* LIGAND DATABASE FILE (OPLS2005)
*
001      66    69    119    201     350
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.80585    98.13950   161.76202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C13    37     1.52918   109.42443  -180.00000
   38    37 S   O    _O33    38     1.21706   128.01879   -62.41231
   39    33 S   NE   _N5_    49     1.45707   111.95317   -65.74075
   40    39 S   H    _H10    50     1.00908   125.05454    52.49350
   41    33 S   C5A  _C8_    51     1.48824   110.87561    57.71677
   42    37 S   CA   _C14    39     1.45864   107.95002   117.72123
   43    41 S   C5B  _C7_    52     1.34726   128.75383  -118.46364
   44    41 S   NA   _N4_    63     1.42023   120.23909    61.58162
   45    44 S   H    _H5_    64     1.01748   123.76508    -0.00000
   46    42 S   CA   _C15    40     1.37972   130.16982  -179.57204
   47    46 S   HA   _H7_    41     1.08265   122.06652     0.07133
   48    43 S   C56B _C6_    53     1.43608   107.02715  -180.00000
   49    43 S   OH   _O34    65     1.35408   131.43607     0.03956
   50    49 S   HO   _H11    66     0.97166   111.23590   179.93744
   51    46 S   CA   _C16    42     1.39439   116.84845  -179.76261
   52    51 S   HA   _H8_    43     1.08773   118.92035   180.00000
   53    48 S   CA   _C5_    54     1.33359   135.98464  -179.93147
   54    53 S   HA   _H4_    55     1.08272   122.73733     0.00000
   55    51 S   CA   _C17    44     1.40673   120.59019     0.16551
   56    55 S   Br   Br2_    45     1.89280   119.46879   179.68973
   57    53 S   CA   _C4_    56     1.44873   118.01790   179.96574
   58    57 S   HA   _H3_    57     1.08515   117.37881   179.96044
   59    55 S   CA   _C18    46     1.39960   120.96115    -0.17471
   60    59 S   HA   _H9_    47     1.08621   121.19000   179.52978
   61    57 S   CA   _C11    58     1.45595   122.69738     0.00000
   62    61 S   Br   Br1_    59     1.86674   117.59380  -179.91844
   63    42 S   CA   _C19    48     1.39176   106.07893     0.25564
   64    61 S   CA   _C10    60     1.34521   120.56902    -0.04846
   65    64 S   HA   _H6_    61     1.08400   123.39371  -179.97202
   66    48 S   C56A _C9_    62     1.48975   103.93002     0.02798
  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
  15   2   1   1  12   5  10   4  11   8  10   8   3   7   4  10
   3   1   6   3   7   4   4   3   6   3   2   1   4   3   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    63    39    40    41    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    59    63    39    40    41    43    48    66    44    45    49  
   35    36  
   36  
    0  
   38    42    46    47    51    59    63    39    40    41    43    44  
   42    46    63    39    41  
   40    41    43    44    42    46    55    59    60    63  
   41    42    59    63  
   43    48    53    64    66    44    45    49    50    42    63  
   46    47    51    52    55    59    60    63  
   48    53    54    57    64    66    44    45    49    50  
   45    49    48    53    61    64    65    66  
   48    64    66  
   47    51    52    55    56    59    63  
   51    52    55    63  
   53    54    57    58    61    64    65    66    49    50  
   50    53    66  
    0  
   52    55    56    59    60    63  
   55    56    59  
   54    57    58    61    62    64    66  
   57    58    61    66  
   56    59    60    63  
   59    60    63  
   58    61    62    64    65    66  
   61    62    64  
   60    63  
   63  
   62    64    65    66  
   64    65    66  
    0  
   65    66  
   66  
    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   0.482500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   40   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.031000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   45   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   49   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   57   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.247100   2.5000   1.7750   0.001000000  -0.843144165
   62   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   63   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.522
   33    39   382.000  1.448
   33    41   295.000  1.489
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    46   469.000  1.400
   42    63   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   300.000  1.903
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    39   481.000  1.340
   39    40   434.000  1.010
   41    43   520.000  1.370
   41    44   427.000  1.381
   43    48   380.000  1.440
   43    49   470.000  1.367
   48    53   469.000  1.404
   48    66   447.000  1.419
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   300.000  1.903
   61    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    44   428.000  1.380
   44    45   434.000  1.010
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    39    80.00000  108.62000
   29    33    41    80.00000  109.48900
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    39    63    50.00000  120.00000
   33    39    40    35.00000  112.50000
   33    41    43    55.00000  130.44200
   33    41    44    65.00000  122.56900
   37    42    46    60.00000  119.52600
   37    42    63    60.00000  119.52600
   42    37    38    75.00000  123.78400
   42    46    47    35.00000  120.00000
   42    46    51    63.00000  120.00000
   42    63    59    63.00000  120.00000
   42    63    39    70.00000  120.10000
   46    51    52    35.00000  120.00000
   46    51    55    63.00000  120.00000
   51    46    47    35.00000  120.00000
   51    55    56    75.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    63    63.00000  120.00000
   59    55    56    75.00000  120.00000
   59    63    39    70.00000  120.10000
   63    42    46    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    39    40    35.00000  113.50000
   39    33    37    80.00000  111.64100
   41    33    37    75.00000  110.95000
   41    33    39    75.00000  112.06000
   41    43    48    80.00000  105.82900
   41    43    49    75.00000  125.46000
   41    44    66    90.00000  107.14200
   41    44    45    35.00000  120.00000
   43    48    53    50.00000  134.85500
   43    48    66    80.00000  107.43600
   43    49    50    70.00000  107.72000
   48    53    54    35.00000  120.00000
   48    53    57    63.00000  120.00000
   48    66    64    85.00000  122.70000
   48    66    44    70.00000  104.40000
   53    57    58    35.00000  120.00000
   53    57    61    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    61    62    75.00000  120.00000
   57    61    64    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    66    85.00000  120.00000
   64    61    62    75.00000  120.00000
   64    66    44    70.00000  132.80000
   66    48    53    85.00000  116.20000
   66    64    65    35.00000  120.00000
   66    44    45    35.00000  123.10000
   44    41    43    70.00000  106.30000
   49    43    48    70.00000  120.00000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41  -0.23050  1.0 1.0
   24    29    33    41   0.06200 -1.0 2.0
   24    29    33    41   0.47200  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    39    63  -0.12500  1.0 1.0
   29    33    39    63  -0.12500 -1.0 2.0
   29    33    39    63   0.25000  1.0 3.0
   29    33    39    40  -0.12500  1.0 1.0
   29    33    39    40  -0.12500 -1.0 2.0
   29    33    39    40   0.25000  1.0 3.0
   29    33    41    43  -0.16000  1.0 1.0
   29    33    41    43  -0.03200 -1.0 2.0
   29    33    41    43   0.04500  1.0 3.0
   29    33    41    44   0.04300 -1.0 2.0
   33    37    42    46   2.26350  1.0 1.0
   33    37    42    46   0.76750 -1.0 2.0
   33    37    42    46   0.22500  1.0 3.0
   33    37   -42    63   2.26350  1.0 1.0
   33    37   -42    63   0.76750 -1.0 2.0
   33    37   -42    63   0.22500  1.0 3.0
   33    41    43    48   3.62500 -1.0 2.0
   33    41    43    49   3.62500 -1.0 2.0
   33    41    44    66   3.62500 -1.0 2.0
   33    41    44    45   2.00000 -1.0 2.0
   37    33   -39    63  -0.12500  1.0 1.0
   37    33   -39    63  -0.12500 -1.0 2.0
   37    33   -39    63   0.25000  1.0 3.0
   37    33    39    40  -0.12500  1.0 1.0
   37    33    39    40  -0.12500 -1.0 2.0
   37    33    39    40   0.25000  1.0 3.0
   37    33    41    43   0.04300 -1.0 2.0
   37    33    41    44   0.04300 -1.0 2.0
   37    42    46    47   3.62500 -1.0 2.0
   37    42    46    51   3.62500 -1.0 2.0
   37    42    63    59   3.62500 -1.0 2.0
   37    42   -63    39   3.62500 -1.0 2.0
   38    37    42    46   1.05000 -1.0 2.0
   38    37    42    63   1.05000 -1.0 2.0
   42    46    51    52   3.62500 -1.0 2.0
   42    46    51    55   3.62500 -1.0 2.0
   42    63   -39    33  -1.00000  1.0 1.0
   42    63   -39    33   1.25000 -1.0 2.0
   42    63    39    40   1.00000 -1.0 2.0
   46    42    63    59   3.62500 -1.0 2.0
   46    42    63    39   3.62500 -1.0 2.0
   46    51    55    56   3.62500 -1.0 2.0
   46    51   -55    59   3.62500 -1.0 2.0
   47    46    51    52   3.62500 -1.0 2.0
   47    46    51    55   3.62500 -1.0 2.0
   51    55    59    60   3.62500 -1.0 2.0
   51    55    59    63   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    59   -63    42   3.62500 -1.0 2.0
   55    59    63    39   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    63   3.62500 -1.0 2.0
   59    63    39    33  -1.00000  1.0 1.0
   59    63    39    33   1.25000 -1.0 2.0
   59    63    39    40   1.00000 -1.0 2.0
   60    59    63    42   3.62500 -1.0 2.0
   60    59    63    39   3.62500 -1.0 2.0
   63    42    46    47   3.62500 -1.0 2.0
   63    42   -46    51   3.62500 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    42   0.65300  1.0 1.0
   39    33   -37    42  -0.03850 -1.0 2.0
   39    33   -37    42   0.33900  1.0 3.0
   39    33    41    43  -0.06000  1.0 1.0
   39    33    41    43   0.30500 -1.0 2.0
   39    33    41    43   0.09200  1.0 3.0
   39    33    41    44   0.04300 -1.0 2.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    42   0.65300  1.0 1.0
   41    33    37    42  -0.03850 -1.0 2.0
   41    33    37    42   0.33900  1.0 3.0
   41    33    39    63  -0.82250  1.0 1.0
   41    33    39    63   0.55550 -1.0 2.0
   41    33    39    63   0.36950  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    43    48    53   3.62500 -1.0 2.0
   41    43   -48    66   3.50000 -1.0 2.0
   41    43    49    50   0.84100 -1.0 2.0
   43    41   -44    66   3.62500 -1.0 2.0
   43    41    44    45   1.40000 -1.0 2.0
   43    48    53    54   3.62500 -1.0 2.0
   43    48    53    57   3.62500 -1.0 2.0
   43    48    66    64   3.00000 -1.0 2.0
   43    48   -66    44   3.00000 -1.0 2.0
   48    43    49    50   0.84100 -1.0 2.0
   48    53    57    58   3.62500 -1.0 2.0
   48    53    57    61   3.62500 -1.0 2.0
   48    66   -44    41   3.62500 -1.0 2.0
   48    66    44    45   1.52500 -1.0 2.0
   53    48    66    64   3.00000 -1.0 2.0
   53    48    66    44   3.00000 -1.0 2.0
   53    57    61    62   3.62500 -1.0 2.0
   53    57   -61    64   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    61   3.62500 -1.0 2.0
   57    61    64    65   3.62500 -1.0 2.0
   57    61    64    66   3.62500 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   61    64   -66    48   3.62500 -1.0 2.0
   61    64    66    44   3.62500 -1.0 2.0
   62    61    64    65   3.62500 -1.0 2.0
   62    61    64    66   3.62500 -1.0 2.0
   64    66    44    41   3.62500 -1.0 2.0
   64    66    44    45   1.52500 -1.0 2.0
   65    64    66    48   3.62500 -1.0 2.0
   65    64    66    44   3.62500 -1.0 2.0
   66    48    53    54   3.50000 -1.0 2.0
   66    48   -53    57   3.50000 -1.0 2.0
   44    41   -43    48   3.62500 -1.0 2.0
   44    41    43    49   3.62500 -1.0 2.0
   49    43    48    53   3.62500 -1.0 2.0
   49    43    48    66   3.62500 -1.0 2.0
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
   33    42    37    38  10.50000 -1.0 2.0
   46    63    42    37   4.00000 -1.0 2.0
   51    47    46    42   1.10000 -1.0 2.0
   55    52    51    46   1.10000 -1.0 2.0
   59    56    55    51   4.00000 -1.0 2.0
   63    60    59    55   1.10000 -1.0 2.0
   59    39    63    42   4.00000 -1.0 2.0
   40    63    39    33   1.00000 -1.0 2.0
   43    44    41    33   4.00000 -1.0 2.0
   48    49    43    41   4.00000 -1.0 2.0
   53    66    48    43   4.00000 -1.0 2.0
   57    54    53    48   1.10000 -1.0 2.0
   61    58    57    53   1.10000 -1.0 2.0
   64    62    61    57   4.00000 -1.0 2.0
   66    65    64    61   1.10000 -1.0 2.0
   64    44    66    48   4.00000 -1.0 2.0
   45    41    44    66   1.00000 -1.0 2.0
END
