* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    143    205     416
    1     0 S   NP   _N1_     1    29.11618    97.71913   -22.25190
    2     1 S   H    _HN1     2     1.02828    49.46536   162.32676
    3     1 S   H    _H1_     3     1.02788    97.44202   -90.45725
    4     1 S   H    _H2_     4     1.02948    64.84776    16.39821
    5     1 S   CT   _CA1     5     1.50121   149.34958   104.28875
    6     5 S   HC   _HA1     6     1.09573   105.18225   102.82523
    7     5 S   CO3  _C1_     7     1.53788   112.48055   -17.40331
    8     7 S   O2Z  _O11     8     1.26377   115.00363   -41.86876
    9     7 S   O2Z  _O12     9     1.26240   114.95193   137.23868
   10     5 S   CT   _CB1    10     1.53076   107.42019  -139.17264
   11    10 S   HC   HB11    11     1.09834   109.37689   -49.39413
   12    10 S   HC   HB12    12     1.09811   110.44785    67.22140
   13    10 S   CT   _CG1    13     1.52994   112.60785  -170.34824
   14    13 S   HC   HG11    14     1.09577   110.66602   -66.11058
   15    13 S   HC   HG12    15     1.09672   109.75131    53.12072
   16    13 S   C    _CD1    16     1.51804   112.17890   173.60273
   17    16 S   O    _OE1    17     1.22736   123.26703     8.81849
   18    16 S   N    _N2_    18     1.38641   111.69021  -171.30842
   19    18 S   H    _HN2    19     1.01585   118.98561     1.58918
   20    18 S   CT1  _CA2    20     1.46215   123.41650   177.30383
   21    20 S   HC   _HA2    21     1.09719   109.38114     4.89349
   22    20 S   C    _C2_    22     1.53664   108.91283  -110.88400
   23    22 S   O    _O2_    23     1.23065   122.11565  -150.91663
   24    20 S   CT   _CB2    32     1.53439   111.51438   127.00520
   25    24 S   HC   HB21    33     1.09410   108.93244    57.06848
   26    24 S   HC   HB22    34     1.09349   109.80348   175.77566
   27    22 S   N    _N3_    24     1.38261   113.87806    36.47698
   28    27 S   H    _HN3    25     1.01551   119.55388    -3.86397
   29    24 S   S    _SG2    35     1.83015   111.49664   -63.74150
   30    27 S   CT   _CA3    26     1.45306   123.31462   177.59076
   31    30 S   HC   HA31    27     1.09550   107.59973   -61.61673
   32    30 S   HC   HA32    28     1.09559   107.91625    54.84768
   33    29 S   CT   _C6_    36     1.87369   101.94597  -176.63739
   34    30 S   CO3  _C3_    29     1.53003   113.89972   176.59389
   35    34 S   O2Z  _O31    30     1.26412   116.02543    -5.87383
   36    34 S   O2Z  _O32    31     1.26410   114.52946   174.14010
   37    33 S   CT   _C7_    37     1.54308   104.64775  -177.02922
   38    37 S   HC   _H9_    38     1.09563   112.29348    63.91788
   39    37 S   HC   _H10    39     1.09600   112.26710   -56.73656
   40    37 S   HC   _H11    40     1.09557   111.04752  -175.96430
   41    33 S   CT   _C5_    41     1.55642   111.29883    64.53747
   42    41 S   HC   _H7_    42     1.09699   108.98095   171.46933
   43    41 S   HC   _H8_    43     1.09703   109.85623   -73.38187
   44    33 S   CT   _C8_    48     1.56717   109.67699   -57.71076
   45    44 S   HC   _H3_    49     1.09342   107.85746    64.94427
   46    41 S   CT   _C4_    44     1.52689   117.12425    50.50731
   47    46 S   HC   _H4_    45     1.09330   112.13553   -65.03215
   48    46 S   HC   _H5_    46     1.09326   111.82995    57.47658
   49    46 S   HC   _H6_    47     1.09553   109.50174   176.30954
   50    44 S   CT   _C9_    50     1.54428   115.57332  -175.03619
   51    50 S   HC   _H12    51     1.09397   110.70685   -52.95590
   52    50 S   HC   _H13    52     1.09659   109.60596    64.93774
   53    44 S   OH   _O35    79     1.43146   111.07709   -51.56164
   54    53 S   HO   _H28    80     0.97155   108.33846   -71.39564
   55    50 S   CT   _C10    53     1.54147   113.37766  -175.71445
   56    55 S   HC   _H14    54     1.09757   108.93848  -178.10514
   57    55 S   HC   _H15    55     1.09758   109.15004   -63.66289
   58    55 S   CM   _C11    56     1.51747   113.87204    60.35926
   59    58 S   CM   _C12    57     1.34785   119.90816  -105.04547
   60    59 S   HC   _H16    58     1.08966   118.11631     0.26980
   61    58 S   CT   _C19    75     1.50391   115.40025    74.02831
   62    61 S   HC   _H25    76     1.09451   110.47618   -58.60457
   63    61 S   HC   _H26    77     1.09491   110.04222    61.01988
   64    61 S   HC   _H27    78     1.09213   113.48981  -178.49234
   65    59 S   CT   _C13    59     1.50258   127.74932   178.47620
   66    65 S   HC   _H17    60     1.09717   107.82561   141.88867
   67    65 S   HC   _H18    61     1.09491   111.60654    26.33781
   68    65 S   CT   _C14    62     1.53321   110.84910   -97.31699
   69    68 S   HC   _H19    63     1.09805   110.34571   -59.21689
   70    68 S   HC   _H20    64     1.09864   109.22091    56.36419
   71    68 S   CM   _C15    65     1.51579   112.17754   178.84852
   72    71 S   CM   _C16    66     1.34549   120.00648  -108.29011
   73    72 S   HC   _H21    67     1.09035   119.05142    -1.64687
   74    71 S   CT   _C18    71     1.50481   115.35283    73.48113
   75    74 S   HC   _H22    72     1.09426   110.43511   -76.25525
   76    74 S   HC   _H23    73     1.09325   113.02456   162.18155
   77    74 S   HC   _H24    74     1.09552   110.24573    43.43740
   78    72 S   CO3  _C17    68     1.53118   124.88527   178.40836
   79    78 S   O2Z  _O34    69     1.26322   116.10893   -48.31987
   80    78 S   O2Z  _O33    70     1.26476   114.30510   134.02466
  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  13   5   4   3
  19   2   1   1  11   4   3   2  10   6   5  11   6   3   2   1
   1  10   6   5   2   1  10   4   3  10  12   5   4   2   1   1
   8   5   4  10   4   3   9   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    46    44    45    50    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47    48    49    44    45    50    51    52    55    53    54  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    50    53  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    46    47    48    49    44    45    50    53  
   43    46    47    48    49    44  
   46    47    48    49    44  
   45    50    51    52    55    56    57    58    53    54    46  
   50    51    52    55    53    54  
   47    48    49  
   48    49  
   49  
    0  
   51    52    55    56    57    58    59    61    53    54  
   52    55    56    57    58    53  
   55    56    57    58    53  
   54    55  
    0  
   56    57    58    59    60    65    61    62    63    64  
   57    58    59    61  
   58    59    61  
   59    60    65    66    67    68    61    62    63    64  
   60    65    66    67    68    69    70    71    61    62    63    64  
   65    66    67    68    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    78    74    75    76    77  
   70    71    72    74  
   71    72    74  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80  
   80  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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
   78   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.510
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   549.000  1.340
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   230.000  1.545
   78    79   656.000  1.250
   78    80   656.000  1.250
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    50    58.35000  112.70000
   33    44    53    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    55    58.35000  112.70000
   44    53    54    55.00000  108.50000
   50    44    45    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    58    59    70.00000  124.00000
   55    58    61    65.00000  117.92700
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    35.00000  120.00000
   58    59    65    70.00000  124.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    70.00000  112.02700
   65    59    60    35.00000  117.00000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    70.00000  124.00000
   68    71    74    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    78    55.00000  124.75400
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    85.00000  113.83300
   72    78    80    85.00000  113.83300
   78    72    73    40.00000  118.53000
   80    78    79    80.00000  126.00000
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    58    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    50    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    50   0.44750  1.0 1.0
   29    33    44    50  -0.17800 -1.0 2.0
   29    33    44    50   0.20200  1.0 3.0
   29    33    44    53   0.56750  1.0 1.0
   29    33    44    53  -0.07550 -1.0 2.0
   29    33    44    53   0.20000  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   33    44    50    51   0.15000  1.0 3.0
   33    44    50    52   0.15000  1.0 3.0
   33    44    50    55   0.56750  1.0 1.0
   33    44    50    55  -0.07550 -1.0 2.0
   33    44    50    55   0.20000  1.0 3.0
   33    44    53    54  -0.11600  1.0 1.0
   33    44    53    54  -0.09450 -1.0 2.0
   33    44    53    54   0.21250  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    46   0.56750  1.0 1.0
   37    33    41    46  -0.07550 -1.0 2.0
   37    33    41    46   0.20000  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    50   0.56750  1.0 1.0
   37    33    44    50  -0.07550 -1.0 2.0
   37    33    44    50   0.20000  1.0 3.0
   37    33    44    53   0.86500  1.0 1.0
   37    33    44    53  -0.17500 -1.0 2.0
   37    33    44    53   0.20800  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    50   0.56750  1.0 1.0
   41    33    44    50  -0.07550 -1.0 2.0
   41    33    44    50   0.20000  1.0 3.0
   41    33    44    53   0.86500  1.0 1.0
   41    33    44    53  -0.17500 -1.0 2.0
   41    33    44    53   0.20800  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    49   0.15000  1.0 3.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    46   0.56750  1.0 1.0
   44    33    41    46  -0.07550 -1.0 2.0
   44    33    41    46   0.20000  1.0 3.0
   44    50    55    56   0.15000  1.0 3.0
   44    50    55    57   0.15000  1.0 3.0
   44    50    55    58   0.34400  1.0 1.0
   44    50    55    58   0.09450 -1.0 2.0
   44    50    55    58   0.11100  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    55   0.15000  1.0 3.0
   45    44    53    54   0.19450  1.0 3.0
   50    44    53    54  -0.11600  1.0 1.0
   50    44    53    54  -0.09450 -1.0 2.0
   50    44    53    54   0.21250  1.0 3.0
   50    55    58    59   0.09850  1.0 1.0
   50    55    58    59   0.15250 -1.0 2.0
   50    55    58    59  -0.50650  1.0 3.0
   50    55    58    61   0.46850  1.0 1.0
   50    55    58    61   0.08550 -1.0 2.0
   50    55    58    61   0.09800  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    58   0.15000  1.0 3.0
   55    58    59    60   7.00000 -1.0 2.0
   55    58    59    65   7.00000 -1.0 2.0
   55    58    61    62   0.34800  1.0 3.0
   55    58    61    63   0.34800  1.0 3.0
   55    58    61    64   0.34800  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    61   0.34800  1.0 3.0
   57    55    58    59   0.00000  1.0 1.0
   57    55    58    61   0.34800  1.0 3.0
   58    59    65    66   0.00000  1.0 1.0
   58    59    65    67   0.00000  1.0 1.0
   58    59    65    68   0.09850  1.0 1.0
   58    59    65    68   0.15250 -1.0 2.0
   58    59    65    68  -0.50650  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    64   0.00000  1.0 1.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    71   0.31000  1.0 1.0
   59    65    68    71   0.14700 -1.0 2.0
   59    65    68    71   0.07550  1.0 3.0
   60    59    65    66   0.33100  1.0 3.0
   60    59    65    67   0.33100  1.0 3.0
   60    59    65    68   0.00000  1.0 1.0
   65    68    71    72   0.09850  1.0 1.0
   65    68    71    72   0.15250 -1.0 2.0
   65    68    71    72  -0.50650  1.0 3.0
   65    68    71    74   0.46850  1.0 1.0
   65    68    71    74   0.08550 -1.0 2.0
   65    68    71    74   0.09800  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    72    73   7.00000 -1.0 2.0
   68    71    72    78   7.00000 -1.0 2.0
   68    71    74    75   0.34800  1.0 3.0
   68    71    74    76   0.34800  1.0 3.0
   68    71    74    77   0.34800  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    74   0.34800  1.0 3.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    74   0.34800  1.0 3.0
   71    72    78    79  -0.04000 -1.0 2.0
   71    72    78    79  -0.29050  1.0 3.0
   71    72    78    80  -0.04000 -1.0 2.0
   71    72    78    80  -0.29050  1.0 3.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   74    71    72    73   7.00000 -1.0 2.0
   74    71    72    78   7.00000 -1.0 2.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    65   7.00000 -1.0 2.0
   53    44    50    51   0.23400  1.0 3.0
   53    44    50    52   0.23400  1.0 3.0
   53    44    50    55   0.86500  1.0 1.0
   53    44    50    55  -0.17500 -1.0 2.0
   53    44    50    55   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   55    61    58    59  15.00000 -1.0 2.0
   65    60    59    58  15.00000 -1.0 2.0
   68    74    71    72  15.00000 -1.0 2.0
   78    73    72    71  15.00000 -1.0 2.0
   79    72    78    80  10.50000 -1.0 2.0
END
