* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    145    228     434
    1     0 S   NP   _N1_     1    28.67721    97.09921   -24.49969
    2     1 S   H    _HN1     2     1.02828    40.90916   179.74436
    3     1 S   H    _H1_     3     1.02789   111.37329   -87.26736
    4     1 S   H    _H2_     4     1.02949    67.35739    14.47543
    5     1 S   CT   _CA1     5     1.50116   134.25028   111.43180
    6     5 S   HC   _HA1     6     1.09573   105.18299    99.82657
    7     5 S   CO3  _C1_     7     1.53785   112.50250   -20.40655
    8     7 S   O2Z  _O11     8     1.26374   115.00678   -41.70560
    9     7 S   O2Z  _O12     9     1.26241   114.94974   137.43125
   10     5 S   CT   _CB1    10     1.53076   107.42092  -142.17049
   11    10 S   HC   HB11    11     1.09836   109.36679   -49.45135
   12    10 S   HC   HB12    12     1.09812   110.44669    67.15825
   13    10 S   CT   _CG1    13     1.52999   112.61874  -170.41093
   14    13 S   HC   HG11    14     1.09577   110.67168   -66.24276
   15    13 S   HC   HG12    15     1.09671   109.74857    52.99684
   16    13 S   C    _CD1    16     1.51799   112.16711   173.47736
   17    16 S   O    _OE1    17     1.22737   123.25774     8.95350
   18    16 S   N    _N2_    18     1.38641   111.71226  -171.12797
   19    18 S   H    _HN2    19     1.01578   118.95796     1.57744
   20    18 S   CT1  _CA2    20     1.46230   123.41929   177.33553
   21    20 S   HC   _HA2    21     1.09740   109.34745     5.11696
   22    20 S   C    _C2_    22     1.53621   108.73619  -110.37840
   23    22 S   O    _O2_    23     1.23069   122.26472  -148.56504
   24    20 S   CT   _CB2    32     1.53466   111.49294   127.15301
   25    24 S   HC   HB21    33     1.09362   109.52417    56.67525
   26    24 S   HC   HB22    34     1.09446   109.70303   175.51341
   27    22 S   N    _N3_    24     1.38323   113.79167    38.93629
   28    27 S   H    _HN3    25     1.01564   119.60615    -3.24914
   29    24 S   S    _SG2    35     1.82935   111.07302   -65.16686
   30    27 S   CT   _CA3    26     1.45287   123.25078   177.15483
   31    30 S   HC   HA31    27     1.09548   107.50886   -64.76488
   32    30 S   HC   HA32    28     1.09556   107.99569    51.68644
   33    29 S   CT   _C13    36     1.87580   102.33897   169.38726
   34    30 S   CO3  _C3_    29     1.52969   114.05538   173.68385
   35    34 S   O2Z  _O31    30     1.26380   116.06984    -0.64377
   36    34 S   O2Z  _O32    31     1.26426   114.41670   179.41785
   37    33 S   CM   _C12    37     1.52727   104.03067   172.89519
   38    37 S   HC   _H12    38     1.08997   114.35221    65.46444
   39    33 S   CT   _C14    68     1.53887   109.42379    50.70202
   40    39 S   HC   _H13    69     1.09546   111.86859   -70.51562
   41    39 S   HC   _H14    70     1.09638   111.46705   170.75303
   42    39 S   HC   _H15    71     1.09661   112.03855    50.76433
   43    33 S   CT   _C15    72     1.54450   108.71403   -70.80205
   44    43 S   HC   _H16    73     1.09663   111.20273    63.76357
   45    43 S   HC   _H17    74     1.09924   110.98447   -54.04869
   46    37 S   CM   _C11    39     1.34527   127.56006  -115.58247
   47    46 S   HC   _H11    40     1.08509   117.75819     2.39073
   48    43 S   CO3  _C16    75     1.53439   113.41674  -175.39317
   49    48 S   O2Z  _O34    76     1.26324   115.04344   -91.57869
   50    48 S   O2Z  _O33    77     1.26333   115.26225    89.53425
   51    46 S   CT   _C10    41     1.51786   126.23445  -178.07725
   52    51 S   CT   _C5_    42     1.54478   115.40401  -111.50382
   53    51 S   OH   _O35    66     1.43852   109.34606    10.70973
   54    53 S   HO   _H18    67     0.97296   108.09074    56.49641
   55    52 S   CT   _C6_    43     1.55275   110.88978   -54.44601
   56    55 S   HC   _H7_    44     1.09869   109.93416  -179.45035
   57    55 S   HC   _H8_    45     1.09766   110.51342    65.62098
   58    52 S   CT   _C17    53     1.53896    99.80059  -170.13560
   59    58 S   HC   _H19    54     1.09469   113.38300   154.09467
   60    58 S   HC   _H20    55     1.09580   112.48334   -83.15573
   61    52 S   CT   _C4_    62     1.52982   114.66473    70.49572
   62    61 S   HC   _H4_    63     1.09507   111.91485    55.72987
   63    61 S   HC   _H5_    64     1.09523   111.18017   -64.76567
   64    61 S   HC   _H6_    65     1.09575   110.82572   175.41465
   65    55 S   CT   _C7_    46     1.53370   113.41097   -58.39699
   66    65 S   HC   _H3_    47     1.09704   108.94686   -82.09697
   67    65 S   CT   _C8_    48     1.53185   113.29511    38.74658
   68    67 S   HC   _H9_    49     1.09648   110.87131    86.94928
   69    67 S   HC   _H10    50     1.09879   107.16817  -158.94688
   70    65 S   OH   _O37    60     1.42357   110.03532   161.19136
   71    70 S   HO   _H24    61     0.97248   107.52770    56.12296
   72    51 S   CT   _C9_    51     1.55228   116.34376   134.39994
   73    72 S   OS   _O36    52     1.45533   104.02694   167.35230
   74    72 S   CT   _C18    56     1.52659   114.90103   -74.24425
   75    74 S   HC   _H21    57     1.09513   111.50950   -61.62870
   76    74 S   HC   _H22    58     1.09616   110.67198  -178.93357
   77    74 S   HC   _H23    59     1.09436   111.60054    60.35409
  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  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   6   4   3  12   4   2
   1   1  23  19   8   1  18   7   6  11   4   3   6   2   1   1
   9   6  10   5   4   2   1   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    72    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    55    67    72    73    58    74    61    53    54  
   51    52    72    53  
   49    50  
   50  
    0  
   52    55    56    57    65    67    68    69    72    73    58    59    60    74    75    76    77    61    62    63    64    53    54  
   55    56    57    65    66    67    72    73    58    59    60    74    70    61    62    63    64    53    54  
   54    55    58    61    67    72    73    74  
   72  
   56    57    65    66    67    68    69    72    73    58    59    60    70    71    61    62    63    64  
   57    65    66    67    58    70    61  
   65    66    67    58    70    61  
   59    60    74    61    62    63    64    65    67    72    73  
   60    61    72    73  
   61    72    73  
   62    63    64    65    72    73  
   63    64  
   64  
    0  
   66    67    68    69    72    73    74    70    71  
   67    68    69    72    70    71  
   68    69    72    73    74    75    76    77    70    71  
   69    72    73    74    70  
   72    73    74    70  
   71    72  
    0  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   317.000  1.510
   51    52   268.000  1.529
   51    72   268.000  1.529
   51    53   320.000  1.410
   52    55   268.000  1.529
   52    58   268.000  1.529
   52    61   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   320.000  1.410
   72    74   268.000  1.529
   73    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   70    71   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    70.00000  109.69300
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  124.00000
   46    37    38    35.00000  120.00000
   46    51    52    70.00000  112.02700
   46    51    72    70.00000  112.02700
   46    51    53    90.00000  110.39200
   51    46    47    35.00000  117.00000
   51    52    55    58.35000  112.70000
   51    52    58    58.35000  112.70000
   51    52    61    58.35000  112.70000
   51    72    67    58.35000  112.70000
   51    72    73    50.00000  109.50000
   51    72    74    58.35000  112.70000
   51    53    54    55.00000  108.50000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    65    58.35000  112.70000
   52    58    73    50.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   55    65    66    37.50000  110.70000
   55    65    67    58.35000  112.70000
   55    65    70    50.00000  109.50000
   57    55    56    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    57    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    58.35000  112.70000
   65    70    71    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    72    73    50.00000  109.50000
   67    72    74    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    51    52    58.35000  112.70000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    73    58    60.00000  109.50000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   73    58    59    35.00000  109.50000
   73    58    60    35.00000  109.50000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   74    72    73    50.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    50.00000  109.50000
   61    52    55    58.35000  112.70000
   61    52    58    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    51    52    50.00000  109.50000
   53    51    72    50.00000  109.50000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.41150 -1.0 2.0
   33    43    48    50   0.41150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52   0.09850  1.0 1.0
   37    46    51    52   0.15250 -1.0 2.0
   37    46    51    52  -0.50650  1.0 3.0
   37    46    51    72   0.09850  1.0 1.0
   37    46    51    72   0.15250 -1.0 2.0
   37    46    51    72  -0.50650  1.0 3.0
   37    46    51    53   0.67800  1.0 1.0
   37    46    51    53   0.47050 -1.0 2.0
   37    46    51    53  -0.62500  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    52    55   0.34400  1.0 1.0
   46    51    52    55   0.09450 -1.0 2.0
   46    51    52    55   0.11100  1.0 3.0
   46    51    52    58   0.34400  1.0 1.0
   46    51    52    58   0.09450 -1.0 2.0
   46    51    52    58   0.11100  1.0 3.0
   46    51    52    61   0.34400  1.0 1.0
   46    51    52    61   0.09450 -1.0 2.0
   46    51    52    61   0.11100  1.0 3.0
   46    51    72    67   0.34400  1.0 1.0
   46    51    72    67   0.09450 -1.0 2.0
   46    51    72    67   0.11100  1.0 3.0
   46    51    72    73   0.61850  1.0 1.0
   46    51    72    73  -0.22750 -1.0 2.0
   46    51    72    73   0.15300  1.0 3.0
   46    51    72    74   0.34400  1.0 1.0
   46    51    72    74   0.09450 -1.0 2.0
   46    51    72    74   0.11100  1.0 3.0
   46    51    53    54  -0.07800  1.0 1.0
   46    51    53    54  -0.21500 -1.0 2.0
   46    51    53    54  -0.03150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    72   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   51    52    55    56   0.15000  1.0 3.0
   51    52    55    57   0.15000  1.0 3.0
   51    52    55    65   0.56750  1.0 1.0
   51    52    55    65  -0.07550 -1.0 2.0
   51    52    55    65   0.20000  1.0 3.0
   51    52   -58    73   0.62750  1.0 1.0
   51    52   -58    73  -0.30950 -1.0 2.0
   51    52   -58    73   0.27300  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    61    62   0.15000  1.0 3.0
   51    52    61    63   0.15000  1.0 3.0
   51    52    61    64   0.15000  1.0 3.0
   51    72   -73    58   0.06250  1.0 1.0
   51    72   -73    58  -0.01100 -1.0 2.0
   51    72   -73    58   0.28050  1.0 3.0
   51    72    74    75   0.15000  1.0 3.0
   51    72    74    76   0.15000  1.0 3.0
   51    72    74    77   0.15000  1.0 3.0
   52    51    72    67   0.56750  1.0 1.0
   52    51    72    67  -0.07550 -1.0 2.0
   52    51    72    67   0.20000  1.0 3.0
   52    51   -72    73   0.62750  1.0 1.0
   52    51   -72    73  -0.30950 -1.0 2.0
   52    51   -72    73   0.27300  1.0 3.0
   52    51    72    74   0.56750  1.0 1.0
   52    51    72    74  -0.07550 -1.0 2.0
   52    51    72    74   0.20000  1.0 3.0
   52    51    53    54  -0.11600  1.0 1.0
   52    51    53    54  -0.09450 -1.0 2.0
   52    51    53    54   0.21250  1.0 3.0
   52    55    65    66   0.15000  1.0 3.0
   52    55   -65    67   0.56750  1.0 1.0
   52    55   -65    67  -0.07550 -1.0 2.0
   52    55   -65    67   0.20000  1.0 3.0
   52    55    65    70   0.86500  1.0 1.0
   52    55    65    70  -0.17500 -1.0 2.0
   52    55    65    70   0.20800  1.0 3.0
   55    52    58    73   0.62750  1.0 1.0
   55    52    58    73  -0.30950 -1.0 2.0
   55    52    58    73   0.27300  1.0 3.0
   55    52    58    59   0.15000  1.0 3.0
   55    52    58    60   0.15000  1.0 3.0
   55    52    61    62   0.15000  1.0 3.0
   55    52    61    63   0.15000  1.0 3.0
   55    52    61    64   0.15000  1.0 3.0
   55    65    67    68   0.15000  1.0 3.0
   55    65    67    69   0.15000  1.0 3.0
   55    65    67    72   0.56750  1.0 1.0
   55    65    67    72  -0.07550 -1.0 2.0
   55    65    67    72   0.20000  1.0 3.0
   55    65    70    71  -0.11600  1.0 1.0
   55    65    70    71  -0.09450 -1.0 2.0
   55    65    70    71   0.21250  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    70   0.23400  1.0 3.0
   57    55    65    66   0.15000  1.0 3.0
   57    55    65    67   0.15000  1.0 3.0
   57    55    65    70   0.23400  1.0 3.0
   65    67   -72    51   0.56750  1.0 1.0
   65    67   -72    51  -0.07550 -1.0 2.0
   65    67   -72    51   0.20000  1.0 3.0
   65    67    72    73   0.62750  1.0 1.0
   65    67    72    73  -0.30950 -1.0 2.0
   65    67    72    73   0.27300  1.0 3.0
   65    67    72    74   0.56750  1.0 1.0
   65    67    72    74  -0.07550 -1.0 2.0
   65    67    72    74   0.20000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71  -0.11600  1.0 1.0
   67    65    70    71  -0.09450 -1.0 2.0
   67    65    70    71   0.21250  1.0 3.0
   67    72    73    58   0.06250  1.0 1.0
   67    72    73    58  -0.01100 -1.0 2.0
   67    72    73    58   0.28050  1.0 3.0
   67    72    74    75   0.15000  1.0 3.0
   67    72    74    76   0.15000  1.0 3.0
   67    72    74    77   0.15000  1.0 3.0
   68    67    72    51   0.15000  1.0 3.0
   68    67    72    73   0.23400  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   69    67    72    51   0.15000  1.0 3.0
   69    67    72    73   0.23400  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   72    51   -52    55   0.56750  1.0 1.0
   72    51   -52    55  -0.07550 -1.0 2.0
   72    51   -52    55   0.20000  1.0 3.0
   72    51   -52    58   0.56750  1.0 1.0
   72    51   -52    58  -0.07550 -1.0 2.0
   72    51   -52    58   0.20000  1.0 3.0
   72    51    52    61   0.56750  1.0 1.0
   72    51    52    61  -0.07550 -1.0 2.0
   72    51    52    61   0.20000  1.0 3.0
   72    51    53    54  -0.11600  1.0 1.0
   72    51    53    54  -0.09450 -1.0 2.0
   72    51    53    54   0.21250  1.0 3.0
   72    73   -58    52   0.06250  1.0 1.0
   72    73   -58    52  -0.01100 -1.0 2.0
   72    73   -58    52   0.28050  1.0 3.0
   72    73    58    59   0.37050  1.0 3.0
   72    73    58    60   0.37050  1.0 3.0
   73    72    74    75   0.23400  1.0 3.0
   73    72    74    76   0.23400  1.0 3.0
   73    72    74    77   0.23400  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    65   0.56750  1.0 1.0
   58    52    55    65  -0.07550 -1.0 2.0
   58    52    55    65   0.20000  1.0 3.0
   58    52    61    62   0.15000  1.0 3.0
   58    52    61    63   0.15000  1.0 3.0
   58    52    61    64   0.15000  1.0 3.0
   74    72    73    58   0.06250  1.0 1.0
   74    72    73    58  -0.01100 -1.0 2.0
   74    72    73    58   0.28050  1.0 3.0
   70    65    67    68   0.23400  1.0 3.0
   70    65    67    69   0.23400  1.0 3.0
   70    65    67    72   0.86500  1.0 1.0
   70    65    67    72  -0.17500 -1.0 2.0
   70    65    67    72   0.20800  1.0 3.0
   61    52    55    56   0.15000  1.0 3.0
   61    52    55    57   0.15000  1.0 3.0
   61    52    55    65   0.56750  1.0 1.0
   61    52    55    65  -0.07550 -1.0 2.0
   61    52    55    65   0.20000  1.0 3.0
   61    52    58    73   0.62750  1.0 1.0
   61    52    58    73  -0.30950 -1.0 2.0
   61    52    58    73   0.27300  1.0 3.0
   61    52    58    59   0.15000  1.0 3.0
   61    52    58    60   0.15000  1.0 3.0
   53    51    52    55   0.86500  1.0 1.0
   53    51    52    55  -0.17500 -1.0 2.0
   53    51    52    55   0.20800  1.0 3.0
   53    51    52    58   0.86500  1.0 1.0
   53    51    52    58  -0.17500 -1.0 2.0
   53    51    52    58   0.20800  1.0 3.0
   53    51    52    61   0.86500  1.0 1.0
   53    51    52    61  -0.17500 -1.0 2.0
   53    51    52    61   0.20800  1.0 3.0
   53    51    72    67   0.86500  1.0 1.0
   53    51    72    67  -0.17500 -1.0 2.0
   53    51    72    67   0.20800  1.0 3.0
   53    51    72    73   3.69350  1.0 1.0
   53    51    72    73  -1.82950 -1.0 2.0
   53    51    72    74   0.86500  1.0 1.0
   53    51    72    74  -0.17500 -1.0 2.0
   53    51    72    74   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -1.63150  1.0 1.0
   39    33    43    48  -0.43550 -1.0 2.0
   39    33    43    48   0.24500  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
END
