* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    163    237     461
    1     0 S   NP   _N1_     1    29.68827    96.07705   -16.78598
    2     1 S   H    _HN1     2     1.02948    57.64101   123.27342
    3     1 S   H    _H1_     3     1.02793    68.22654  -106.80117
    4     1 S   H    _H2_     4     1.02853    81.81065     6.63888
    5     1 S   CT   _CA1     5     1.50507   165.19953   159.22418
    6     5 S   HC   _HA1     6     1.09683   104.55773    31.15256
    7     5 S   CO3  _C1_     7     1.54391   110.79064   -84.72481
    8     7 S   O2Z  _O11     8     1.26009   116.68761  -113.76861
    9     7 S   O2Z  _O12     9     1.26565   113.69517    64.63554
   10     5 S   CT   _CB1    10     1.53084   106.98206   146.96486
   11    10 S   HC   HB11    11     1.09827   109.74654   -44.79002
   12    10 S   HC   HB12    12     1.09776   110.38799    71.92600
   13    10 S   CT   _CG1    13     1.52912   112.23254  -165.47287
   14    13 S   HC   HG11    14     1.09425   110.59641   -59.28264
   15    13 S   HC   HG12    15     1.09635   109.95555    59.66970
   16    13 S   C    _CD1    16     1.51728   112.36307   179.40719
   17    16 S   O    _OE1    17     1.22729   123.28467   -10.60423
   18    16 S   N    _N2_    18     1.38467   111.52201   170.49097
   19    18 S   H    _HN2    19     1.01707   119.03187    -0.49178
   20    18 S   CT1  _CA2    20     1.45942   123.85526   178.61704
   21    20 S   HC   _HA2    21     1.09695   109.17456    -7.70031
   22    20 S   C    _C2_    22     1.53556   108.90030  -123.68262
   23    22 S   O    _O2_    23     1.23080   122.04982  -157.25925
   24    20 S   CT   _CB2    32     1.53444   111.79785   114.41189
   25    24 S   HC   HB21    33     1.09480   110.37582    64.03977
   26    24 S   HC   HB22    34     1.09568   109.93155  -178.76933
   27    22 S   N    _N3_    24     1.38266   113.95486    29.35697
   28    27 S   H    _HN3    25     1.01627   119.31587    -2.80338
   29    24 S   S    _SG2    35     1.83019   112.12750   -60.03738
   30    27 S   CT   _CA3    26     1.45220   123.34505   178.72820
   31    30 S   HC   HA31    27     1.09537   107.52011   -66.50631
   32    30 S   HC   HA32    28     1.09563   107.98788    49.96935
   33    29 S   CT   _C16    36     1.84346   100.44394   125.25368
   34    33 S   HC   _H3_    37     1.09628   105.01736    54.78048
   35    30 S   CO3  _C3_    29     1.52960   114.04314   172.03023
   36    35 S   O2Z  _O31    30     1.26371   116.10247     3.37272
   37    35 S   O2Z  _O32    31     1.26437   114.39965  -176.67716
   38    33 S   CA   _C17    38     1.52106   110.38293   171.24438
   39    33 S   CM   _C15    63     1.51532   110.78599   -64.42313
   40    39 S   HC   _H17    64     1.09084   115.32979   -50.00849
   41    38 S   CA   _C18    39     1.40156   119.74512  -114.16668
   42    41 S   HA   _H18    40     1.08745   120.45109     0.18131
   43    39 S   CMA  _C14    65     1.35711   125.05065   130.54210
   44    43 S   OM   _O39    66     1.26459   129.58208     1.13263
   45    41 S   CA   _C19    41     1.39705   120.67834  -179.60140
   46    45 S   HA   _H19    42     1.08742   119.19385   179.93439
   47    43 S   CA   _C6_    67     1.50128   110.75325   179.01048
   48    45 S   CA   _C20    43     1.39737   120.67893     0.08623
   49    47 S   CA   _C7_    68     1.40850   120.88166   -92.04092
   50    48 S   CA   _C21    44     1.39500   119.15279    -0.05935
   51    50 S   HA   _H20    45     1.08534   122.05493   179.95577
   52    48 S   OS   _O38    48     1.36916   114.91189   179.92338
   53    49 S   CA   _C8_    69     1.39897   120.69820   178.16219
   54    49 S   OH   _O37    93     1.37288   121.76217    -2.04143
   55    54 S   HO   _H16    94     0.97281   108.58926    -6.35539
   56    38 S   CA   _C22    46     1.40451   122.00578    66.32777
   57    56 S   HA   _H21    47     1.08799   120.41173    -0.34605
   58    52 S   CT   _C23    49     1.42612   117.01078  -179.28976
   59    58 S   HC   _H22    50     1.09742   110.71510    59.91050
   60    58 S   HC   _H23    51     1.09738   110.66961   -60.90011
   61    53 S   CA   _C9_    70     1.39915   120.32392     2.09031
   62    53 S   OS   _O36    88     1.37331   119.53715   178.22238
   63    58 S   CA   _C24    52     1.50612   107.86255   179.50071
   64    61 S   CA   _C10    71     1.39890   119.97152    -4.17138
   65    61 S   OS   _O35    83     1.37156   119.03095   177.61411
   66    62 S   CT   _C13    89     1.42831   109.93105    95.12937
   67    66 S   HC   _H13    90     1.09406   107.76813  -175.02205
   68    66 S   HC   _H14    91     1.09468   111.00589    66.97094
   69    66 S   HC   _H15    92     1.09564   111.56253   -56.65142
   70    63 S   CA   _C25    53     1.40148   120.44404   -88.89171
   71    70 S   HA   _H24    54     1.08723   120.34621    -0.98755
   72    47 S   CA   _C5_    72     1.41276   120.93565    87.38521
   73    64 S   OS   _O34    78     1.37133   122.96562  -177.40490
   74    65 S   CT   _C12    84     1.42797   110.05356   -94.72471
   75    74 S   HC   _H10    85     1.09404   107.77921   178.29785
   76    74 S   HC   _H11    86     1.09559   111.30029    60.01986
   77    74 S   HC   _H12    87     1.09535   111.27357   -63.47670
   78    70 S   CA   _C26    55     1.39581   120.41805   178.92225
   79    78 S   HA   _H25    56     1.08627   119.94575   179.80820
   80    72 S   OS   _O33    73     1.37665   119.08970    -1.60364
   81    73 S   CT   _C11    79     1.42623   113.24270    58.03639
   82    81 S   HC   _H7_    80     1.09427   107.75879   146.08319
   83    81 S   HC   _H8_    81     1.09551   112.90652    27.05277
   84    81 S   HC   _H9_    82     1.09380   109.95318   -96.62649
   85    78 S   CA   _C27    57     1.39374   120.07049    -0.37009
   86    85 S   HA   _H26    58     1.08616   120.02256  -179.93147
   87    80 S   CT   _C4_    74     1.42775   110.85366   102.62241
   88    87 S   HC   _H4_    75     1.09412   107.71486  -164.09574
   89    87 S   HC   _H5_    76     1.09427   110.74595    78.12524
   90    87 S   HC   _H6_    77     1.09564   112.18827   -45.37476
   91    85 S   CA   _C28    59     1.39375   119.95429    -0.17694
   92    91 S   HA   _H27    60     1.08627   119.98267  -179.64282
   93    63 S   CA   _C29    61     1.40145   120.46371    89.09784
   94    93 S   HA   _H28    62     1.08722   120.35317     0.98616
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   8   3   7   3  11   9
  10   5   3   7  13   4   1   1   1   9   4   3  12   6   9  10
   6   3   2   1   1   8   4   7   5   3   2   1   1   6   3   4
   3   2   1   1   5   3   3   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    51    56    57    39    40    43  
   40    43    44    47    49    72    41    56  
   43    44    47  
   42    45    46    48    50    56    57    52  
   45    46    48    56  
   44    47    49    53    64    72    80    54  
   47    49    72  
   46    48    50    51    56    52    58  
   48    50    52  
   49    53    61    64    72    80    87    73    62    54    55  
   50    51    56    57    52    58    59    60    63  
   53    61    64    72    80    65    62    66    54    55  
   51    56    57    52    58  
   56    57    52  
   58    59    60    63    70    93    56  
   61    64    72    73    65    74    62    66    67    68    69    54    55  
   55    61    62    72  
    0  
   57  
    0  
   59    60    63    70    71    78    91    93    94  
   60    63    70    93  
   63    70    93  
   64    72    80    73    81    65    74    75    76    77    62    66  
   66    67    68    69    64    65  
   70    71    78    79    85    91    92    93    94  
   72    80    87    73    81    82    83    84    65    74  
   74    75    76    77    72    73  
   67    68    69  
   68    69  
   69  
    0  
   71    78    79    85    86    91    93    94  
   78    79    85    93  
   80    87    88    89    90    73    81  
   81    82    83    84    80  
   75    76    77  
   76    77  
   77  
    0  
   79    85    86    91    92    93  
   85    86    91  
   87    88    89    90  
   82    83    84  
   83    84  
   84  
    0  
   86    91    92    93    94  
   91    92    93  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94  
   93    94  
   94  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.181800   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    52   450.000  1.364
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   52    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   317.000  1.510
   63    70   469.000  1.400
   63    93   469.000  1.400
   70    71   367.000  1.080
   70    78   469.000  1.400
   78    79   367.000  1.080
   78    85   469.000  1.400
   85    86   367.000  1.080
   85    91   469.000  1.400
   91    92   367.000  1.080
   91    93   469.000  1.400
   93    94   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    72   469.000  1.400
   49    53   469.000  1.400
   49    54   450.000  1.364
   53    61   469.000  1.400
   53    62   450.000  1.364
   61    64   469.000  1.400
   61    65   450.000  1.364
   64    72   469.000  1.400
   64    73   450.000  1.364
   72    80   450.000  1.364
   80    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   73    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   65    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   54    55   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    50    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    56    63.00000  120.00000
   48    52    58    75.00000  111.00000
   50    56    57    35.00000  120.00000
   56    38    41    63.00000  120.00000
   56    50    51    35.00000  120.00000
   52    48    50    70.00000  120.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    63    85.00000  111.85700
   58    63    70    70.00000  120.00000
   58    63    93    70.00000  120.00000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    70    71    35.00000  120.00000
   63    70    78    63.00000  120.00000
   63    93    91    63.00000  120.00000
   63    93    94    35.00000  120.00000
   70    78    79    35.00000  120.00000
   70    78    85    63.00000  120.00000
   78    70    71    35.00000  120.00000
   78    85    86    35.00000  120.00000
   78    85    91    63.00000  120.00000
   85    78    79    35.00000  120.00000
   85    91    92    35.00000  120.00000
   85    91    93    63.00000  120.00000
   91    85    86    35.00000  120.00000
   91    93    94    35.00000  120.00000
   93    63    70    63.00000  120.00000
   93    91    92    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    72    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    53    63.00000  120.00000
   47    49    54    70.00000  120.00000
   47    72    64    63.00000  120.00000
   47    72    80    70.00000  120.00000
   49    53    61    63.00000  120.00000
   49    53    62    70.00000  120.00000
   49    54    55    35.00000  113.00000
   53    61    64    63.00000  120.00000
   53    61    65    70.00000  120.00000
   53    62    66    75.00000  111.00000
   61    64    72    63.00000  120.00000
   61    64    73    70.00000  120.00000
   61    65    74    75.00000  111.00000
   64    72    80    70.00000  120.00000
   64    73    81    75.00000  111.00000
   72    47    49    63.00000  120.00000
   72    80    87    75.00000  111.00000
   80    87    88    35.00000  109.50000
   80    87    89    35.00000  109.50000
   80    87    90    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   73    64    72    70.00000  120.00000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   65    61    64    70.00000  120.00000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   62    53    61    70.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   54    49    53    70.00000  120.00000
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    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    50   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    50   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    56   3.62500 -1.0 2.0
   45    48    52    58   1.63200 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    50   -56    38   3.62500 -1.0 2.0
   48    50    56    57   3.62500 -1.0 2.0
   48    52    58    59   0.08050  1.0 3.0
   48    52    58    60   0.08050  1.0 3.0
   48    52    58    63  -0.50150  1.0 1.0
   48    52    58    63  -0.23050 -1.0 2.0
   48    52    58    63   0.70600  1.0 3.0
   50    48    52    58   1.63200 -1.0 2.0
   51    50    56    38   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   52    48    50    51   3.62500 -1.0 2.0
   52    48    50    56   3.62500 -1.0 2.0
   52    58    63    70   0.64500  1.0 1.0
   52    58    63    70   0.14800 -1.0 2.0
   52    58    63    70   0.20650  1.0 3.0
   52    58    63    93   0.64500  1.0 1.0
   52    58    63    93   0.14800 -1.0 2.0
   52    58    63    93   0.20650  1.0 3.0
   58    63    70    71   3.62500 -1.0 2.0
   58    63    70    78   3.62500 -1.0 2.0
   58    63    93    91   3.62500 -1.0 2.0
   58    63    93    94   3.62500 -1.0 2.0
   59    58    63    70   0.00000  1.0 1.0
   59    58    63    93   0.00000  1.0 1.0
   60    58    63    70   0.00000  1.0 1.0
   60    58    63    93   0.00000  1.0 1.0
   63    70    78    79   3.62500 -1.0 2.0
   63    70    78    85   3.62500 -1.0 2.0
   70    63    93    91   3.62500 -1.0 2.0
   70    63    93    94   3.62500 -1.0 2.0
   70    78    85    86   3.62500 -1.0 2.0
   70    78   -85    91   3.62500 -1.0 2.0
   71    70    78    79   3.62500 -1.0 2.0
   71    70    78    85   3.62500 -1.0 2.0
   78    85    91    92   3.62500 -1.0 2.0
   78    85    91    93   3.62500 -1.0 2.0
   79    78    85    86   3.62500 -1.0 2.0
   79    78    85    91   3.62500 -1.0 2.0
   85    91   -93    63   3.62500 -1.0 2.0
   85    91    93    94   3.62500 -1.0 2.0
   86    85    91    92   3.62500 -1.0 2.0
   86    85    91    93   3.62500 -1.0 2.0
   92    91    93    63   3.62500 -1.0 2.0
   92    91    93    94   3.62500 -1.0 2.0
   93    63    70    71   3.62500 -1.0 2.0
   93    63   -70    78   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    72   0.15800  1.0 1.0
   39    43    47    72   1.85350 -1.0 2.0
   39    43    47    72  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    53   3.62500 -1.0 2.0
   43    47    49    54   3.62500 -1.0 2.0
   43    47    72    64   3.62500 -1.0 2.0
   43    47    72    80   3.62500 -1.0 2.0
   44    43    47    49  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    72  -0.01750  1.0 1.0
   44    43    47    72  -0.32000 -1.0 2.0
   44    43    47    72   0.00600  1.0 3.0
   47    49    53    61   3.62500 -1.0 2.0
   47    49    53    62   3.62500 -1.0 2.0
   47    49    54    55   0.84100 -1.0 2.0
   47    72    80    87   1.63200 -1.0 2.0
   49    47    72    64   3.62500 -1.0 2.0
   49    47    72    80   3.62500 -1.0 2.0
   49    53   -61    64   3.62500 -1.0 2.0
   49    53    61    65   3.62500 -1.0 2.0
   49    53    62    66   1.63200 -1.0 2.0
   53    49    54    55   0.84100 -1.0 2.0
   53    61    64    72   3.62500 -1.0 2.0
   53    61    64    73   3.62500 -1.0 2.0
   53    61    65    74   1.63200 -1.0 2.0
   53    62    66    67   0.08050  1.0 3.0
   53    62    66    68   0.08050  1.0 3.0
   53    62    66    69   0.08050  1.0 3.0
   61    53    62    66   1.63200 -1.0 2.0
   61    64   -72    47   3.62500 -1.0 2.0
   61    64    72    80   3.62500 -1.0 2.0
   61    64    73    81   1.63200 -1.0 2.0
   61    65    74    75   0.08050  1.0 3.0
   61    65    74    76   0.08050  1.0 3.0
   61    65    74    77   0.08050  1.0 3.0
   64    61    65    74   1.63200 -1.0 2.0
   64    72    80    87   1.63200 -1.0 2.0
   64    73    81    82   0.08050  1.0 3.0
   64    73    81    83   0.08050  1.0 3.0
   64    73    81    84   0.08050  1.0 3.0
   72    47   -49    53   3.62500 -1.0 2.0
   72    47    49    54   3.62500 -1.0 2.0
   72    64    73    81   1.63200 -1.0 2.0
   72    80    87    88   0.08050  1.0 3.0
   72    80    87    89   0.08050  1.0 3.0
   72    80    87    90   0.08050  1.0 3.0
   73    64    72    47   3.62500 -1.0 2.0
   73    64    72    80   3.62500 -1.0 2.0
   65    61    64    72   3.62500 -1.0 2.0
   65    61    64    73   3.62500 -1.0 2.0
   62    53    61    64   3.62500 -1.0 2.0
   62    53    61    65   3.62500 -1.0 2.0
   54    49    53    61   3.62500 -1.0 2.0
   54    49    53    62   3.62500 -1.0 2.0
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
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    52    48    45   4.00000 -1.0 2.0
   56    51    50    48   1.10000 -1.0 2.0
   50    57    56    38   1.10000 -1.0 2.0
   70    93    63    58   4.00000 -1.0 2.0
   78    71    70    63   1.10000 -1.0 2.0
   85    79    78    70   1.10000 -1.0 2.0
   91    86    85    78   1.10000 -1.0 2.0
   93    92    91    85   1.10000 -1.0 2.0
   91    94    93    63   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   49    72    47    43   4.00000 -1.0 2.0
   53    54    49    47   4.00000 -1.0 2.0
   61    62    53    49   4.00000 -1.0 2.0
   64    65    61    53   4.00000 -1.0 2.0
   72    73    64    61   4.00000 -1.0 2.0
   64    80    72    47   4.00000 -1.0 2.0
END
