* LIGAND DATABASE FILE (OPLS2005)
*
001      77    76    137    196     398
    1     0 S   NP   _N1_     1    28.90151    96.43593   -21.53815
    2     1 S   H    _HN1     2     1.02782    96.59320  -117.05364
    3     1 S   H    _H1_     3     1.02829    72.68440    -9.83979
    4     1 S   H    _H2_     4     1.02952    42.50291   133.63693
    5     1 S   CT   _CA1     5     1.50585   146.94033    92.72768
    6     5 S   HC   _HA1     6     1.09682   104.54514    91.89908
    7     5 S   CO3  _C1_     7     1.54532   110.80432   -23.84923
    8     7 S   O2Z  _O11     8     1.26024   116.80507  -121.57021
    9     7 S   O2Z  _O12     9     1.26635   113.67874    56.83374
   10     5 S   CT   _CB1    10     1.53124   106.92847  -151.86446
   11    10 S   HC   HB11    11     1.09834   110.27065   -39.57786
   12    10 S   HC   HB12    12     1.09757   110.18803    77.23789
   13    10 S   CT   _CG1    13     1.52896   112.01047  -159.93246
   14    13 S   HC   HG11    14     1.09493   110.86446   -56.58015
   15    13 S   HC   HG12    15     1.09666   109.54424    62.35262
   16    13 S   C    _CD1    16     1.51724   112.46913  -177.04249
   17    16 S   O    _OE1    17     1.22739   123.38620     6.82355
   18    16 S   N    _N2_    18     1.38493   111.54436  -173.94456
   19    18 S   H    _HN2    19     1.02010   118.93636     3.60853
   20    18 S   CT1  _CA2    20     1.46009   123.89572  -177.31956
   21    20 S   HC   _HA2    21     1.09730   109.18922     4.22049
   22    20 S   C    _C2_    22     1.53451   109.46773  -111.76109
   23    22 S   O    _O2_    23     1.23114   122.07485  -151.17939
   24    20 S   CT   _CB2    32     1.53395   110.99479   125.71525
   25    24 S   HC   HB21    33     1.09494   109.87432    60.92442
   26    24 S   HC   HB22    34     1.09518   110.59714   179.10913
   27    22 S   N    _N3_    24     1.38313   113.92457    36.65261
   28    27 S   H    _HN3    25     1.01595   119.48692    -5.28995
   29    24 S   S    _SG2    35     1.83017   111.12016   -61.69028
   30    27 S   CT   _CA3    26     1.45269   123.08368   176.77675
   31    30 S   HC   HA31    27     1.09559   107.69382   -59.03403
   32    30 S   HC   HA32    28     1.09560   107.72585    57.30256
   33    29 S   CT   _C15    36     1.85512   100.21374   132.46081
   34    33 S   HC   _H3_    37     1.09630   107.37246   -34.37761
   35    30 S   CO3  _C3_    29     1.52933   114.28153   179.12151
   36    35 S   O2Z  _O31    30     1.26352   116.15033    -1.21997
   37    35 S   O2Z  _O32    31     1.26464   114.37473   178.77267
   38    33 S   CT   _C14    38     1.54819   106.34370    81.45893
   39    38 S   HC   _H18    39     1.09787   109.67791    65.49695
   40    38 S   HC   _H19    40     1.09843   109.51108   -49.27427
   41    33 S   CT   _C16    67     1.56414   111.38722  -151.09846
   42    38 S   CT   _C13    41     1.53626   117.09299  -171.53109
   43    42 S   HC   _H16    42     1.09547   109.62769   -64.86457
   44    42 S   HC   _H17    43     1.09890   107.62999  -178.06589
   45    41 S   CT   _C17    68     1.53997   112.26259    54.77582
   46    45 S   HC   _H20    69     1.09525   110.69544    51.73839
   47    45 S   HC   _H21    70     1.09668   110.86550   169.19241
   48    45 S   HC   _H22    71     1.09390   112.79168   -70.25283
   49    41 S   CT   _C18    72     1.53382   113.89777   -70.46722
   50    49 S   HC   _H23    73     1.09489   111.40614   -63.14031
   51    49 S   HC   _H24    74     1.09674   110.58957   179.77445
   52    49 S   HC   _H25    75     1.09376   112.32346    59.28089
   53    41 S   OH   _O35    76     1.43495   107.78119   170.64882
   54    53 S   HO   _H26    77     0.97239   108.29401  -179.04838
   55    42 S   CM   _C5_    44     1.51877   115.73483    62.12837
   56    55 S   CM   _C6_    45     1.34776   119.89272  -123.91248
   57    56 S   HC   _H7_    46     1.08966   117.81003     1.51904
   58    55 S   CT   _C4_    63     1.50428   115.45598    58.65082
   59    58 S   HC   _H4_    64     1.09420   110.35086   -73.13873
   60    58 S   HC   _H5_    65     1.09137   113.63833   166.03528
   61    58 S   HC   _H6_    66     1.09535   110.15982    46.52782
   62    56 S   CT   _C7_    47     1.50433   128.60681  -177.23430
   63    62 S   HC   _H8_    48     1.09264   112.78671     9.00137
   64    62 S   HC   _H9_    49     1.09775   107.08499   124.52110
   65    62 S   CT   _C8_    50     1.53429   112.78029  -116.68265
   66    65 S   HC   _H10    51     1.09825   109.26739   -53.47244
   67    65 S   HC   _H11    52     1.09790   108.67844  -168.05117
   68    65 S   CM   _C9_    53     1.51690   114.12394    71.15612
   69    68 S   CM   _C10    54     1.34525   120.09370  -115.62312
   70    69 S   HC   _H12    55     1.08977   119.42720    -0.58450
   71    68 S   CT   _C12    59     1.50546   115.53939    66.97721
   72    71 S   HC   _H13    60     1.09395   110.48695   -78.16004
   73    71 S   HC   _H14    61     1.09344   112.99407   160.41474
   74    71 S   HC   _H15    62     1.09543   110.29099    41.61895
   75    69 S   CO3  _C11    56     1.52763   124.00296  -180.00000
   76    75 S   O2Z  _O34    57     1.26347   115.98132   -52.93590
   77    75 S   O2Z  _O33    58     1.26425   114.50999   129.09661
  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
  19   8   2   1   1  12   6   5  11  10   4   3   9   4   3   2
   5   3   2   1   1   1  10  12   5   4   2   1   1   8   5   4
  10   4   3   9   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    55    41    45    46    47    48    49    50    51    52    53    54  
   38    39    40    42    41    45    49    53  
   36    37  
   37  
    0  
   39    40    42    43    44    55    56    58    41    45    49    53  
   40    42    43    44    55    41  
   42    43    44    55    41  
   45    46    47    48    49    50    51    52    53    54    42  
   43    44    55    56    57    62    58    59    60    61  
   44    55    56    58  
   55    56    58  
   46    47    48    49    50    51    52    53    54  
   47    48    49    53  
   48    49    53  
   49    53  
   50    51    52    53    54  
   51    52    53  
   52    53  
   53  
   54  
    0  
   56    57    62    63    64    65    58    59    60    61  
   57    62    63    64    65    66    67    68    58    59    60    61  
   62    63    64    65    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    71  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    75    71    72    73    74  
   67    68    69    71  
   68    69    71  
   69    70    75    76    77    71    72    73    74  
   70    75    76    77    71    72    73    74  
   75    76    77    71  
   72    73    74    75  
   73    74  
   74  
    0  
   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   0.107500   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   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   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    55   317.000  1.510
   55    56   549.000  1.340
   55    58   317.000  1.510
   56    57   340.000  1.080
   56    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   549.000  1.340
   68    71   317.000  1.510
   69    70   340.000  1.080
   69    75   230.000  1.545
   75    76   656.000  1.250
   75    77   656.000  1.250
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    53   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   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    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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    55    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    55    56    70.00000  124.00000
   42    55    58    65.00000  117.92700
   44    42    43    33.00000  107.80000
   55    42    43    35.00000  109.50000
   55    42    44    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    62    70.00000  124.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    70.00000  112.02700
   62    56    57    35.00000  117.00000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    70.00000  124.00000
   65    68    71    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    69    70    35.00000  120.00000
   68    69    75    55.00000  124.75400
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    85.00000  113.83300
   69    75    77    85.00000  113.83300
   75    69    70    40.00000  118.53000
   77    75    76    80.00000  126.00000
   71    68    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   41    53    54    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    41    45    50.00000  109.50000
   53    41    49    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    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   29    33    41    53   0.56750  1.0 1.0
   29    33    41    53  -0.07550 -1.0 2.0
   29    33    41    53   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    55   0.34400  1.0 1.0
   33    38    42    55   0.09450 -1.0 2.0
   33    38    42    55   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    52   0.15000  1.0 3.0
   33    41    53    54  -0.11600  1.0 1.0
   33    41    53    54  -0.09450 -1.0 2.0
   33    41    53    54   0.21250  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    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.15000  1.0 3.0
   34    33    41    53   0.23400  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.56750  1.0 1.0
   38    33    41    49  -0.07550 -1.0 2.0
   38    33    41    49   0.20000  1.0 3.0
   38    33    41    53   0.86500  1.0 1.0
   38    33    41    53  -0.17500 -1.0 2.0
   38    33    41    53   0.20800  1.0 3.0
   38    42    55    56   0.09850  1.0 1.0
   38    42    55    56   0.15250 -1.0 2.0
   38    42    55    56  -0.50650  1.0 3.0
   38    42    55    58   0.46850  1.0 1.0
   38    42    55    58   0.08550 -1.0 2.0
   38    42    55    58   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    55   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    55   0.15000  1.0 3.0
   42    55    56    57   7.00000 -1.0 2.0
   42    55    56    62   7.00000 -1.0 2.0
   42    55    58    59   0.34800  1.0 3.0
   42    55    58    60   0.34800  1.0 3.0
   42    55    58    61   0.34800  1.0 3.0
   43    42    55    56   0.00000  1.0 1.0
   43    42    55    58   0.34800  1.0 3.0
   44    42    55    56   0.00000  1.0 1.0
   44    42    55    58   0.34800  1.0 3.0
   55    56    62    63   0.00000  1.0 1.0
   55    56    62    64   0.00000  1.0 1.0
   55    56    62    65   0.09850  1.0 1.0
   55    56    62    65   0.15250 -1.0 2.0
   55    56    62    65  -0.50650  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    61   0.00000  1.0 1.0
   56    62    65    66   0.15000  1.0 3.0
   56    62    65    67   0.15000  1.0 3.0
   56    62    65    68   0.31000  1.0 1.0
   56    62    65    68   0.14700 -1.0 2.0
   56    62    65    68   0.07550  1.0 3.0
   57    56    62    63   0.33100  1.0 3.0
   57    56    62    64   0.33100  1.0 3.0
   57    56    62    65   0.00000  1.0 1.0
   62    65    68    69   0.09850  1.0 1.0
   62    65    68    69   0.15250 -1.0 2.0
   62    65    68    69  -0.50650  1.0 3.0
   62    65    68    71   0.46850  1.0 1.0
   62    65    68    71   0.08550 -1.0 2.0
   62    65    68    71   0.09800  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    69    70   7.00000 -1.0 2.0
   65    68    69    75   7.00000 -1.0 2.0
   65    68    71    72   0.34800  1.0 3.0
   65    68    71    73   0.34800  1.0 3.0
   65    68    71    74   0.34800  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    71   0.34800  1.0 3.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    71   0.34800  1.0 3.0
   68    69    75    76  -0.04000 -1.0 2.0
   68    69    75    76  -0.29050  1.0 3.0
   68    69    75    77  -0.04000 -1.0 2.0
   68    69    75    77  -0.29050  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.00000  1.0 1.0
   71    68    69    70   7.00000 -1.0 2.0
   71    68    69    75   7.00000 -1.0 2.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    62   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    52   0.15000  1.0 3.0
   45    41    53    54  -0.11600  1.0 1.0
   45    41    53    54  -0.09450 -1.0 2.0
   45    41    53    54   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    53    54  -0.11600  1.0 1.0
   49    41    53    54  -0.09450 -1.0 2.0
   49    41    53    54   0.21250  1.0 3.0
   53    41    45    46   0.23400  1.0 3.0
   53    41    45    47   0.23400  1.0 3.0
   53    41    45    48   0.23400  1.0 3.0
   53    41    49    50   0.23400  1.0 3.0
   53    41    49    51   0.23400  1.0 3.0
   53    41    49    52   0.23400  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
   42    58    55    56  15.00000 -1.0 2.0
   62    57    56    55  15.00000 -1.0 2.0
   65    71    68    69  15.00000 -1.0 2.0
   75    70    69    68  15.00000 -1.0 2.0
   76    69    75    77  10.50000 -1.0 2.0
END
