* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    138    213     400
    1     0 S   NP   _N1_     1    28.35929    93.91464   -23.39500
    2     1 S   H    _HN1     2     1.02790   102.36453  -100.74184
    3     1 S   H    _H1_     3     1.02947    85.70388     7.13413
    4     1 S   H    _H2_     4     1.02825    25.78114   153.62967
    5     1 S   CT   _CA1     5     1.50126   133.57524   121.42062
    6     5 S   HC   _HA1     6     1.09572   105.17792    73.61516
    7     5 S   CO3  _C1_     7     1.53809   112.38102   -46.60372
    8     7 S   O2Z  _O11     8     1.26383   114.99561   -43.62984
    9     7 S   O2Z  _O12     9     1.26230   114.96818   135.30445
   10     5 S   CT   _CB1    10     1.53059   107.38513  -168.41438
   11    10 S   HC   HB11    11     1.09835   109.44337   -49.12438
   12    10 S   HC   HB12    12     1.09809   110.45575    67.52608
   13    10 S   CT   _CG1    13     1.52949   112.53770  -170.04075
   14    13 S   HC   HG11    14     1.09590   110.63795   -65.34537
   15    13 S   HC   HG12    15     1.09667   109.78815    53.85957
   16    13 S   C    _CD1    16     1.51796   112.16327   174.41437
   17    16 S   O    _OE1    17     1.22734   123.33210     8.69933
   18    16 S   N    _N2_    18     1.38518   111.64406  -171.51011
   19    18 S   H    _HN2    19     1.01740   118.88377     0.49337
   20    18 S   CT1  _CA2    20     1.46209   123.80073  -179.77015
   21    20 S   HC   _HA2    21     1.09729   109.19677    10.19802
   22    20 S   C    _C2_    22     1.53605   109.44367  -105.79650
   23    22 S   O    _O2_    23     1.23105   122.11311  -149.98751
   24    20 S   CT   _CB2    32     1.53433   110.96781   131.91541
   25    24 S   HC   HB21    33     1.09233   109.19305    58.75186
   26    24 S   HC   HB22    34     1.09503   110.43774   177.17686
   27    22 S   N    _N3_    24     1.38292   114.04401    37.68033
   28    27 S   H    _HN3    25     1.01540   119.64972    -3.73250
   29    24 S   S    _SG2    35     1.83080   111.04617   -63.22934
   30    27 S   CT   _CA3    26     1.45291   123.17137   176.99671
   31    30 S   HC   HA31    27     1.09553   107.55433   -62.84219
   32    30 S   HC   HA32    28     1.09557   107.91438    53.56306
   33    29 S   CT   _C15    36     1.86953   101.68207   156.66622
   34    33 S   OM   _O38    37     1.32021   107.52665   172.46959
   35    30 S   CO3  _C3_    29     1.52958   114.14455   175.49015
   36    35 S   O2Z  _O31    30     1.26371   116.10409    -1.75725
   37    35 S   O2Z  _O32    31     1.26440   114.41154   178.28605
   38    33 S   CM   _C14    38     1.51715   106.53616    59.17320
   39    38 S   HC   _H10    39     1.09019   118.64572    45.28261
   40    38 S   CM   _C13    40     1.33924   122.94000  -126.57924
   41    40 S   CT   _C18    41     1.50886   125.82530    -4.09505
   42    41 S   CA   _C7_    42     1.50442    99.52841   151.72204
   43    41 S   CO4  _C17    62     1.52330   106.85374    29.35534
   44    43 S   O    _O36    63     1.23094   121.41674   133.18179
   45    41 S   CT   _C19    72     1.53405   111.86116   -92.33645
   46    45 S   HC   _H11    73     1.09532   112.19312    58.50408
   47    45 S   HC   _H12    74     1.09717   111.97476   -61.76986
   48    45 S   HC   _H13    75     1.09642   110.93528   178.25280
   49    42 S   CA   _C8_    43     1.39229   108.44387    12.17059
   50    33 S   CT   _C16    64     1.57474   113.48670   -67.77584
   51    50 S   HC   _H3_    65     1.10300   110.15984  -146.63506
   52    49 S   CA   _C9_    44     1.38937   122.48396   176.20419
   53    40 S   OS   _O35    61     1.39307   122.03785   162.58649
   54    50 S   CO4  _C20    66     1.53990   114.60050   -30.70460
   55    54 S   O    _O37    67     1.23207   122.80443   100.11443
   56    52 S   CA   _C10    45     1.42455   121.40030    -0.86750
   57    56 S   OM   _O33    46     1.28144   122.58533  -177.29991
   58    52 S   CO4  _C11    55     1.48349   116.75719   179.84805
   59    58 S   O    _O34    56     1.22772   119.67945    61.19482
   60    54 S   CT   _C21    68     1.50957   117.15205   -78.80599
   61    60 S   HC   _H14    69     1.09153   110.22086    71.57197
   62    60 S   HC   _H15    70     1.09274   109.90155   -50.26737
   63    60 S   HC   _H16    71     1.09406   109.38150  -168.90555
   64    56 S   CA   _C5_    47     1.44501   114.97150     1.66095
   65    58 S   CT   _C12    57     1.50574   117.89772  -117.41676
   66    65 S   HC   _H7_    58     1.09378   108.83751   129.44191
   67    65 S   HC   _H8_    59     1.09355   111.44493    10.78726
   68    65 S   HC   _H9_    60     1.09278   109.56599  -110.48479
   69    42 S   CA   _C6_    48     1.38041   132.47962  -172.69687
   70    64 S   CT   _C4_    51     1.52057   119.41483  -179.20426
   71    70 S   HC   _H4_    52     1.09460   109.73873    80.42596
   72    70 S   HC   _H5_    53     1.09452   112.03537  -158.95327
   73    70 S   HC   _H6_    54     1.09506   111.28607   -40.82998
   74    69 S   OH   _O39    49     1.36721   121.05254     3.59777
   75    74 S   HO   _H17    50     0.97238   108.84808    16.46840
  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   9   5   4   3
  13   7   2   1   1  11   4  13  16  17  13   4   7   2   1   1
  10   7   3  12   3   5   4  11   4   6   4   3   2   1   1   7
   3   2   1   1   6   4   2   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    50    51    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    50    51    54    55    60  
   38    39    40    43    50    51    54  
   36    37  
   37  
    0  
   39    40    41    42    49    53    43    50    51    54    45  
   40    41    53    50  
   41    42    49    52    69    53    43    44    50    45    46    47    48  
   42    49    52    64    69    74    53    43    44    50    51    54    45    46    47    48  
   49    52    56    64    69    74    75    70    58    53    43    44    50    45    46    47    48  
   44    50    51    54    55    60    45    46    47    48    49    53    69  
   50    51    54    45  
   46    47    48    49    50    53    69  
   47    48  
   48  
    0  
   52    56    57    64    69    74    58    59    65    53  
   51    54    55    60    61    62    63  
   54    55    60  
   56    57    64    69    70    58    59    65    66    67    68    53  
   56    58    69  
   55    60    61    62    63  
   60    61    62    63  
   57    64    69    74    70    71    72    73    58    59    65  
   64    69    70    58  
   59    65    66    67    68    64  
   65    66    67    68  
   61    62    63  
   62    63  
   63  
    0  
   69    74    75    70    71    72    73  
   66    67    68  
   67    68  
   68  
    0  
   74    75    70    71    72    73  
   71    72    73    74  
   72    73  
   73  
    0  
   75  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    53   440.000  1.360
   41    42   317.000  1.510
   41    43   317.000  1.522
   41    45   268.000  1.529
   42    49   469.000  1.400
   42    69   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    56   469.000  1.400
   52    58   310.000  1.470
   56    57   450.000  1.364
   56    64   469.000  1.400
   64    69   469.000  1.400
   64    70   317.000  1.510
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   58    59   570.000  1.229
   58    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    54   317.000  1.522
   54    55   570.000  1.229
   54    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    50    43    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    54    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    40    41    70.00000  124.00000
   38    40    53    80.00000  120.01400
   40    38    39    35.00000  120.00000
   40    41    42    70.00000  112.99600
   40    41    43    70.00000  109.06800
   40    41    45    70.00000  112.02700
   40    53    49    90.00000  114.30300
   41    42    49    70.00000  120.00000
   41    42    69    70.00000  120.00000
   41    43    44    80.00000  120.40000
   41    43    50    70.00000  116.00000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    52    63.00000  120.00000
   42    49    53    70.00000  120.00000
   42    69    64    63.00000  120.00000
   42    69    74    70.00000  120.00000
   49    52    56    63.00000  120.00000
   49    52    58    60.00000  119.52600
   52    56    57    70.00000  120.00000
   52    56    64    63.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    65    65.00000  115.47100
   56    64    69    63.00000  120.00000
   56    64    70    70.00000  120.00000
   64    56    57    70.00000  120.00000
   64    69    74    70.00000  120.00000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   69    42    49    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    64    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   58    52    56    60.00000  119.52600
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   65    58    59    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    40    41    85.00000  112.85300
   53    49    52    70.00000  120.00000
   43    41    42    70.00000  110.93000
   43    50    51    35.00000  109.50000
   43    50    54    75.00000  107.99600
   50    33    34    50.00000  109.50000
   50    33    38    70.00000  112.02700
   50    43    44    80.00000  120.40000
   50    54    55    80.00000  120.40000
   50    54    60    70.00000  116.00000
   54    50    51    35.00000  109.50000
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    63    35.00000  109.50000
   60    54    55    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   45    41    42    70.00000  112.17500
   45    41    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    43   0.56750  1.0 1.0
   29    33    50    43  -0.07550 -1.0 2.0
   29    33    50    43   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    53   7.00000 -1.0 2.0
   33    50    54    55   0.30150 -1.0 2.0
   33    50    54    60   0.60050  1.0 1.0
   33    50    54    60   0.05600 -1.0 2.0
   33    50    54    60   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    50    43  -0.09450  1.0 1.0
   34    33    50    43  -1.12950 -1.0 2.0
   34    33    50    43   0.54000  1.0 3.0
   34    33    50    51   0.23400  1.0 3.0
   34    33    50    54  -0.09450  1.0 1.0
   34    33    50    54  -1.12950 -1.0 2.0
   34    33    50    54   0.54000  1.0 3.0
   38    33    50    43  -0.98800  1.0 1.0
   38    33    50    43   0.48800 -1.0 2.0
   38    33    50    43   0.76800  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54  -0.98800  1.0 1.0
   38    33    50    54   0.48800 -1.0 2.0
   38    33    50    54   0.76800  1.0 3.0
   38    40    41    42   1.44450  1.0 1.0
   38    40    41    42   0.06600 -1.0 2.0
   38    40    41    42   0.29250  1.0 3.0
   38    40   -41    43  -0.51250  1.0 1.0
   38    40   -41    43  -0.88800 -1.0 2.0
   38    40   -41    43   0.08850  1.0 3.0
   38    40    41    45   0.09850  1.0 1.0
   38    40    41    45   0.15250 -1.0 2.0
   38    40    41    45  -0.50650  1.0 3.0
   38    40    53    49   2.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    53   7.00000 -1.0 2.0
   40    41   -42    49   0.18050 -1.0 2.0
   40    41    42    69   0.18050 -1.0 2.0
   40    41    43    44   0.30150 -1.0 2.0
   40    41    43    50   0.65300  1.0 1.0
   40    41    43    50  -0.03850 -1.0 2.0
   40    41    43    50   0.33900  1.0 3.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    47   0.15000  1.0 3.0
   40    41    45    48   0.15000  1.0 3.0
   41    40   -53    49   2.00000 -1.0 2.0
   41    42    49    52   3.62500 -1.0 2.0
   41    42   -49    53   3.62500 -1.0 2.0
   41    42    69    64   3.62500 -1.0 2.0
   41    42    69    74   3.62500 -1.0 2.0
   41    43   -50    33   0.60050  1.0 1.0
   41    43   -50    33   0.05600 -1.0 2.0
   41    43   -50    33   0.26150  1.0 3.0
   41    43    50    51   0.00000  1.0 1.0
   41    43    50    54   0.65300  1.0 1.0
   41    43    50    54  -0.03850 -1.0 2.0
   41    43    50    54   0.33900  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    50   0.65300  1.0 1.0
   42    41    43    50  -0.03850 -1.0 2.0
   42    41    43    50   0.33900  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    47   0.43200  1.0 3.0
   42    41    45    48   0.43200  1.0 3.0
   42    49    52    56   3.62500 -1.0 2.0
   42    49    52    58   3.62500 -1.0 2.0
   42    49   -53    40   0.00000  1.0 1.0
   42    69    74    75   0.84100 -1.0 2.0
   49    42    69    64   3.62500 -1.0 2.0
   49    42    69    74   3.62500 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52   -56    64   3.62500 -1.0 2.0
   49    52    58    59   1.05000 -1.0 2.0
   49    52    58    65   2.26350  1.0 1.0
   49    52    58    65   0.76750 -1.0 2.0
   49    52    58    65   0.22500  1.0 3.0
   52    49    53    40   0.00000  1.0 1.0
   52    56    64    69   3.62500 -1.0 2.0
   52    56    64    70   3.62500 -1.0 2.0
   52    58    65    66   0.00000  1.0 1.0
   52    58    65    67   0.00000  1.0 1.0
   52    58    65    68   0.00000  1.0 1.0
   56    52    58    59   1.05000 -1.0 2.0
   56    52    58    65   2.26350  1.0 1.0
   56    52    58    65   0.76750 -1.0 2.0
   56    52    58    65   0.22500  1.0 3.0
   56    64   -69    42   3.62500 -1.0 2.0
   56    64    69    74   3.62500 -1.0 2.0
   56    64    70    71   0.00000  1.0 1.0
   56    64    70    72   0.00000  1.0 1.0
   56    64    70    73   0.00000  1.0 1.0
   57    56    64    69   3.62500 -1.0 2.0
   57    56    64    70   3.62500 -1.0 2.0
   64    69    74    75   0.84100 -1.0 2.0
   69    42   -49    52   3.62500 -1.0 2.0
   69    42    49    53   3.62500 -1.0 2.0
   69    64    70    71   0.00000  1.0 1.0
   69    64    70    72   0.00000  1.0 1.0
   69    64    70    73   0.00000  1.0 1.0
   70    64    69    42   3.62500 -1.0 2.0
   70    64    69    74   3.62500 -1.0 2.0
   58    52    56    57   3.62500 -1.0 2.0
   58    52    56    64   3.62500 -1.0 2.0
   59    58    65    66   0.00000  1.0 1.0
   59    58    65    67   0.00000  1.0 1.0
   59    58    65    68   0.00000  1.0 1.0
   53    40   -41    42   0.09700  1.0 1.0
   53    40   -41    42   0.15600 -1.0 2.0
   53    40   -41    42  -0.50800  1.0 3.0
   53    40    41    43   0.09700  1.0 1.0
   53    40    41    43   0.15600 -1.0 2.0
   53    40    41    43  -0.50800  1.0 3.0
   53    40    41    45   0.09700  1.0 1.0
   53    40    41    45   0.15600 -1.0 2.0
   53    40    41    45  -0.50800  1.0 3.0
   53    49    52    56   3.62500 -1.0 2.0
   53    49    52    58   3.62500 -1.0 2.0
   43    41    42    49   0.04300 -1.0 2.0
   43    41    42    69   0.04300 -1.0 2.0
   43    41    45    46  -0.11250  1.0 3.0
   43    41    45    47  -0.11250  1.0 3.0
   43    41    45    48  -0.11250  1.0 3.0
   43    50    54    55   0.30150 -1.0 2.0
   43    50    54    60   0.65300  1.0 1.0
   43    50    54    60  -0.03850 -1.0 2.0
   43    50    54    60   0.33900  1.0 3.0
   44    43    50    33   0.30150 -1.0 2.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    54   0.30150 -1.0 2.0
   50    33    38    39   0.00000  1.0 1.0
   50    33   -38    40   0.09850  1.0 1.0
   50    33   -38    40   0.15250 -1.0 2.0
   50    33   -38    40  -0.50650  1.0 3.0
   50    54    60    61   0.00000  1.0 1.0
   50    54    60    62   0.00000  1.0 1.0
   50    54    60    63   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    60   0.00000  1.0 1.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   55    54    60    63   0.00000  1.0 1.0
   45    41    42    49   0.04150 -1.0 2.0
   45    41    42    69   0.04150 -1.0 2.0
   45    41    43    44   0.30150 -1.0 2.0
   45    41    43    50   0.60050  1.0 1.0
   45    41    43    50   0.05600 -1.0 2.0
   45    41    43    50   0.26150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    53    40    38   1.10000 -1.0 2.0
   49    69    42    41   4.00000 -1.0 2.0
   52    53    49    42   4.00000 -1.0 2.0
   56    58    52    49   4.00000 -1.0 2.0
   64    57    56    52   4.00000 -1.0 2.0
   69    70    64    56   4.00000 -1.0 2.0
   64    74    69    42   4.00000 -1.0 2.0
   52    65    58    59  10.50000 -1.0 2.0
   41    50    43    44  10.50000 -1.0 2.0
   50    60    54    55  10.50000 -1.0 2.0
END
