* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    134    207     385
    1     0 S   NP   _N1_     1    28.72877    97.36851   -23.06056
    2     1 S   H    _HN1     2     1.02946    65.00726     9.29940
    3     1 S   H    _H1_     3     1.02825    44.98694   166.93343
    4     1 S   H    _H2_     4     1.02794   106.26459   -93.80093
    5     1 S   CT   _CA1     5     1.50136   140.19334   101.65262
    6     5 S   HC   _HA1     6     1.09574   105.13924   102.63314
    7     5 S   CO3  _C1_     7     1.53760   112.52525   -17.53396
    8     7 S   O2Z  _O11     8     1.26376   114.99715   -40.92995
    9     7 S   O2Z  _O12     9     1.26238   114.94291   138.06797
   10     5 S   CT   _CB1    10     1.53055   107.39604  -139.39612
   11    10 S   HC   HB11    11     1.09843   109.28342   -49.25177
   12    10 S   HC   HB12    12     1.09810   110.48401    67.33153
   13    10 S   CT   _CG1    13     1.53028   112.67279  -170.19121
   14    13 S   HC   HG11    14     1.09564   110.75843   -68.55498
   15    13 S   HC   HG12    15     1.09671   109.66928    50.69953
   16    13 S   C    _CD1    16     1.51814   111.92332   171.17506
   17    16 S   O    _OE1    17     1.22756   123.15343    14.24742
   18    16 S   N    _N2_    18     1.38651   111.87178  -165.74062
   19    18 S   H    _HN2    19     1.01571   118.95714     0.79819
   20    18 S   CT1  _CA2    20     1.46194   123.33049   175.74803
   21    20 S   HC   _HA2    21     1.09749   109.33901     7.40348
   22    20 S   C    _C2_    22     1.53682   108.71838  -108.08180
   23    22 S   O    _O2_    23     1.23081   122.22132  -148.18379
   24    20 S   CT   _CB2    32     1.53419   111.76036   129.47783
   25    24 S   HC   HB21    33     1.09527   109.86355    56.35447
   26    24 S   HC   HB22    34     1.09367   109.58532   175.12275
   27    22 S   N    _N3_    24     1.38303   113.85580    39.19041
   28    27 S   H    _HN3    25     1.01544   119.62555    -2.89624
   29    24 S   S    _SG2    35     1.82891   111.25742   -64.31026
   30    27 S   CT   _CA3    26     1.45286   123.32667   177.33758
   31    30 S   HC   HA31    27     1.09545   107.46551   -66.12831
   32    30 S   HC   HA32    28     1.09555   108.05837    50.34972
   33    29 S   CT   _C9_    36     1.86048   101.59135  -169.72678
   34    30 S   CO3  _C3_    29     1.52992   114.01671   172.38640
   35    34 S   O2Z  _O31    30     1.26389   116.07945    -0.56786
   36    34 S   O2Z  _O32    31     1.26427   114.41913   179.50981
   37    33 S   CT   _C8_    37     1.56563   110.71791   -49.45241
   38    37 S   HC   _H8_    38     1.09547   113.08843    80.21078
   39    37 S   HC   _H9_    39     1.09796   110.75177   -41.14434
   40    33 S   SZ   _S1_    61     1.89814   109.00034    69.18971
   41    40 S   OZ   _O36    62     1.50046   107.87210   170.09186
   42    37 S   C4T  _C7_    40     1.52840   104.36525  -159.48884
   43    42 S   HC   _H3_    41     1.09559   114.29608   -90.21967
   44    40 S   CM   _C13    63     1.78892    98.95696    60.92677
   45    44 S   HC   _H10    64     1.08509   121.61098    73.32445
   46    42 S   C4M  _C6_    42     1.51037   121.51420   123.04550
   47    42 S   N4   _N4_    45     1.46255   102.11753    31.06909
   48    44 S   CM   _C14    65     1.33875   117.72270  -108.22272
   49    48 S   HC   _H11    66     1.08595   122.01730     0.52638
   50    46 S   C4   _C11    43     1.46740    88.68754  -102.45442
   51    50 S   O    _O33    44     1.21363   135.04306   175.70518
   52    33 S   CT1  _C10    46     1.56406   115.10391  -166.40202
   53    52 S   HC   _H4_    47     1.09488   112.07171  -102.07969
   54    46 S   CM   _C5_    51     1.34133   136.07445    77.12072
   55    48 S   N    _N5_    67     1.37234   122.07476  -179.92867
   56    55 S   H    _H12    68     1.01663   117.61481    -0.10835
   57    52 S   CO3  _C12    48     1.54434   116.51317    22.80015
   58    57 S   O2Z  _O35    49     1.26342   116.16262    57.46802
   59    57 S   O2Z  _O34    50     1.26507   114.39422  -122.49665
   60    54 S   CT   _C4_    52     1.50574   123.28641  -179.91844
   61    60 S   HC   _H5_    53     1.09472   110.46468   118.35213
   62    60 S   HC   _H6_    54     1.09341   112.60950    -1.88668
   63    60 S   HC   _H7_    55     1.09500   110.17999  -121.85675
   64    54 S   CT   _C17    56     1.50761   121.87496     0.79942
   65    64 S   HC   _H16    57     1.09481   111.95359     4.48288
   66    64 S   HC   _H17    58     1.09513   110.25722   124.86833
   67    55 S   C    _C15    69     1.38703   123.46969  -179.72446
   68    67 S   O    _O37    70     1.22825   126.05298    -0.84372
   69    64 S   OH   _O38    59     1.42083   109.44555  -115.36372
   70    69 S   HO   _H18    60     0.97217   107.02527  -179.20009
   71    67 S   CT   _C16    71     1.50558   112.09423   179.73980
   72    71 S   HC   _H13    72     1.09350   109.61063    66.99285
   73    71 S   HC   _H14    73     1.09376   110.09459   -53.53612
   74    71 S   HC   _H15    74     1.09350   109.72247  -173.20148
  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  12   5   4   3
  18   2   1   1  14   7   6  11   4  11   5   7   3  13   8   6
   3   7   2   4   3   9   7   3   2   1   1   7   3   2   1   4
   3   2   5   4   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    47    52    53    57    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    50    47    52    53    57    58    59    40    41    44    45    48  
   35    36  
   36  
    0  
   38    39    42    43    46    50    47    52    53    57    54    40    41    44  
   39    42    43    46    47    52    40  
   42    43    46    47    52    40  
   41    44    45    48    49    55    42    47    52    53    57  
   44    45    48    52  
   43    46    50    51    47    52    53    57    54    60    64  
   46    50    47    52    54  
   45    48    49    55    56    67    52  
   48    49    55  
   50    51    47    52    54    60    61    62    63    64    65    66    69  
   52    53    57    58    59    54    50    51  
   49    55    56    67    68    71  
   55    56    67  
   51    52    53    57    54    60    64  
   52    54  
   53    57    58    59  
   57    58    59  
   60    61    62    63    64    65    66    69    70  
   56    67    68    71    72    73    74  
   67    68    71  
   58    59  
   59  
    0  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64  
   64  
   65    66    69    70  
   66    69    70  
   69    70  
   68    71    72    73    74  
   71    72    73    74  
   70  
    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   0.312500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5600   0.3950   0.307500   2.0080   1.7800   0.025682759  -1.666211680
   41   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   42   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   48   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   340.000  1.853
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   260.000  1.519
   42    43   340.000  1.090
   42    46   275.000  1.517
   42    47   305.000  1.456
   46    50   410.000  1.444
   46    54   545.000  1.340
   50    51   930.000  1.212
   50    47   440.000  1.369
   47    52   337.000  1.449
   52    53   340.000  1.090
   52    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  1.250
   54    60   317.000  1.510
   54    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   553.000  0.945
   40    41   700.000  1.530
   40    44   205.000  1.810
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    49   340.000  1.080
   48    55   400.000  1.384
   55    56   434.000  1.010
   55    67   490.000  1.335
   67    68   570.000  1.229
   67    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  118.00000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    70.00000  112.98000
   33    52    47    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    57    63.00000  111.10000
   33    40    41    74.00000  107.00000
   33    40    44   100.00000   93.60000
   37    42    43    45.00000  112.72800
   37    42    46    70.00000  112.02700
   37    42    47    80.00000  110.05700
   39    37    38    33.00000  107.80000
   42    37    38    45.00000  111.22300
   42    37    39    45.00000  111.22300
   42    46    50    85.00000   95.00000
   42    46    54    70.00000  124.00000
   42    47    50   100.00000   93.00000
   42    47    52    50.00000  132.70000
   46    42    43    40.00000  115.44000
   46    50    51    80.00000  125.30000
   46    50    47   100.00000   92.00000
   46    54    60    70.00000  124.00000
   46    54    64    70.00000  124.00000
   50    47    52    50.00000  132.10000
   47    42    43    50.00000  112.01000
   47    42    46    80.00000   90.00000
   47    50    51    75.00000  131.60000
   47    52    53    35.00000  109.50000
   47    52    57    63.00000  110.10000
   52    33    37    58.35000  112.70000
   52    57    58    70.00000  117.00000
   52    57    59    70.00000  117.00000
   57    52    53    35.00000  109.50000
   59    57    58    80.00000  126.00000
   54    46    50    70.00000  118.70000
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    63    35.00000  109.50000
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    69    90.00000  110.39200
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    54    60    65.00000  117.92700
   64    69    70    55.00000  108.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   40    33    37    75.00000  107.60000
   40    33    52    75.00000  107.60000
   40    44    45    40.00000  114.00000
   40    44    48    65.00000  118.19300
   44    40    41   100.00000  107.42000
   44    48    49    35.00000  120.00000
   44    48    55    75.00000  120.83300
   48    44    45    35.00000  120.00000
   48    55    56    45.00000  117.55000
   48    55    67    70.00000  120.89900
   55    48    49    45.00000  111.09300
   55    67    68    80.00000  122.90000
   55    67    71    70.00000  116.60000
   67    55    56    35.00000  119.80000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   71    67    68    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    52    47   0.71400  1.0 1.0
   29    33    52    47   0.04300 -1.0 2.0
   29    33    52    47   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    57  -2.17200  1.0 1.0
   29    33    52    57  -0.85700 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.00000  1.0 1.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.34400  1.0 1.0
   33    37    42    46   0.09450 -1.0 2.0
   33    37    42    46   0.11100  1.0 3.0
   33    37   -42    47   0.43900  1.0 1.0
   33    37   -42    47   0.49100 -1.0 2.0
   33    37   -42    47   0.28400  1.0 3.0
   33    52    57    58   0.00000  1.0 1.0
   33    52    57    59   0.00000  1.0 1.0
   33    40    44    45   1.00000 -1.0 2.0
   33    40    44    48   1.00000 -1.0 2.0
   37    33   -52    47   0.42250  1.0 1.0
   37    33   -52    47  -0.48100 -1.0 2.0
   37    33   -52    47   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    57  -0.84850  1.0 1.0
   37    33    52    57  -0.22800 -1.0 2.0
   37    33    52    57   0.29250  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    44   0.00000  1.0 1.0
   37    42    46    50   0.09700  1.0 1.0
   37    42    46    50   0.15600 -1.0 2.0
   37    42    46    50  -0.50800  1.0 3.0
   37    42    46    54   0.09850  1.0 1.0
   37    42    46    54   0.15250 -1.0 2.0
   37    42    46    54  -0.50650  1.0 3.0
   37    42   -47    50   0.00000  1.0 1.0
   37    42   -47    52   0.00000  1.0 1.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    46   0.15000  1.0 3.0
   39    37    42    47   0.15000  1.0 3.0
   42    46    50    51  -0.64400  1.0 1.0
   42    46    50    51   0.26850 -1.0 2.0
   42    46   -50    47   0.00000  1.0 1.0
   42    46    54    60   7.00000 -1.0 2.0
   42    46    54    64   7.00000 -1.0 2.0
   42    47   -52    33   0.00000  1.0 1.0
   42    47    52    53   0.00000  1.0 1.0
   42    47    52    57   0.00000  1.0 1.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    54   0.00000  1.0 1.0
   43    42   -47    50   0.00000  1.0 1.0
   43    42    47    52   0.00000  1.0 1.0
   46    42   -47    50   0.00000  1.0 1.0
   46    42    47    52   0.00000  1.0 1.0
   46    50   -47    42   0.00000  1.0 1.0
   46    50   -47    52   3.00000 -1.0 2.0
   46    54    60    61   0.00000  1.0 1.0
   46    54    60    62   0.00000  1.0 1.0
   46    54    60    63   0.00000  1.0 1.0
   46    54    64    65   0.00000  1.0 1.0
   46    54    64    66   0.00000  1.0 1.0
   46    54    64    69   0.67800  1.0 1.0
   46    54    64    69   0.47050 -1.0 2.0
   46    54    64    69  -0.62500  1.0 3.0
   50    46    54    60   7.00000 -1.0 2.0
   50    46    54    64   7.00000 -1.0 2.0
   50    47    52    33   0.00000  1.0 1.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    57   0.00000  1.0 1.0
   51    50   -47    42   3.00000 -1.0 2.0
   51    50    47    52   3.00000 -1.0 2.0
   47    42   -46    50   0.00000  1.0 1.0
   47    42    46    54   0.62150  1.0 1.0
   47    42    46    54   0.42850 -1.0 2.0
   47    42    46    54  -0.68200  1.0 3.0
   47    52    57    58   0.00000  1.0 1.0
   47    52    57    59   0.00000  1.0 1.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    42   0.31550 -1.0 2.0
   52    33   -37    42   0.11250  1.0 3.0
   52    33    40    41   0.00000  1.0 1.0
   52    33    40    44   0.00000  1.0 1.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    59   0.00000  1.0 1.0
   54    46    50    51   1.00000 -1.0 2.0
   54    46   -50    47   0.49500  1.0 1.0
   54    46   -50    47   1.31600 -1.0 2.0
   54    46   -50    47  -0.02300  1.0 3.0
   54    64    69    70  -0.07800  1.0 1.0
   54    64    69    70  -0.21500 -1.0 2.0
   54    64    69    70  -0.03150  1.0 3.0
   60    54    64    65   0.34800  1.0 3.0
   60    54    64    66   0.34800  1.0 3.0
   60    54    64    69   0.18000  1.0 1.0
   60    54    64    69   0.16450 -1.0 2.0
   60    54    64    69   0.04450  1.0 3.0
   64    54    60    61   0.34800  1.0 3.0
   64    54    60    62   0.34800  1.0 3.0
   64    54    60    63   0.34800  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70   0.19450  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    52    47   0.56750  1.0 1.0
   40    33    52    47  -0.07550 -1.0 2.0
   40    33    52    47   0.20000  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    57   0.56750  1.0 1.0
   40    33    52    57  -0.07550 -1.0 2.0
   40    33    52    57   0.20000  1.0 3.0
   40    44    48    49   7.00000 -1.0 2.0
   40    44    48    55   7.00000 -1.0 2.0
   41    40    44    45   1.00000 -1.0 2.0
   41    40    44    48   1.00000 -1.0 2.0
   44    48    55    56   0.78350 -1.0 2.0
   44    48    55    67  -0.18900  1.0 1.0
   44    48    55    67   1.70900 -1.0 2.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    55   7.00000 -1.0 2.0
   48    55    67    68   2.67200 -1.0 2.0
   48    55    67    71   0.67100  1.0 1.0
   48    55    67    71   1.42150 -1.0 2.0
   48    55    67    71   0.18700  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    67   1.44600  1.0 1.0
   55    67    71    72   0.00000  1.0 1.0
   55    67    71    73   0.00000  1.0 1.0
   55    67    71    74   0.00000  1.0 1.0
   56    55    67    68   2.45000 -1.0 2.0
   56    55    67    71   2.45000 -1.0 2.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   42    50    46    54   1.10000 -1.0 2.0
   46    47    50    51  10.50000 -1.0 2.0
   52    50    47    42   1.00000 -1.0 2.0
   58    52    57    59  10.50000 -1.0 2.0
   60    64    54    46   1.10000 -1.0 2.0
   40    45    44    48  15.00000 -1.0 2.0
   55    49    48    44  15.00000 -1.0 2.0
   56    67    55    48   1.00000 -1.0 2.0
   55    71    67    68  10.50000 -1.0 2.0
END
