* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    132    194     376
    1     0 S   NP   _N1_     1    28.89960    93.12416   -24.02671
    2     1 S   H    _HN1     2     1.02952    90.12427     9.73442
    3     1 S   H    _H1_     3     1.02830    19.26225   161.77572
    4     1 S   H    _H2_     4     1.02781   105.89858   -99.41777
    5     1 S   CT   _CA1     5     1.50110   126.91960   125.69519
    6     5 S   HC   _HA1     6     1.09565   105.23522    71.26136
    7     5 S   CO3  _C1_     7     1.53760   112.42500   -49.08787
    8     7 S   O2Z  _O11     8     1.26378   115.01280   -42.35909
    9     7 S   O2Z  _O12     9     1.26223   114.96112   136.88014
   10     5 S   CT   _CB1    10     1.53065   107.44244  -170.64027
   11    10 S   HC   HB11    11     1.09829   109.45560   -48.91042
   12    10 S   HC   HB12    12     1.09822   110.38589    67.70625
   13    10 S   CT   _CG1    13     1.53008   112.64735  -169.89271
   14    13 S   HC   HG11    14     1.09583   110.60239   -63.61568
   15    13 S   HC   HG12    15     1.09656   109.89786    55.66298
   16    13 S   C    _CD1    16     1.51791   112.16301   176.09565
   17    16 S   O    _OE1    17     1.22742   123.25782     3.11728
   18    16 S   N    _N2_    18     1.38650   111.71838  -177.13802
   19    18 S   H    _HN2    19     1.01594   119.03689     1.92427
   20    18 S   CT1  _CA2    20     1.46209   123.26645   179.59700
   21    20 S   HC   _HA2    21     1.09738   109.28659    -3.28402
   22    20 S   C    _C2_    22     1.53421   108.74873  -118.83464
   23    22 S   O    _O2_    23     1.23047   122.25172  -149.04717
   24    20 S   CT   _CB2    32     1.53364   111.63074   118.50781
   25    24 S   HC   HB21    33     1.09583   110.00783    58.13896
   26    24 S   HC   HB22    34     1.09525   110.30554   177.28646
   27    22 S   N    _N3_    24     1.38326   113.61673    38.46334
   28    27 S   H    _HN3    25     1.01619   119.52175    -3.62812
   29    24 S   S    _SG2    35     1.82451   111.51126   -62.59021
   30    27 S   CT   _CA3    26     1.45289   123.17211   176.97839
   31    30 S   HC   HA31    27     1.09551   107.53007   -63.90765
   32    30 S   HC   HA32    28     1.09557   107.95133    52.51169
   33    29 S   CT   _C18    36     1.81709    99.19709  -178.30823
   34    33 S   F    F2__    37     1.35983   110.49197   -43.67561
   35    33 S   HC   _H4_    38     1.09310   108.68324    74.51890
   36    30 S   CO3  _C3_    29     1.52947   114.10845   174.49565
   37    36 S   O2Z  _O31    30     1.26373   116.05306    -0.60587
   38    36 S   O2Z  _O32    31     1.26428   114.41653   179.45571
   39    33 S   N    _N5_    39     1.45365   110.58021  -165.09344
   40    39 S   CDX  _C16    40     1.34629   129.16148   -95.59882
   41    40 S   NI   _N6_    41     1.29923   114.81043   174.48943
   42    40 S   CT   _C17    71     1.49203   122.10265    -5.43999
   43    42 S   HC   _H14    72     1.09356   109.55444   -61.69230
   44    42 S   HC   _H15    73     1.09316   110.41235   178.09659
   45    42 S   HC   _H16    74     1.09337   109.84547    57.66370
   46    41 S   N    _N4_    42     1.37260   104.79707    -0.52563
   47    46 S   CA   _C11    43     1.41341   120.52056  -177.64632
   48    39 S   C    _C15    69     1.38603   124.58943    76.79275
   49    48 S   O    _O35    70     1.22267   126.24640     3.76582
   50    47 S   CA   _C10    44     1.40326   121.10850  -176.69933
   51    50 S   HA   _H12    45     1.08615   120.54091     2.27038
   52    50 S   CA   _C9_    46     1.41073   122.17218  -177.32922
   53    52 S   CA   _C14    47     1.40193   118.54292    -0.31959
   54    53 S   Cl   Cl1_    48     1.72794   122.09213   178.53233
   55    52 S   CT   _C8_    53     1.51617   118.52523   178.11758
   56    55 S   HC   _H10    54     1.09687   108.78549   145.16855
   57    55 S   HC   _H11    55     1.09885   109.01831    31.53511
   58    53 S   CA   _C13    49     1.39387   120.23425    -1.13246
   59    58 S   HA   _H13    50     1.08694   120.98265  -179.56614
   60    55 S   CT   _C7_    56     1.53156   112.48605   -91.30564
   61    60 S   Cl   Cl2_    57     1.79150   109.65118  -161.11568
   62    60 S   HC   _H3_    58     1.09464   112.73555   -43.59734
   63    47 S   CA   _C12    51     1.40145   121.57620     4.34812
   64    63 S   F    F1__    52     1.34190   121.20283    -1.41665
   65    60 S   CO4  _C6_    59     1.51774   111.25504    80.32903
   66    65 S   O    _O34    60     1.22434   125.11893    84.19772
   67    65 S   OS   _O33    61     1.36636   109.50629   -93.52924
   68    67 S   CT   _C5_    62     1.43594   115.41517   176.92203
   69    68 S   HC   _H8_    63     1.09558   109.83244   -54.27810
   70    68 S   HC   _H9_    64     1.09451   109.10549    65.89746
   71    68 S   CT   _C4_    65     1.51556   108.36608  -174.11790
   72    71 S   HC   _H5_    66     1.09490   110.61214   -59.11931
   73    71 S   HC   _H6_    67     1.09495   110.61952    59.13438
   74    71 S   HC   _H7_    68     1.09354   110.92496   179.98022
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
   9   4   3   2   1   1  10   9  10   5   2   1   1   9  11   3
   1  11   4  12   9   4   9   5   4   3   2   6   4   3   1   1
   6   2   7   6   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    46    47    48    49    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    50    63    48    49    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    50    51    52    58    63    64    48    49  
   50    51    52    53    58    59    63    64    55    48    49  
   49    50    63  
    0  
   51    52    53    54    58    63    64    55    56    57    60  
   52    53    63    55  
   53    54    58    59    63    55    56    57    60    61    62    65  
   54    58    59    63    64    55    56    57    60  
   58    59    63    55  
   56    57    60    61    62    65    66    67    58  
   57    60    61    62    65  
   60    61    62    65  
   59    63    64  
   63    64  
   61    62    65    66    67    68  
   62    65    66    67  
   65    66    67  
   64  
    0  
   66    67    68    69    70    71  
   67    68  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71    72    73    74  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.2500   0.1700  -0.367500   1.8100   1.6000   0.054801302  -1.445846770
   40   3.7500   0.1050   0.481500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.2800   0.1700  -0.359000   1.8540   1.6400   0.005000000   0.000000000
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.207500   1.8100   1.6000   0.054801302  -1.445846770
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.861300   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   62   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   340.000  1.090
   33    39   337.000  1.449
   39    40   400.000  1.380
   39    48   490.000  1.335
   40    41   650.000  1.285
   40    42   260.000  1.508
   41    46   305.000  1.341
   46    47   360.000  1.404
   46    48   490.000  1.335
   47    50   469.000  1.400
   47    63   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   300.000  1.725
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   420.000  1.354
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   245.000  1.781
   60    62   340.000  1.090
   60    65   317.000  1.522
   65    66   570.000  1.229
   65    67   214.000  1.327
   67    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   48    49   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    35.00000  109.50000
   29    33    39    80.00000  108.62000
   33    39    40    70.00000  118.08000
   33    39    48    50.00000  121.90000
   35    33    34    40.00000  107.00000
   39    33    34    95.00000  109.00000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  119.04400
   39    40    42    70.00000  106.88000
   39    48    46    90.00000  111.91700
   39    48    49    80.00000  122.90000
   40    41    46   110.00000  108.05000
   40    42    43    45.00000  109.58200
   40    42    44    45.00000  109.58200
   40    42    45    45.00000  109.58200
   41    46    47    75.00000  123.91000
   41    46    48    75.00000  121.16600
   46    47    50    70.00000  119.01900
   46    47    63    70.00000  119.01900
   46    48    49    80.00000  122.90000
   47    50    51    35.00000  120.00000
   47    50    52    63.00000  120.00000
   47    63    58    63.00000  120.00000
   47    63    64    80.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    70.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54    75.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    60    70.00000  112.17500
   53    58    59    35.00000  120.00000
   53    58    63    63.00000  120.00000
   58    53    54    75.00000  120.00000
   58    63    64    80.00000  120.00000
   63    47    50    63.00000  120.00000
   63    58    59    35.00000  120.00000
   55    52    53    70.00000  120.00000
   55    60    61    69.00000  109.80000
   55    60    62    37.50000  110.70000
   55    60    65    63.00000  111.10000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    66    80.00000  120.40000
   60    65    67    81.00000  111.40000
   62    60    61    51.00000  107.60000
   65    60    61    70.00000  110.66000
   65    60    62    35.00000  109.50000
   65    67    68    83.00000  116.90000
   67    65    66    83.00000  123.40000
   67    68    69    35.00000  109.50000
   67    68    70    35.00000  109.50000
   67    68    71    50.00000  109.50000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   48    39    40    70.00000  120.51600
   48    46    47    65.00000  121.96500
   42    40    41    70.00000  118.34500
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.17850 -1.0 2.0
   29    33    39    48  -0.42300  1.0 1.0
   29    33    39    48  -0.07000 -1.0 2.0
   29    33    39    48   0.04150  1.0 3.0
   33    39    40    41   1.00000 -1.0 2.0
   33    39    40    42   1.00000 -1.0 2.0
   33    39    48    46   4.56800  1.0 1.0
   33    39    48    46   0.31650 -1.0 2.0
   33    39    48    49   3.04450 -1.0 2.0
   34    33    39    40   0.17850 -1.0 2.0
   34    33    39    48  -0.42300  1.0 1.0
   34    33    39    48  -0.07000 -1.0 2.0
   34    33    39    48   0.04150  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40   -41    46   6.00000 -1.0 2.0
   39    40    42    43  -0.18050  1.0 3.0
   39    40    42    44  -0.18050  1.0 3.0
   39    40    42    45  -0.18050  1.0 3.0
   40    39   -48    46   4.59200  1.0 1.0
   40    39   -48    46   0.41200 -1.0 2.0
   40    39    48    49   2.67200 -1.0 2.0
   40    41    46    47   2.14300 -1.0 2.0
   40    41   -46    48   1.42450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46    47    50   0.96250 -1.0 2.0
   41    46    47    63   0.96250 -1.0 2.0
   41    46   -48    39   0.63000  1.0 1.0
   41    46   -48    39   1.73150 -1.0 2.0
   41    46    48    49  -0.75150  1.0 1.0
   41    46    48    49   0.83450 -1.0 2.0
   46    47    50    51   3.62500 -1.0 2.0
   46    47    50    52   3.62500 -1.0 2.0
   46    47    63    58   3.62500 -1.0 2.0
   46    47    63    64   3.62500 -1.0 2.0
   47    46    48    39   0.54900  1.0 1.0
   47    46    48    39   1.90750 -1.0 2.0
   47    46    48    49   0.04000 -1.0 2.0
   47    50    52    53   3.62500 -1.0 2.0
   47    50    52    55   3.62500 -1.0 2.0
   50    47    63    58   3.62500 -1.0 2.0
   50    47    63    64   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    58   3.62500 -1.0 2.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    60   0.04150 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53    58    59   3.62500 -1.0 2.0
   52    53    58    63   3.62500 -1.0 2.0
   52    55    60    61   0.56750  1.0 1.0
   52    55    60    61  -0.07550 -1.0 2.0
   52    55    60    61   0.20000  1.0 3.0
   52    55    60    62   0.43200  1.0 3.0
   52    55    60    65   0.56750  1.0 1.0
   52    55    60    65  -0.07550 -1.0 2.0
   52    55    60    65   0.20000  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    60   0.04150 -1.0 2.0
   53    58   -63    47   3.62500 -1.0 2.0
   53    58    63    64   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   59    58    63    47   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   63    47    50    51   3.62500 -1.0 2.0
   63    47   -50    52   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    60    65    66   0.30150 -1.0 2.0
   55    60    65    67   0.36750  1.0 3.0
   56    55    60    61   0.27000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    65  -0.11250  1.0 3.0
   57    55    60    61   0.27000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    65  -0.11250  1.0 3.0
   60    65    67    68   1.63150  1.0 1.0
   60    65    67    68   2.92000 -1.0 2.0
   61    60    65    66   0.30150 -1.0 2.0
   61    60    65    67   0.40000  1.0 3.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   65    67    68    69   0.08050  1.0 3.0
   65    67    68    70   0.08050  1.0 3.0
   65    67    68    71  -0.25900  1.0 1.0
   65    67    68    71  -0.47000 -1.0 2.0
   65    67    68    71   0.11750  1.0 3.0
   66    65    67    68   3.00000 -1.0 2.0
   67    68    71    72   0.23400  1.0 3.0
   67    68    71    73   0.23400  1.0 3.0
   67    68    71    74   0.23400  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   48    39   -40    41  -0.56400  1.0 1.0
   48    39   -40    41   0.77500 -1.0 2.0
   48    39   -40    41   0.18700  1.0 3.0
   48    39    40    42  -0.45200  1.0 1.0
   48    39    40    42   0.85900 -1.0 2.0
   48    39    40    42   0.16650  1.0 3.0
   48    46    47    50   1.00100  1.0 1.0
   48    46    47    50   0.85050 -1.0 2.0
   48    46    47    63   1.00100  1.0 1.0
   48    46    47    63   0.85050 -1.0 2.0
   42    40    41    46   6.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   48    40    39    33   1.00000 -1.0 2.0
   39    42    40    41  10.50000 -1.0 2.0
   47    48    46    41   1.00000 -1.0 2.0
   50    63    47    46   4.00000 -1.0 2.0
   52    51    50    47   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   58    54    53    52   4.00000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   58    64    63    47   4.00000 -1.0 2.0
   60    67    65    66  10.50000 -1.0 2.0
   39    46    48    49  10.50000 -1.0 2.0
END
