* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    222     410
    1     0 S   NP   _N1_     1    29.03884    92.94032   -22.12561
    2     1 S   H    _HN1     2     1.02780    98.62624   -79.04905
    3     1 S   H    _H1_     3     1.02957    93.17332    30.04485
    4     1 S   H    _H2_     4     1.02838    20.88422   162.72075
    5     1 S   CT   _CA1     5     1.50105   131.27132   150.95568
    6     5 S   HC   _HA1     6     1.09574   105.24062    63.62342
    7     5 S   CO3  _C1_     7     1.53781   112.37611   -56.63536
    8     7 S   O2Z  _O11     8     1.26361   114.99589   -44.51952
    9     7 S   O2Z  _O12     9     1.26235   114.91879   134.69332
   10     5 S   CT   _CB1    10     1.53098   107.45599  -178.43364
   11    10 S   HC   HB11    11     1.09826   109.36705   -50.59137
   12    10 S   HC   HB12    12     1.09823   110.42859    65.97643
   13    10 S   CT   _CG1    13     1.53021   112.63985  -171.65955
   14    13 S   HC   HG11    14     1.09593   110.47843   -63.63576
   15    13 S   HC   HG12    15     1.09652   109.96679    55.60630
   16    13 S   C    _CD1    16     1.51790   112.28124   176.00301
   17    16 S   O    _OE1    17     1.22741   123.24300    -0.40251
   18    16 S   N    _N2_    18     1.38666   111.67750   179.55501
   19    18 S   H    _HN2    19     1.01594   119.10356     0.46520
   20    18 S   CT1  _CA2    20     1.46097   123.22287  -179.90309
   21    20 S   HC   _HA2    21     1.09571   109.11828   -12.47702
   22    20 S   C    _C2_    22     1.53466   108.73889  -127.56520
   23    22 S   O    _O2_    23     1.23023   122.09823  -148.43350
   24    20 S   CT   _CB2    32     1.53435   111.82526   109.94139
   25    24 S   HC   HB21    33     1.09655   109.54836    61.58164
   26    24 S   HC   HB22    34     1.09566   110.97608   178.93946
   27    22 S   N    _N3_    24     1.38467   113.43678    39.13996
   28    27 S   H    _HN3    25     1.01526   118.88815    -1.11820
   29    24 S   S    _SG2    35     1.82836   114.58312   -58.13199
   30    27 S   CT   _CA3    26     1.45467   123.65982   174.73497
   31    30 S   HC   HA31    27     1.09514   109.45713    19.44648
   32    30 S   HC   HA32    28     1.09506   107.06036   136.53244
   33    29 S   CT   _C21    36     1.83151    99.82129   -70.10367
   34    33 S   HC   _H3_    37     1.09347   109.04366    56.35630
   35    33 S   HC   _H4_    38     1.09495   105.93764   -60.46606
   36    30 S   CO3  _C3_    29     1.52946   112.99469  -104.15560
   37    36 S   O2Z  _O31    30     1.26420   115.39789   -43.34034
   38    36 S   O2Z  _O32    31     1.26354   114.97850   137.53223
   39    33 S   CT   _C22    39     1.54887   113.74836   178.50800
   40    39 S   CT   _C18    40     1.55252   109.62355   179.52071
   41    40 S   HC   _H33    41     1.10065   108.77593    62.61455
   42    39 S   CT   _C19    72     1.53655   112.55971   -57.93409
   43    42 S   HC   _H34    73     1.09477   111.98421    63.35565
   44    42 S   HC   _H35    74     1.09484   111.35472   -58.45478
   45    42 S   HC   _H36    75     1.09551   111.21297  -179.40390
   46    39 S   OH   _O24    76     1.43271   108.55486    61.79968
   47    46 S   HO   _H43    77     0.97337   107.38232   -56.12162
   48    40 S   CT   _C17    42     1.54207   114.85109  -174.87333
   49    48 S   HC   _H31    43     1.09438   112.93186    29.78583
   50    48 S   HC   _H32    44     1.09374   111.37822   -94.34639
   51    48 S   CA   _C10    45     1.48148    99.53400   146.00126
   52    51 S   CA   _C11    46     1.38128   109.24527   -15.18336
   53    52 S   CA   _C7_    47     1.38184   122.20064  -176.86325
   54    53 S   HA   _H30    48     1.08384   118.74069   179.51746
   55    40 S   OS   _O22    71     1.45775   110.12317   -53.10490
   56    53 S   CA   _C15    49     1.40234   118.48327    -0.69069
   57    56 S   CA   _C9_    50     1.42011   119.40896     0.53082
   58    56 S   OS   _O25    66     1.37148   123.42189  -179.66604
   59    51 S   CA   _C13    51     1.38371   129.99724   168.18450
   60    58 S   CT   _C20    67     1.42203   117.87177     0.28255
   61    60 S   HC   _H37    68     1.09430   107.72150   179.81762
   62    60 S   HC   _H38    69     1.09492   111.15759    62.12934
   63    60 S   HC   _H39    70     1.09491   111.14368   -62.50146
   64    59 S   OS   _O21    52     1.36879   116.58617    -2.86574
   65    64 S   CA   _C12    53     1.36999   118.64809  -179.77619
   66    65 S   CA   _C8_    54     1.39184   123.36059    -0.13270
   67    66 S   CA   _C5_    55     1.39955   120.48558   179.98022
   68    67 S   HA   _H28    56     1.08685   121.11728   179.97202
   69    57 S   CO4  _C16    64     1.48321   122.41858   179.78694
   70    69 S   O    _O20    65     1.22274   122.86156     0.82685
   71    67 S   CA   _C4_    57     1.39527   119.80633     0.02798
   72    71 S   HA   _H27    58     1.08651   119.90948   180.00000
   73    71 S   CA   _C6_    59     1.39425   120.12364     0.02798
   74    73 S   HA   _H29    60     1.08621   119.41955   180.00000
   75    65 S   CA   _C14    61     1.39750   117.43690   179.85196
   76    75 S   OH   _O23    62     1.36884   119.05895     0.01978
   77    76 S   HO   _H42    63     0.97230   108.77872   179.90513
  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   7   5   4   3
  13   5   4   2   1   1  14  15   8   7   3   2   1   3   1   9
   5   4  10   8   8   4   2  11   9   6   6   3   2   1   1   7
  11   9   8   4   3   1   5   3   4   2   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    42    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    48    55    42    43    44    45    46    47  
   35    39    40    42    46  
   39    40    42    46  
   37    38  
   38  
    0  
   40    41    48    49    50    51    52    55    42    43    44    45    46    47  
   41    48    49    50    51    52    53    59    55    42    43    44    45    46    47  
   48    49    50    51    52    55    42    46  
   43    44    45    46    47    48    55  
   44    45    46  
   45    46  
   46  
   47    48    55  
    0  
   49    50    51    52    53    57    59    64    55  
   50    51    52    59    55  
   51    52    59    55  
   52    53    54    56    57    59    64    65    69    55  
   53    54    56    57    59    64    58    55  
   54    56    57    59    69    58    60    55  
   56    57    58    55  
   56    59  
   57    59    64    66    69    70    58    60    61    62    63  
   59    64    65    66    67    69    70    58    60  
   60    61    62    63    59    69  
   64    65    66    75    69    70  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    73    75    76    69  
   66    67    68    71    73    74    75    76    77    69    70  
   67    68    71    72    73    75    76    69    70  
   68    71    72    73    74    75    69    70  
   71    72    73    69  
   70    71    75  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75    76    77  
   75    76  
   76    77  
   77  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   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    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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    42   268.000  1.529
   39    46   320.000  1.410
   40    41   340.000  1.090
   40    48   268.000  1.529
   40    55   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.510
   51    52   469.000  1.400
   51    59   469.000  1.400
   52    53   469.000  1.400
   52    55   450.000  1.364
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   469.000  1.400
   56    58   450.000  1.364
   57    59   469.000  1.400
   57    69   310.000  1.470
   59    64   450.000  1.364
   64    65   450.000  1.364
   65    66   469.000  1.400
   65    75   469.000  1.400
   66    67   469.000  1.400
   66    69   310.000  1.470
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   69    70   570.000  1.229
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    42    58.35000  112.70000
   33    39    46    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    48    58.35000  112.70000
   39    40    55    50.00000  109.50000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    55.00000  108.50000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    51    70.00000  112.17500
   40    55    52    75.00000  111.00000
   48    40    41    37.50000  110.70000
   48    51    52    70.00000  120.00000
   48    51    59    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    63.00000  120.00000
   51    52    55    70.00000  120.00000
   51    59    57    63.00000  120.00000
   51    59    64    70.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    56    63.00000  120.00000
   53    56    57    63.00000  120.00000
   53    56    58    70.00000  120.00000
   56    53    54    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    57    69    60.00000  119.52600
   56    58    60    75.00000  111.00000
   57    59    64    70.00000  120.00000
   57    69    66    65.00000  116.00000
   57    69    70    75.00000  123.78400
   59    51    52    63.00000  120.00000
   59    64    65    85.00000  114.70000
   64    65    66    70.00000  120.00000
   64    65    75    70.00000  120.00000
   65    66    67    63.00000  120.00000
   65    66    69    60.00000  119.52600
   65    75    73    63.00000  120.00000
   65    75    76    70.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    71    63.00000  120.00000
   66    69    70    75.00000  123.78400
   67    71    72    35.00000  120.00000
   67    71    73    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  120.00000
   75    65    66    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  113.00000
   69    57    59    60.00000  119.52600
   69    66    67    60.00000  119.52600
   58    56    57    70.00000  120.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   55    40    41    35.00000  109.50000
   55    40    48    50.00000  109.50000
   55    52    53    70.00000  120.00000
   42    39    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    40    50.00000  109.50000
   46    39    42    50.00000  109.50000
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   0.32350  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   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    48   0.56750  1.0 1.0
   33    39    40    48  -0.07550 -1.0 2.0
   33    39    40    48   0.20000  1.0 3.0
   33    39    40    55   0.62750  1.0 1.0
   33    39    40    55  -0.30950 -1.0 2.0
   33    39    40    55   0.27300  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   34    33    39    46   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   35    33    39    46   0.23400  1.0 3.0
   39    40    48    49   0.15000  1.0 3.0
   39    40    48    50   0.15000  1.0 3.0
   39    40    48    51  -0.03700  1.0 1.0
   39    40    48    51   0.37200 -1.0 2.0
   39    40    48    51  -0.47300  1.0 3.0
   39    40    55    52  -0.32850  1.0 1.0
   39    40    55    52  -0.35800 -1.0 2.0
   39    40    55    52   0.33950  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   40    39    46    47  -0.11600  1.0 1.0
   40    39    46    47  -0.09450 -1.0 2.0
   40    39    46    47   0.21250  1.0 3.0
   40    48   -51    52   0.04150 -1.0 2.0
   40    48    51    59   0.04150 -1.0 2.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    51   0.43200  1.0 3.0
   41    40    55    52   0.08050  1.0 3.0
   48    40   -55    52  -0.32850  1.0 1.0
   48    40   -55    52  -0.35800 -1.0 2.0
   48    40   -55    52   0.33950  1.0 3.0
   48    51    52    53   3.62500 -1.0 2.0
   48    51   -52    55   3.62500 -1.0 2.0
   48    51    59    57   3.62500 -1.0 2.0
   48    51    59    64   3.62500 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    59   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    59   0.00000  1.0 1.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52    53    56   3.62500 -1.0 2.0
   51    52   -55    40   1.63200 -1.0 2.0
   51    59    64    65   0.47150 -1.0 2.0
   52    51    59    57   3.62500 -1.0 2.0
   52    51    59    64   3.62500 -1.0 2.0
   52    53   -56    57   3.62500 -1.0 2.0
   52    53    56    58   3.62500 -1.0 2.0
   53    52    55    40   1.63200 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    57    69   3.62500 -1.0 2.0
   53    56    58    60   1.63200 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    58   3.62500 -1.0 2.0
   56    57   -59    51   3.62500 -1.0 2.0
   56    57    59    64   3.62500 -1.0 2.0
   56    57    69    66   0.56600 -1.0 2.0
   56    57    69    70   1.05000 -1.0 2.0
   56    58    60    61   0.08050  1.0 3.0
   56    58    60    62   0.08050  1.0 3.0
   56    58    60    63   0.08050  1.0 3.0
   57    56    58    60   1.63200 -1.0 2.0
   57    59    64    65   0.47150 -1.0 2.0
   59    51   -52    53   3.62500 -1.0 2.0
   59    51    52    55   3.62500 -1.0 2.0
   59    57    69    66   0.56600 -1.0 2.0
   59    57    69    70   1.05000 -1.0 2.0
   59    64   -65    66   0.47150 -1.0 2.0
   59    64    65    75   0.47150 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    69   3.62500 -1.0 2.0
   64    65    75    73   3.62500 -1.0 2.0
   64    65    75    76   3.62500 -1.0 2.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    71   3.62500 -1.0 2.0
   65    66   -69    57   0.56600 -1.0 2.0
   65    66    69    70   1.05000 -1.0 2.0
   65    75    76    77   0.84100 -1.0 2.0
   66    65    75    73   3.62500 -1.0 2.0
   66    65    75    76   3.62500 -1.0 2.0
   66    67    71    72   3.62500 -1.0 2.0
   66    67   -71    73   3.62500 -1.0 2.0
   67    66    69    57   0.56600 -1.0 2.0
   67    66    69    70   1.05000 -1.0 2.0
   67    71    73    74   3.62500 -1.0 2.0
   67    71    73    75   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    73   3.62500 -1.0 2.0
   71    73   -75    65   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   0.84100 -1.0 2.0
   74    73    75    65   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    65   -66    67   3.62500 -1.0 2.0
   75    65    66    69   3.62500 -1.0 2.0
   69    57    59    51   3.62500 -1.0 2.0
   69    57   -59    64   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    71   3.62500 -1.0 2.0
   58    56    57    59   3.62500 -1.0 2.0
   58    56    57    69   3.62500 -1.0 2.0
   55    40    48    49   0.23400  1.0 3.0
   55    40    48    50   0.23400  1.0 3.0
   55    40   -48    51  -0.64350  1.0 1.0
   55    40   -48    51  -0.04200 -1.0 2.0
   55    40   -48    51   0.19800  1.0 3.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   42    39    40    41   0.15000  1.0 3.0
   42    39    40    48   0.56750  1.0 1.0
   42    39    40    48  -0.07550 -1.0 2.0
   42    39    40    48   0.20000  1.0 3.0
   42    39    40    55   0.62750  1.0 1.0
   42    39    40    55  -0.30950 -1.0 2.0
   42    39    40    55   0.27300  1.0 3.0
   42    39    46    47  -0.11600  1.0 1.0
   42    39    46    47  -0.09450 -1.0 2.0
   42    39    46    47   0.21250  1.0 3.0
   46    39    40    41   0.23400  1.0 3.0
   46    39    40    48   0.86500  1.0 1.0
   46    39    40    48  -0.17500 -1.0 2.0
   46    39    40    48   0.20800  1.0 3.0
   46    39    40    55   3.69350  1.0 1.0
   46    39    40    55  -1.82950 -1.0 2.0
   46    39    42    43   0.23400  1.0 3.0
   46    39    42    44   0.23400  1.0 3.0
   46    39    42    45   0.23400  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   52    59    51    48   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   56    54    53    52   1.10000 -1.0 2.0
   57    58    56    53   4.00000 -1.0 2.0
   59    69    57    56   4.00000 -1.0 2.0
   57    64    59    51   4.00000 -1.0 2.0
   66    75    65    64   4.00000 -1.0 2.0
   67    69    66    65   4.00000 -1.0 2.0
   71    68    67    66   1.10000 -1.0 2.0
   73    72    71    67   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    65   4.00000 -1.0 2.0
   57    66    69    70  10.50000 -1.0 2.0
END
