* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    201     396
    1     0 S   NP   _N1_     1    28.52684    95.49343   -20.79794
    2     1 S   H    _HN1     2     1.02777    90.35037   -77.69413
    3     1 S   H    _H1_     3     1.02956    82.05472    30.81701
    4     1 S   H    _H2_     4     1.02830    37.59688   162.55691
    5     1 S   CT   _CA1     5     1.50105   147.55998   146.64266
    6     5 S   HC   _HA1     6     1.09573   105.21734    69.37651
    7     5 S   CO3  _C1_     7     1.53733   112.51383   -50.82875
    8     7 S   O2Z  _O11     8     1.26338   114.95400   -40.78651
    9     7 S   O2Z  _O12     9     1.26220   114.88504   138.44127
   10     5 S   CT   _CB1    10     1.53087   107.45512  -172.63587
   11    10 S   HC   HB11    11     1.09824   109.28545   -50.55688
   12    10 S   HC   HB12    12     1.09819   110.43391    66.01344
   13    10 S   CT   _CG1    13     1.52992   112.67238  -171.65268
   14    13 S   HC   HG11    14     1.09606   110.47732   -65.66710
   15    13 S   HC   HG12    15     1.09665   109.92517    53.57062
   16    13 S   C    _CD1    16     1.51809   112.37445   173.92862
   17    16 S   O    _OE1    17     1.22718   123.33024     1.21997
   18    16 S   N    _N2_    18     1.38626   111.56395  -178.77411
   19    18 S   H    _HN2    19     1.01598   118.92840     1.27947
   20    18 S   CT1  _CA2    20     1.46249   123.47217   178.84462
   21    20 S   HC   _HA2    21     1.09733   109.39284    -6.75302
   22    20 S   C    _C2_    22     1.53436   108.43342  -122.25988
   23    22 S   O    _O2_    23     1.23033   122.33983  -148.62856
   24    20 S   CT   _CB2    32     1.53365   111.36737   115.38717
   25    24 S   HC   HB21    33     1.09447   109.64905    55.19368
   26    24 S   HC   HB22    34     1.09506   110.56253   174.10060
   27    22 S   N    _N3_    24     1.38351   113.52559    38.83817
   28    27 S   H    _HN3    25     1.01631   119.48908    -3.55523
   29    24 S   S    _SG2    35     1.82723   111.29742   -66.39743
   30    27 S   CT   _CA3    26     1.45287   123.18288   177.05231
   31    30 S   HC   HA31    27     1.09550   107.50070   -64.57486
   32    30 S   HC   HA32    28     1.09557   107.98602    51.85094
   33    29 S   CT   _C17    36     1.83561    99.95102   170.92734
   34    33 S   HC   _H3_    37     1.09574   107.52039    44.39195
   35    30 S   CO3  _C3_    29     1.52949   114.10149   173.83665
   36    35 S   O2Z  _O31    30     1.26373   116.04819    -1.26548
   37    35 S   O2Z  _O32    31     1.26431   114.41415   178.80827
   38    33 S   CT   _C14    38     1.52025   112.75891   -76.76861
   39    38 S   HC   _H29    39     1.09813   109.27514   171.94958
   40    38 S   HC   _H30    40     1.09538   111.09236    54.81865
   41    38 S   C    _C10    41     1.51797   115.28881   -68.46822
   42    41 S   O    _O19    42     1.23469   117.98161   164.36885
   43    41 S   N    _N18    43     1.40429   117.51000   -19.23068
   44    43 S   CT   _C16    44     1.46849   121.89597   -13.60428
   45    44 S   HC   _H33    45     1.09755   108.01663  -115.47703
   46    44 S   HC   _H34    46     1.09833   106.85653   131.24789
   47    43 S   C    _C13    50     1.41566   124.19623   170.52282
   48    47 S   O    _O20    51     1.23191   123.72215   156.02989
   49    33 S   CT   _C15    47     1.52062   111.13478   163.21761
   50    49 S   HC   _H31    48     1.09692   111.63087   -59.08394
   51    49 S   HC   _H32    49     1.09876   108.43769  -174.95279
   52    47 S   CM   _C12    52     1.49123   116.07412   -25.29508
   53    52 S   HC   _H28    53     1.08407   118.33573   -23.57677
   54    52 S   CM   _C11    54     1.34089   119.86446   159.51264
   55    54 S   HC   _H27    55     1.08719   120.82735    -0.30901
   56    54 S   CA   _C6_    56     1.47192   123.44124   178.48793
   57    56 S   CA   _C4_    57     1.40400   118.56353  -143.11906
   58    57 S   HA   _H25    58     1.08669   118.43518     1.22637
   59    57 S   CA   _C7_    59     1.39750   120.72181  -179.30846
   60    59 S   CA   _C9_    60     1.40338   118.81249     0.00000
   61    59 S   OS   _O21    74     1.37120   125.13215   179.95154
   62    60 S   CA   _C8_    61     1.40320   121.41779     2.12771
   63    60 S   OS   _O23    69     1.37724   119.02761   179.00870
   64    61 S   CT   _C18    75     1.42202   117.18667     2.43438
   65    64 S   HC   _H36    76     1.09429   107.73871   178.72313
   66    64 S   HC   _H37    77     1.09503   111.18107    60.99147
   67    64 S   HC   _H38    78     1.09492   111.11130   -63.58604
   68    56 S   CA   _C5_    62     1.40451   121.91237    39.66341
   69    68 S   HA   _H26    63     1.08624   118.78276    -0.09279
   70    62 S   OS   _O22    64     1.37116   116.14974   177.16241
   71    63 S   CT   _C20    70     1.42882   109.87624    93.88672
   72    71 S   HC   _H42    71     1.09406   107.75273  -176.10600
   73    71 S   HC   _H43    72     1.09503   111.20785    65.76388
   74    71 S   HC   _H44    73     1.09570   111.52014   -57.76592
   75    70 S   CT   _C19    65     1.42219   117.09487   173.01281
   76    75 S   HC   _H39    66     1.09427   107.72825  -175.48820
   77    75 S   HC   _H40    67     1.09482   110.98426    66.90553
   78    75 S   HC   _H41    68     1.09510   111.36558   -57.66387
  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
  13   8   2   1   1  10   5   4   9   3  11   8   5   4   7   3
   2   1   1   6   3   8   3   9   9   4  11  12   6   9   6   3
   2   1   1   3   1   4   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    49    50    51  
   38    39    40    41    44    49    50    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    49    50    51    47  
   40    41    42    43    49  
   41    42    43    49  
   42    43    44    45    46    49    47    48    52  
   43    44    47  
   44    45    46    49    50    51    47    48    52    53    54  
   45    46    49    50    51    47    48    52  
   46    49    50    51    47  
   49    50    51    47  
   48    52    53    54    55    56    49  
   52    53    54  
   50    51  
   51  
    0  
   53    54    55    56    57    68  
   54    55    56  
   55    56    57    58    59    62    68    69  
   56    57    68  
   57    58    59    60    62    68    69    70    61  
   58    59    60    62    68    69    63    61    64  
   59    60    68    61  
   60    62    68    70    63    71    61    64    65    66    67  
   62    68    69    70    75    63    71    72    73    74    61    64  
   64    65    66    67    62    63  
   68    69    70    75    76    77    78    63    71  
   71    72    73    74    68    70  
   65    66    67  
   66    67  
   67  
    0  
   69    70    75  
   70  
   75    76    77    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.2500   0.1700  -0.315000   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   490.000  1.335
   43    44   337.000  1.449
   43    47   490.000  1.335
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   47    48   570.000  1.229
   47    52   410.000  1.444
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   340.000  1.080
   54    56   320.000  1.460
   56    57   469.000  1.400
   56    68   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    62   469.000  1.400
   60    63   450.000  1.364
   62    68   469.000  1.400
   62    70   450.000  1.364
   68    69   367.000  1.080
   70    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   63    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    49    44    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    51    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.60000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    50.00000  121.90000
   41    43    47    70.00000  121.37400
   43    41    42    80.00000  122.90000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    49    70.00000  110.72300
   43    47    48    80.00000  122.90000
   43    47    52    80.00000  111.56200
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   46    44    45    33.00000  107.80000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   51    49    50    33.00000  107.80000
   47    43    44    50.00000  121.90000
   47    52    53    35.00000  119.70000
   47    52    54    70.00000  118.70000
   52    47    48    80.00000  125.30000
   52    54    55    35.00000  120.00000
   52    54    56    60.00000  123.20500
   54    52    53    35.00000  120.00000
   54    56    57    60.00000  120.93500
   54    56    68    60.00000  120.93500
   56    54    55    40.00000  117.26300
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    68    62    63.00000  120.00000
   56    68    69    35.00000  120.00000
   57    59    60    63.00000  120.00000
   57    59    61    70.00000  120.00000
   59    57    58    35.00000  120.00000
   59    60    62    63.00000  120.00000
   59    60    63    70.00000  120.00000
   59    61    64    75.00000  111.00000
   60    62    68    63.00000  120.00000
   60    62    70    70.00000  120.00000
   60    63    71    75.00000  111.00000
   62    68    69    35.00000  120.00000
   62    70    75    75.00000  111.00000
   68    56    57    63.00000  120.00000
   70    62    68    70.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   63    60    62    70.00000  120.00000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   61    59    60    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   1.39750  1.0 1.0
   33    38    41    43  -0.07950 -1.0 2.0
   33    38    41    43  -0.18750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    51   0.15000  1.0 3.0
   38    33    49    44   0.56750  1.0 1.0
   38    33    49    44  -0.07550 -1.0 2.0
   38    33    49    44   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    51   0.15000  1.0 3.0
   38    41   -43    44   1.49850  1.0 1.0
   38    41   -43    44   1.53950 -1.0 2.0
   38    41    43    47   2.45000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45   0.00000  1.0 1.0
   41    43    44    46   0.00000  1.0 1.0
   41    43    44    49  -0.43950  1.0 1.0
   41    43    44    49  -0.08100 -1.0 2.0
   41    43    44    49   0.03350  1.0 3.0
   41    43    47    48   2.22250 -1.0 2.0
   41    43    47    52   2.45000 -1.0 2.0
   42    41    43    44   3.04450 -1.0 2.0
   42    41    43    47   2.22250 -1.0 2.0
   43    44   -49    33   0.43900  1.0 1.0
   43    44   -49    33   0.49100 -1.0 2.0
   43    44   -49    33   0.28400  1.0 3.0
   43    44    49    50   0.15000  1.0 3.0
   43    44    49    51   0.15000  1.0 3.0
   43    47    52    53   0.65100 -1.0 2.0
   43    47    52    54   0.49500  1.0 1.0
   43    47    52    54   1.31600 -1.0 2.0
   43    47    52    54  -0.02300  1.0 3.0
   44    43    47    48   3.04450 -1.0 2.0
   44    43    47    52   1.49850  1.0 1.0
   44    43    47    52   1.53950 -1.0 2.0
   45    44    49    33   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   46    44    49    33   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41  -0.95700  1.0 1.0
   49    33   -38    41  -0.18200 -1.0 2.0
   49    33   -38    41   0.29450  1.0 3.0
   47    43    44    45   0.00000  1.0 1.0
   47    43    44    46   0.00000  1.0 1.0
   47    43    44    49  -0.43950  1.0 1.0
   47    43    44    49  -0.08100 -1.0 2.0
   47    43    44    49   0.03350  1.0 3.0
   47    52    54    55   7.00000 -1.0 2.0
   47    52    54    56   7.00000 -1.0 2.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   1.00000 -1.0 2.0
   52    54    56    57   0.15800  1.0 1.0
   52    54    56    57   1.85350 -1.0 2.0
   52    54    56    57  -0.48700  1.0 3.0
   52    54    56    68   0.15800  1.0 1.0
   52    54    56    68   1.85350 -1.0 2.0
   52    54    56    68  -0.48700  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56    57    59   3.62500 -1.0 2.0
   54    56    68    62   3.62500 -1.0 2.0
   54    56    68    69   3.62500 -1.0 2.0
   55    54    56    57   0.56550  1.0 3.0
   55    54    56    68   0.56550  1.0 3.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    61   3.62500 -1.0 2.0
   57    56    68    62   3.62500 -1.0 2.0
   57    56    68    69   3.62500 -1.0 2.0
   57    59   -60    62   3.62500 -1.0 2.0
   57    59    60    63   3.62500 -1.0 2.0
   57    59    61    64   1.63200 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    60    62    68   3.62500 -1.0 2.0
   59    60    62    70   3.62500 -1.0 2.0
   59    60    63    71   1.63200 -1.0 2.0
   59    61    64    65   0.08050  1.0 3.0
   59    61    64    66   0.08050  1.0 3.0
   59    61    64    67   0.08050  1.0 3.0
   60    59    61    64   1.63200 -1.0 2.0
   60    62   -68    56   3.62500 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   60    62    70    75   1.63200 -1.0 2.0
   60    63    71    72   0.08050  1.0 3.0
   60    63    71    73   0.08050  1.0 3.0
   60    63    71    74   0.08050  1.0 3.0
   62    60    63    71   1.63200 -1.0 2.0
   62    70    75    76   0.08050  1.0 3.0
   62    70    75    77   0.08050  1.0 3.0
   62    70    75    78   0.08050  1.0 3.0
   68    56    57    58   3.62500 -1.0 2.0
   68    56   -57    59   3.62500 -1.0 2.0
   68    62    70    75   1.63200 -1.0 2.0
   70    62    68    56   3.62500 -1.0 2.0
   70    62    68    69   3.62500 -1.0 2.0
   63    60    62    68   3.62500 -1.0 2.0
   63    60    62    70   3.62500 -1.0 2.0
   61    59    60    62   3.62500 -1.0 2.0
   61    59    60    63   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   44    41    43    47   1.00000 -1.0 2.0
   43    52    47    48  10.50000 -1.0 2.0
   47    53    52    54  15.00000 -1.0 2.0
   56    55    54    52  15.00000 -1.0 2.0
   57    68    56    54   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   60    61    59    57   4.00000 -1.0 2.0
   62    63    60    59   4.00000 -1.0 2.0
   68    70    62    60   4.00000 -1.0 2.0
   62    69    68    56   1.10000 -1.0 2.0
END
