0 2.0
   38    43    48    52   0.11100  1.0 3.0
   38    43   -48    73   0.56750  1.0 1.0
   38    43   -48    73  -0.07550 -1.0 2.0
   38    43   -48    73   0.20000  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    54   0.56750  1.0 1.0
   38    43    50    54  -0.07550 -1.0 2.0
   38    43    50    54   0.20000  1.0 3.0
   38    43    50    58   0.56750  1.0 1.0
   38    43    50    58  -0.07550 -1.0 2.0
   38    43    50    58   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    62   0.09850  1.0 1.0
   43    48    52    62   0.15250 -1.0 2.0
   43    48    52    62  -0.50650  1.0 3.0
   43    48    73    70   0.56750  1.0 1.0
   43    48    73    70  -0.07550 -1.0 2.0
   43    48    73    70   0.20000  1.0 3.0
   43    48    73    74   0.15000  1.0 3.0
   43    48    73    41   0.56750  1.0 1.0
   43    48    73    41  -0.07550 -1.0 2.0
   43    48    73    41   0.20000  1.0 3.0
   43    50    54    55   0.15000  1.0 3.0
   43    50    54    56   0.15000  1.0 3.0
   43    50    54    57   0.15000  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    60   0.15000  1.0 3.0
   43    50    58    61   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   44    43    48    73   0.15000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   44    43    50    58   0.15000  1.0 3.0
   48    43    50    51   0.15000  1.0 3.0
   48    43    50    54   0.56750  1.0 1.0
   48    43    50    54  -0.07550 -1.0 2.0
   48    43    50    54   0.20000  1.0 3.0
   48    43    50    58   0.56750  1.0 1.0
   48    43    50    58  -0.07550 -1.0 2.0
   48    43    50    58   0.20000  1.0 3.0
   48    52    62    63   7.00000 -1.0 2.0
   48    52    62    66   7.00000 -1.0 2.0
   48    73   -41    33   0.56750  1.0 1.0
   48    73   -41    33  -0.07550 -1.0 2.0
   48    73   -41    33   0.20000  1.0 3.0
   48    73    41    42   0.15000  1.0 3.0
   48    73    41    45  -1.63150  1.0 1.0
   48    73    41    45  -0.43550 -1.0 2.0
   48    73    41    45   0.24500  1.0 3.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    62   0.00000  1.0 1.0
   49    48    73    70   0.15000  1.0 3.0
   49    48    73    74   0.15000  1.0 3.0
   49    48    73    41   0.15000  1.0 3.0
   52    48    73    70   0.34400  1.0 1.0
   52    48    73    70   0.09450 -1.0 2.0
   52    48    73    70   0.11100  1.0 3.0
   52    48    73    74   0.15000  1.0 3.0
   52    48    73    41   0.34400  1.0 1.0
   52    48    73    41   0.09450 -1.0 2.0
   52    48    73    41   0.11100  1.0 3.0
   52    62    63    64   0.00000  1.0 1.0
   52    62    63    65   0.00000  1.0 1.0
   52    62   -63    70   0.09850  1.0 1.0
   52    62   -63    70   0.15250 -1.0 2.0
   52    62   -63    70  -0.50650  1.0 3.0
   52    62    66    67   0.00000  1.0 1.0
   52    62    66    68   0.00000  1.0 1.0
   52    62    66    69   0.00000  1.0 1.0
   53    52    62    63   7.00000 -1.0 2.0
   53    52    62    66   7.00000 -1.0 2.0
   62    63    70    71   0.15000  1.0 3.0
   62    63    70    72   0.15000  1.0 3.0
   62    63    70    73   0.34400  1.0 1.0
   62    63    70    73   0.09450 -1.0 2.0
   62    63    70    73   0.11100  1.0 3.0
   63    62    66    67   0.34800  1.0 3.0
   63    62    66    68   0.34800  1.0 3.0
   63    62    66    69   0.34800  1.0 3.0
   63    70   -73    48   0.56750  1.0 1.0
   63    70   -73    48  -0.07550 -1.0 2.0
   63    70   -73    48   0.20000  1.0 3.0
   63    70    73    74   0.15000  1.0 3.0
   63    70    73    41   0.56750  1.0 1.0
   63    70    73    41  -0.07550 -1.0 2.0
   63    70    73    41   0.20000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    73   0.15000  1.0 3.0
   70    73    41    33   0.56750  1.0 1.0
   70    73    41    33  -0.07550 -1.0 2.0
   70    73    41    33   0.20000  1.0 3.0
   70    73    41    42   0.15000  1.0 3.0
   70    73    41    45  -1.63150  1.0 1.0
   70    73    41    45  -0.43550 -1.0 2.0
   70    73    41    45   0.24500  1.0 3.0
   71    70    73    48   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    41   0.15000  1.0 3.0
   72    70    73    48   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    41   0.15000  1.0 3.0
   73    48    52    53   0.00000  1.0 1.0
   73    48   -52    62   0.09850  1.0 1.0
   73    48   -52    62   0.15250 -1.0 2.0
   73    48   -52    62  -0.50650  1.0 3.0
   73    41    45    46   0.41150 -1.0 2.0
   73    41    45    47   0.41150 -1.0 2.0
   74    73    41    33   0.15000  1.0 3.0
   74    73    41    42   0.15000  1.0 3.0
   74    73    41    45  -0.11250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    43   0.56750  1.0 1.0
   41    33   -38    43  -0.07550 -1.0 2.0
   41    33   -38    43   0.20000  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   66    62    63    64   0.34800  1.0 3.0
   66    62    63    65   0.34800  1.0 3.0
   66    62    63    70   0.46850  1.0 1.0
   66    62    63    70   0.08550 -1.0 2.0
   66    62    63    70   0.09800  1.0 3.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    52   0.34400  1.0 1.0
   50    43    48    52   0.09450 -1.0 2.0
   50    43    48    52   0.11100  1.0 3.0
   50    43    48    73   0.56750  1.0 1.0
   50    43    48    73  -0.07550 -1.0 2.0
   50    43    48    73   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    61   0.15000  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   48    53    52    62   1.10000 -1.0 2.0
   63    66    62    52   1.10000 -1.0 2.0
   46    41    45    47  10.50000 -1.0 2.0
END
