* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    132    203     374
    1     0 S   NP   _N1_     1    30.87171    92.17915   -16.40421
    2     1 S   H    _HN1     2     1.03126   154.27392    53.25330
    3     1 S   H    _H1_     3     1.02857    53.90107   101.11119
    4     1 S   H    _H2_     4     1.02782    68.67003   -32.76380
    5     1 S   CT   _CA1     5     1.50166    93.30286  -145.02705
    6     5 S   HC   _HA1     6     1.09554   105.58640    12.61487
    7     5 S   CO3  _C1_     7     1.53836   112.12281  -107.98408
    8     7 S   O2Z  _O11     8     1.26362   115.32869   -61.00099
    9     7 S   O2Z  _O12     9     1.26235   114.79116   118.28686
   10     5 S   CT   _CB1    10     1.52857   107.10060   130.58382
   11    10 S   HC   HB11    11     1.09843   109.84952   -52.99995
   12    10 S   HC   HB12    12     1.09600   109.31148    62.33434
   13    10 S   CT   _CG1    13     1.53242   113.53797  -174.32287
   14    13 S   HC   HG11    14     1.09517   112.06007   -42.10153
   15    13 S   HC   HG12    15     1.09541   110.69190    77.39404
   16    13 S   C    _CD1    16     1.51418   109.15615  -162.50919
   17    16 S   O    _OE1    17     1.22752   121.99026   -93.86033
   18    16 S   N    _N2_    18     1.38546   112.35521    83.18034
   19    18 S   H    _HN2    19     1.01602   119.03408     7.98906
   20    18 S   CT1  _CA2    20     1.46229   123.61101  -168.64273
   21    20 S   HC   _HA2    21     1.09740   109.09703     6.56567
   22    20 S   C    _C2_    22     1.53273   109.20120  -109.85357
   23    22 S   O    _O2_    23     1.23056   122.12592  -141.49881
   24    20 S   CT   _CB2    32     1.53831   111.00357   127.55209
   25    24 S   HC   HB21    33     1.09496   109.42290    64.11429
   26    24 S   HC   HB22    34     1.09509   110.15164  -176.76239
   27    22 S   N    _N3_    24     1.38461   113.62377    45.57425
   28    27 S   H    _HN3    25     1.01494   119.11587     0.42613
   29    24 S   S    _SG2    35     1.82560   111.11364   -55.85709
   30    27 S   CT   _CA3    26     1.45425   123.14384   175.93004
   31    30 S   HC   HA31    27     1.09543   108.94247    30.26259
   32    30 S   HC   HA32    28     1.09492   107.19984   147.15644
   33    29 S   CT   _C14    36     1.84394   101.65041  -171.73354
   34    33 S   HC   _H6_    37     1.09668   105.68117    64.61143
   35    30 S   CO3  _C3_    29     1.52917   113.28495   -93.04861
   36    35 S   O2Z  _O31    30     1.26386   115.44934   -45.66966
   37    35 S   O2Z  _O32    31     1.26368   114.97024   135.31215
   38    33 S   CT   _C15    38     1.54376   114.38361   -53.88644
   39    38 S   HC   _H14    39     1.09406   110.95828    60.39237
   40    38 S   HC   _H15    40     1.09670   109.18797   176.53581
   41    38 S   S    _S2_    41     1.82699   115.24451   -62.85134
   42    41 S   C4T  _C11    42     1.83768    97.55014   -55.17926
   43    42 S   HC   _H4_    43     1.09401   114.70190   -82.03443
   44    42 S   C4T  _C10    44     1.55389   115.03042   141.15307
   45    44 S   HC   _H3_    45     1.09840   113.54123   152.81361
   46    42 S   N4   _N8_    48     1.46503   109.59519    46.25600
   47    44 S   C4   _C12    46     1.54660    84.74813   -96.53095
   48    47 S   O    _O35    47     1.20941   135.75081   165.19066
   49    33 S   CT1  _C13    49     1.54582   110.42586  -178.38093
   50    49 S   HC   _H5_    50     1.10138   105.87002  -175.56257
   51    44 S   N    _N7_    54     1.47436   117.63655    19.81766
   52    51 S   H    _H13    55     1.02127   119.91881   -68.55157
   53    49 S   CO3  _C16    51     1.54505   118.43314   -62.18150
   54    53 S   O2Z  _O37    52     1.26497   115.40678   165.00388
   55    53 S   O2Z  _O36    53     1.26352   115.73578   -17.66680
   56    51 S   C    _C9_    56     1.37909   122.19127   109.36626
   57    56 S   O    _O34    57     1.22128   128.27374     0.55461
   58    56 S   CD   _C5_    58     1.50474   113.31310  -179.72305
   59    58 S   C5B  _C6_    59     1.45272   119.71457   -91.28467
   60    58 S   NI   _N4_    68     1.29819   121.57284    89.04625
   61    59 S   C5A  _C7_    60     1.38189   125.43223  -176.27133
   62    61 S   HA   _H10    61     1.08105   128.80371    -0.07402
   63    60 S   OS   _O33    69     1.40209   111.32995    -0.28046
   64    61 S   SA   _S1_    62     1.71081   110.19052  -179.84677
   65    63 S   CT   _C4_    70     1.41936   108.17716  -175.92816
   66    65 S   HC   _H7_    71     1.09316   108.46337   180.00000
   67    65 S   HC   _H8_    72     1.09445   110.31564    61.00232
   68    65 S   HC   _H9_    73     1.09439   110.35576   -60.97122
   69    64 S   CRA  _C8_    63     1.72206    89.90810     0.01978
   70    59 S   N5B  _N5_    64     1.38903   120.19454     4.25344
   71    69 S   NE   _N6_    65     1.34649   120.38161   179.94766
   72    71 S   H    _H11    66     1.01407   121.65740   177.80715
   73    71 S   H    _H12    67     1.01435   121.82424     0.90005
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  13   8   2   1   1  10   4   3   8  12   6  10   6   8   7   2
   4   3   6   3   2   1   1   7   3   9   8   7   5   3   4   5
   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    49    50    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    47    46    49    50    53    54    55  
   38    39    40    41    46    49    50    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    49    50    53  
   40    41    42    49  
   41    42    49  
   42    43    44    45    47    46    49    51  
   43    44    45    47    48    46    49    50    53    51    52    56  
   44    45    47    46    49    51  
   45    47    48    46    49    51    52    56    57    58  
   47    48    46    51    52    56  
   49    50    53    54    55    51    47    48  
   48    49    50    53    51    52    56  
   49    51  
   50    53    54    55  
   53    54    55  
   52    56    57    58    59    60  
   56    57    58  
   54    55  
   55  
    0  
   57    58    59    61    70    60    63  
   58    59    60  
   59    61    62    64    69    70    60    63    65  
   61    62    64    69    70    71    60    63  
   63    65    66    67    68    61    70  
   62    64    69    70    71  
   64    69    70  
   65    66    67    68  
   69    70    71    72    73  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.047500   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   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   60   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   61   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   65   3.5000   0.0660   0.042500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   71   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   72   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   222.000  1.810
   41    42   200.000  1.824
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   305.000  1.456
   44    45   340.000  1.090
   44    47   250.000  1.540
   44    51   337.000  1.449
   47    48   930.000  1.212
   47    46   440.000  1.369
   46    49   337.000  1.449
   49    50   340.000  1.090
   49    53   317.000  1.522
   53    54   656.000  1.250
   53    55   656.000  1.250
   51    52   434.000  1.010
   51    56   490.000  1.335
   56    57   570.000  1.229
   56    58   270.000  1.486
   58    59   305.000  1.466
   58    60   500.000  1.261
   59    61   520.000  1.370
   59    70   410.000  1.394
   61    62   367.000  1.080
   61    64   265.000  1.745
   64    69   250.000  1.765
   69    70   488.000  1.335
   69    71   420.000  1.385
   71    72   434.000  1.010
   71    73   434.000  1.010
   60    63   320.000  1.394
   63    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  111.63000
   33    49    46    80.00000  109.70000
   33    49    50    37.50000  110.70000
   33    49    53    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    85.00000   99.86700
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    42    43    45.00000  109.41400
   41    42    44    65.00000  119.05700
   41    42    46    80.00000  108.62000
   42    44    45    37.50000  110.70000
   42    44    47   100.00000   86.36000
   42    44    51    80.00000  110.05700
   42    46    47   100.00000   93.00000
   42    46    49    50.00000  132.70000
   44    42    43    37.50000  110.70000
   44    47    48    60.00000  136.58000
   44    47    46    95.00000   92.72400
   44    51    52    38.00000  118.40000
   44    51    56    50.00000  121.90000
   47    44    45    40.00000  113.37500
   47    46    49    50.00000  132.10000
   46    42    43    50.00000  112.01000
   46    42    44   105.00000   87.49700
   46    47    48    75.00000  131.60000
   46    49    50    35.00000  109.50000
   46    49    53    63.00000  110.10000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    53    54    70.00000  117.00000
   49    53    55    70.00000  117.00000
   53    49    50    35.00000  109.50000
   55    53    54    80.00000  126.00000
   51    44    45    50.00000  112.01000
   51    44    47    75.00000  110.24000
   51    56    57    80.00000  122.90000
   51    56    58    75.00000  109.57000
   56    51    52    35.00000  119.80000
   56    58    59    75.00000  114.44000
   56    58    60    65.00000  123.79500
   58    56    57    80.00000  120.45000
   58    59    61    60.00000  121.09900
   58    59    70    60.00000  126.00000
   58    60    63   100.00000  109.52600
   59    61    62    35.00000  130.70000
   59    61    64    80.00000  111.29200
   59    70    69    70.00000  110.00000
   61    64    69   120.00000   89.04400
   64    61    62    40.00000  122.38200
   64    69    70    80.00000  114.57700
   64    69    71    70.00000  122.29500
   69    71    72    35.00000  113.50000
   69    71    73    35.00000  113.50000
   70    59    61    70.00000  111.00000
   71    69    70    75.00000  125.31200
   73    71    72    35.00000  109.00000
   60    58    59    65.00000  124.33800
   60    63    65   110.00000  106.71400
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    46   0.71400  1.0 1.0
   29    33    49    46   0.04300 -1.0 2.0
   29    33    49    46   0.01450  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53  -2.17200  1.0 1.0
   29    33    49    53  -0.85700 -1.0 2.0
   33    38    41    42  -0.25000 -1.0 2.0
   33    38    41    42  -0.01800  1.0 3.0
   33    49    53    54   0.00000  1.0 1.0
   33    49    53    55   0.00000  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    46   0.23200  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    53  -0.03800  1.0 3.0
   38    33    49    46   0.42250  1.0 1.0
   38    33    49    46  -0.48100 -1.0 2.0
   38    33    49    46   0.35650  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    53  -0.84850  1.0 1.0
   38    33    49    53  -0.22800 -1.0 2.0
   38    33    49    53   0.29250  1.0 3.0
   38    41    42    43   0.00000  1.0 1.0
   38    41    42    44   0.25150  1.0 1.0
   38    41    42    44  -1.17200 -1.0 2.0
   38    41    42    44   0.53050  1.0 3.0
   38    41   -42    46   0.01700  1.0 1.0
   38    41   -42    46  -0.23550 -1.0 2.0
   38    41   -42    46   0.21350  1.0 3.0
   39    38    41    42   0.32350  1.0 3.0
   40    38    41    42   0.32350  1.0 3.0
   41    42    44    45   0.00000  1.0 1.0
   41    42    44    47   0.00000  1.0 1.0
   41    42    44    51   0.00000  1.0 1.0
   41    42   -46    47   0.00000  1.0 1.0
   41    42    46    49   0.00000  1.0 1.0
   42    44    47    48  -0.11250  1.0 1.0
   42    44    47    48   0.11400 -1.0 2.0
   42    44    47    48  -0.28950  1.0 3.0
   42    44   -47    46   3.00000 -1.0 2.0
   42    44    51    52   0.00000  1.0 1.0
   42    44    51    56  -0.43950  1.0 1.0
   42    44    51    56  -0.08100 -1.0 2.0
   42    44    51    56   0.03350  1.0 3.0
   42    46   -49    33   0.00000  1.0 1.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    53   0.00000  1.0 1.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42   -46    47   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   44    42   -46    47   0.00000  1.0 1.0
   44    42    46    49   0.00000  1.0 1.0
   44    47   -46    42   3.00000 -1.0 2.0
   44    47   -46    49   3.00000 -1.0 2.0
   44    51    56    57   3.04450 -1.0 2.0
   44    51    56    58   1.49850  1.0 1.0
   44    51    56    58   1.53950 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    46   0.00000  1.0 1.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    56   0.00000  1.0 1.0
   47    44    51    52   0.00000  1.0 1.0
   47    44    51    56  -0.42300  1.0 1.0
   47    44    51    56  -0.07000 -1.0 2.0
   47    44    51    56   0.04150  1.0 3.0
   47    46    49    33   0.00000  1.0 1.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   0.00000  1.0 1.0
   48    47   -46    42   3.00000 -1.0 2.0
   48    47    46    49   3.00000 -1.0 2.0
   46    42   -44    45   0.15000  1.0 3.0
   46    42   -44    47   3.00000 -1.0 2.0
   46    42    44    51   2.20050  1.0 1.0
   46    42    44    51   0.63450 -1.0 2.0
   46    42    44    51  -0.91300  1.0 3.0
   46    49    53    54   0.00000  1.0 1.0
   46    49    53    55   0.00000  1.0 1.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.44750  1.0 1.0
   49    33   -38    41  -0.17800 -1.0 2.0
   49    33   -38    41   0.20200  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   51    44    47    48   0.30150 -1.0 2.0
   51    44   -47    46   0.00000  1.0 1.0
   51    56    58    59   1.50000 -1.0 2.0
   51    56    58    60   1.50000 -1.0 2.0
   52    51    56    57   2.45000 -1.0 2.0
   52    51    56    58   2.56700 -1.0 2.0
   56    58    59    61   0.30050 -1.0 2.0
   56    58    59    61   0.16600  1.0 3.0
   56    58    59    70   0.30050 -1.0 2.0
   56    58    59    70   0.16600  1.0 3.0
   56    58    60    63   6.00000 -1.0 2.0
   57    56    58    59   1.00000 -1.0 2.0
   57    56    58    60   1.00000 -1.0 2.0
   58    59    61    62   3.62500 -1.0 2.0
   58    59    61    64   3.62500 -1.0 2.0
   58    59    70    69   3.62500 -1.0 2.0
   58    60    63    65   1.50000 -1.0 2.0
   59    58    60    63   6.00000 -1.0 2.0
   59    61   -64    69   3.62500 -1.0 2.0
   61    59   -70    69   2.40000 -1.0 2.0
   61    64   -69    70   3.62500 -1.0 2.0
   61    64    69    71   3.62500 -1.0 2.0
   62    61    64    69   3.62500 -1.0 2.0
   64    69   -70    59   3.62500 -1.0 2.0
   64    69    71    72   0.47600 -1.0 2.0
   64    69    71    73   0.47600 -1.0 2.0
   70    59    61    62   3.62500 -1.0 2.0
   70    59   -61    64   3.62500 -1.0 2.0
   70    69    71    72   1.75000 -1.0 2.0
   70    69    71    73   1.75000 -1.0 2.0
   71    69    70    59   3.62500 -1.0 2.0
   60    58    59    61   1.02250 -1.0 2.0
   60    58    59    70   1.02250 -1.0 2.0
   60    63    65    66   0.37500  1.0 3.0
   60    63    65    67   0.37500  1.0 3.0
   60    63    65    68   0.37500  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
   44    46    47    48  10.50000 -1.0 2.0
   49    47    46    42   1.00000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
   52    56    51    44   1.00000 -1.0 2.0
   51    58    56    57  10.50000 -1.0 2.0
   56    59    58    60  10.50000 -1.0 2.0
   61    70    59    58   4.00000 -1.0 2.0
   64    62    61    59   1.10000 -1.0 2.0
   70    71    69    64   4.00000 -1.0 2.0
   73    69    71    72   1.00000 -1.0 2.0
END
