* LIGAND DATABASE FILE (OPLS2005)
*
001      75    75    132    204     396
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02140    81.10053   -82.31794
    3     1 S   H    _H1_     3     1.02056    97.94272    25.47553
    4     1 S   H    _H2_     4     1.02128    35.48832   136.60870
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.80594    98.15691  -178.21469
   34    33 S   HC   _H3_    37     1.09486   107.62742   -60.00463
   35    33 S   HC   _H4_    38     1.09459   107.71262    56.16873
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C17    39     1.52596   111.14392   178.56509
   40    39 S   HC   _H37    40     1.09584   112.69470   -58.42413
   41    39 S   C    _C9_    41     1.51596   110.45720   179.57433
   42    41 S   O    _O18    42     1.22410   124.90632  -115.72484
   43    39 S   OS   _O23    45     1.42206   108.99397    61.95860
   44    41 S   OH   _O21    43     1.35857   112.18101    65.14673
   45    44 S   HO   _H40    44     0.98119   115.13013   179.17008
   46    43 S   CT   _C11    46     1.42613   111.47332  -153.02953
   47    46 S   HC   _H28    47     1.10519   106.11934   -29.99459
   48    46 S   CM   _C5_    48     1.49717   107.36243    85.51144
   49    48 S   HC   _H26    49     1.09093   117.70771   -72.49124
   50    48 S   CM   _C4_    50     1.33836   123.66546   107.44260
   51    50 S   HC   _H25    51     1.09039   118.25363   177.33384
   52    50 S   CT   _C10    52     1.49817   123.75610    -2.15867
   53    52 S   HC   _H27    53     1.12011   107.28629  -128.37804
   54    52 S   CT   _C12    54     1.53924   115.10758    -5.44259
   55    54 S   HC   _H29    55     1.13059   110.22316   150.58228
   56    52 S   CO4  _C6_    64     1.50037   106.38830   117.87068
   57    56 S   O    _O15    65     1.22999   120.97740   -35.82492
   58    46 S   CT   _C13    56     1.53679   110.19816  -150.04700
   59    58 S   HC   _H30    57     1.11292   109.55692    41.81021
   60    54 S   C    _C7_    60     1.50270   110.29259   -94.48210
   61    60 S   O    _O16    61     1.22221   125.00465    31.55238
   62    56 S   CT   _C14    66     1.51795   116.13830   144.24862
   63    62 S   HC   _H31    67     1.09637   108.00680   -60.01930
   64    62 S   HC   _H32    68     1.09632   107.99984    56.70995
   65    58 S   OH   _O22    58     1.42920   107.84314   156.45434
   66    65 S   HO   _H41    59     0.96737   106.24060   -60.04163
   67    60 S   OH   _O19    62     1.35505   110.70437  -148.31537
   68    67 S   HO   _H38    63     0.98116   111.92096   179.89165
   69    62 S   CT   _C15    69     1.52528   112.54102   178.31798
   70    69 S   HC   _H33    70     1.09655   109.71106    60.04117
   71    69 S   HC   _H34    71     1.09574   109.74407   -59.36066
   72    69 S   C    _C8_    72     1.51116   111.93576  -179.69804
   73    72 S   O    _O17    73     1.22328   125.44065    -1.10712
   74    72 S   OH   _O20    74     1.35887   111.39546   178.90550
   75    74 S   HO   _H39    75     0.98190   114.88909   179.98022
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
   9   5   4   2   1   1  10   5   5   3  10   1   1  13   7  10
   4  10   4  15   7  12   7  10   4   6   3   4   2   8   5   4
   1   1   1   1   6   4   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    43    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    45    43    46    47    48    58  
   41    42    44    43    46  
   42    44    45    43    46  
   44    45    43  
   46    47    48    49    50    54    58    59    65    44  
   45  
    0  
   47    48    49    50    51    52    54    55    58    59    65    66    60  
   48    49    50    54    58    59    65  
   49    50    51    52    53    54    58    59    65    56  
   50    51    52    58  
   51    52    53    54    55    58    60    56    57    62  
   52    53    54    56  
   53    54    55    58    59    65    60    61    67    56    57    62    63    64    69  
   54    55    58    60    56    57    62  
   55    58    59    65    66    60    61    67    68    56    57    62  
   58    59    65    60    61    67    56  
   57    62    63    64    69    70    71    72    58    60  
   62    63    64    69  
   59    65    66    60    61    67  
   65    66    60  
   61    67    68    65  
   67    68  
   63    64    69    70    71    72    73    74  
   64    69    70    71    72  
   69    70    71    72  
   66  
    0  
   68  
    0  
   70    71    72    73    74    75  
   71    72    73    74  
   72    73    74  
   73    74    75  
   74    75  
   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  -0.335000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   74   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.450000   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   340.000  1.090
   39    41   317.000  1.522
   39    43   320.000  1.410
   41    42   570.000  1.229
   41    44   450.000  1.364
   44    45   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   317.000  1.510
   46    58   268.000  1.529
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   317.000  1.522
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   317.000  1.522
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   60    61   570.000  1.229
   60    67   450.000  1.364
   67    68   553.000  0.945
   56    57   570.000  1.229
   56    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.522
   72    73   570.000  1.229
   72    74   450.000  1.364
   74    75   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    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    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    41    42    80.00000  120.40000
   39    41    44    70.00000  108.00000
   39    43    46    60.00000  109.50000
   41    39    40    35.00000  109.50000
   41    44    45    35.00000  113.00000
   44    41    42   100.00000  123.32000
   43    39    40    35.00000  109.50000
   43    39    41    90.00000  108.55600
   43    46    47    35.00000  109.50000
   43    46    48    85.00000  110.90400
   43    46    58    50.00000  109.50000
   46    48    49    35.00000  117.00000
   46    48    50    70.00000  124.00000
   46    58    54    58.35000  112.70000
   46    58    59    37.50000  110.70000
   46    58    65    50.00000  109.50000
   48    46    47    35.00000  109.50000
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  109.50000
   50    52    54    70.00000  112.02700
   50    52    56    70.00000  109.06800
   52    50    51    35.00000  117.00000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    60    63.00000  111.10000
   52    56    57    80.00000  120.40000
   52    56    62    70.00000  116.00000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    65    50.00000  109.50000
   54    60    61    80.00000  120.40000
   54    60    67    70.00000  108.00000
   58    46    47    37.50000  110.70000
   58    46    48    70.00000  112.02700
   58    54    55    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   60    54    55    35.00000  109.50000
   60    54    58    63.00000  111.10000
   60    67    68    35.00000  113.00000
   67    60    61   100.00000  123.32000
   56    52    53    35.00000  109.50000
   56    52    54    63.00000  111.10000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    69    63.00000  111.10000
   62    56    57    80.00000  120.40000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    63.00000  111.10000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    72    73    80.00000  120.40000
   69    72    74    70.00000  108.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    35.00000  113.00000
   74    72    73   100.00000  123.32000
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   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    44   0.50000  1.0 1.0
   33    39    41    44   0.27300 -1.0 2.0
   33    39    41    44   0.22500  1.0 3.0
   33    39    43    46   0.06250  1.0 1.0
   33    39    43    46  -0.01100 -1.0 2.0
   33    39    43    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    44    45   1.50000  1.0 1.0
   39    41    44    45   2.45000 -1.0 2.0
   39    43    46    47   0.37050  1.0 3.0
   39    43    46    48  -0.77900  1.0 1.0
   39    43    46    48  -0.36900 -1.0 2.0
   39    43    46    48   0.40400  1.0 3.0
   39    43    46    58   0.06250  1.0 1.0
   39    43    46    58  -0.01100 -1.0 2.0
   39    43    46    58   0.28050  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    43    46   0.37050  1.0 3.0
   41    39    43    46  -1.11000  1.0 1.0
   41    39    43    46   0.50250 -1.0 2.0
   41    39    43    46   0.47450  1.0 3.0
   42    41    44    45   0.92200  1.0 1.0
   42    41    44    45   3.74100 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    44   0.40000  1.0 3.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    50   0.39000  1.0 1.0
   43    46    48    50  -0.05800 -1.0 2.0
   43    46    48    50  -0.55150  1.0 3.0
   43    46    58    54   0.62750  1.0 1.0
   43    46    58    54  -0.30950 -1.0 2.0
   43    46    58    54   0.27300  1.0 3.0
   43    46    58    59   0.23400  1.0 3.0
   43    46    58    65   3.69350  1.0 1.0
   43    46    58    65  -1.82950 -1.0 2.0
   46    48    50    51   7.00000 -1.0 2.0
   46    48    50    52   7.00000 -1.0 2.0
   46    58    65    66  -0.11600  1.0 1.0
   46    58    65    66  -0.09450 -1.0 2.0
   46    58    65    66   0.21250  1.0 3.0
   47    46    48    49   0.33100  1.0 3.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    58    54   0.15000  1.0 3.0
   47    46    58    59   0.15000  1.0 3.0
   47    46    58    65   0.23400  1.0 3.0
   48    46    58    54   0.34400  1.0 1.0
   48    46    58    54   0.09450 -1.0 2.0
   48    46    58    54   0.11100  1.0 3.0
   48    46    58    59   0.15000  1.0 3.0
   48    46    58    65   1.05650  1.0 1.0
   48    46    58    65   0.15600 -1.0 2.0
   48    46    58    65   0.53150  1.0 3.0
   48    50    52    53   0.00000  1.0 1.0
   48    50   -52    54   0.09850  1.0 1.0
   48    50   -52    54   0.15250 -1.0 2.0
   48    50   -52    54  -0.50650  1.0 3.0
   48    50    52    56  -0.51250  1.0 1.0
   48    50    52    56  -0.88800 -1.0 2.0
   48    50    52    56   0.08850  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    52   7.00000 -1.0 2.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    58   0.34400  1.0 1.0
   50    52    54    58   0.09450 -1.0 2.0
   50    52    54    58   0.11100  1.0 3.0
   50    52    54    60  -0.98800  1.0 1.0
   50    52    54    60   0.48800 -1.0 2.0
   50    52    54    60   0.76800  1.0 3.0
   50    52    56    57   0.30150 -1.0 2.0
   50    52    56    62   0.65300  1.0 1.0
   50    52    56    62  -0.03850 -1.0 2.0
   50    52    56    62   0.33900  1.0 3.0
   51    50    52    53   0.33100  1.0 3.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    56   0.00000  1.0 1.0
   52    54   -58    46   0.56750  1.0 1.0
   52    54   -58    46  -0.07550 -1.0 2.0
   52    54   -58    46   0.20000  1.0 3.0
   52    54    58    59   0.15000  1.0 3.0
   52    54    58    65   0.86500  1.0 1.0
   52    54    58    65  -0.17500 -1.0 2.0
   52    54    58    65   0.20800  1.0 3.0
   52    54    60    61   0.30150 -1.0 2.0
   52    54    60    67   0.50000  1.0 1.0
   52    54    60    67   0.27300 -1.0 2.0
   52    54    60    67   0.22500  1.0 3.0
   52    56    62    63   0.00000  1.0 1.0
   52    56    62    64   0.00000  1.0 1.0
   52    56    62    69   0.60050  1.0 1.0
   52    56    62    69   0.05600 -1.0 2.0
   52    56    62    69   0.26150  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    60  -0.11250  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   54    52    56    57   0.30150 -1.0 2.0
   54    52    56    62   0.60050  1.0 1.0
   54    52    56    62   0.05600 -1.0 2.0
   54    52    56    62   0.26150  1.0 3.0
   54    58    65    66  -0.11600  1.0 1.0
   54    58    65    66  -0.09450 -1.0 2.0
   54    58    65    66   0.21250  1.0 3.0
   54    60    67    68   1.50000  1.0 1.0
   54    60    67    68   2.45000 -1.0 2.0
   55    54    58    46   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    65   0.23400  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    67   0.00000  1.0 1.0
   58    46    48    49   0.00000  1.0 1.0
   58    46   -48    50   0.09850  1.0 1.0
   58    46   -48    50   0.15250 -1.0 2.0
   58    46   -48    50  -0.50650  1.0 3.0
   58    54    60    61   0.30150 -1.0 2.0
   58    54    60    67   0.50000  1.0 1.0
   58    54    60    67   0.27300 -1.0 2.0
   58    54    60    67   0.22500  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   60    54    58    46  -0.95700  1.0 1.0
   60    54    58    46  -0.18200 -1.0 2.0
   60    54    58    46   0.29450  1.0 3.0
   60    54    58    59  -0.11250  1.0 3.0
   60    54    58    65  -0.09450  1.0 1.0
   60    54    58    65  -1.12950 -1.0 2.0
   60    54    58    65   0.54000  1.0 3.0
   61    60    67    68   0.92200  1.0 1.0
   61    60    67    68   3.74100 -1.0 2.0
   56    52    54    55  -0.11250  1.0 3.0
   56    52    54    58  -0.95700  1.0 1.0
   56    52    54    58  -0.18200 -1.0 2.0
   56    52    54    58   0.29450  1.0 3.0
   56    52    54    60   0.11950  1.0 1.0
   56    52    54    60   0.20300 -1.0 2.0
   56    52    54    60  -0.70800  1.0 3.0
   56    62    69    70  -0.11250  1.0 3.0
   56    62    69    71  -0.11250  1.0 3.0
   56    62    69    72   0.11950  1.0 1.0
   56    62    69    72   0.20300 -1.0 2.0
   56    62    69    72  -0.70800  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   57    56    62    69   0.30150 -1.0 2.0
   62    69    72    73   0.30150 -1.0 2.0
   62    69    72    74   0.50000  1.0 1.0
   62    69    72    74   0.27300 -1.0 2.0
   62    69    72    74   0.22500  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    72  -0.11250  1.0 3.0
   64    62    69    70   0.15000  1.0 3.0
   64    62    69    71   0.15000  1.0 3.0
   64    62    69    72  -0.11250  1.0 3.0
   69    72    74    75   1.50000  1.0 1.0
   69    72    74    75   2.45000 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    74   0.00000  1.0 1.0
   73    72    74    75   0.92200  1.0 1.0
   73    72    74    75   3.74100 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   46    49    48    50   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   54    67    60    61  10.50000 -1.0 2.0
   52    62    56    57  10.50000 -1.0 2.0
   69    74    72    73  10.50000 -1.0 2.0
END
