* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    156    250     468
    1     0 S   NP   _N1_     1    29.14451    98.40371   -23.70511
    2     1 S   H    _HN1     2     1.02950    57.92419    15.86737
    3     1 S   H    _H1_     3     1.02829    51.86100   174.74119
    4     1 S   H    _H2_     4     1.02786   106.94836   -85.53144
    5     1 S   CT   _CA1     5     1.50107   140.73950    99.17637
    6     5 S   HC   _HA1     6     1.09573   105.20861   113.78038
    7     5 S   CO3  _C1_     7     1.53795   112.45503    -6.47863
    8     7 S   O2Z  _O11     8     1.26372   115.01216   -42.86015
    9     7 S   O2Z  _O12     9     1.26241   114.94597   136.31580
   10     5 S   CT   _CB1    10     1.53084   107.42477  -128.22729
   11    10 S   HC   HB11    11     1.09831   109.39825   -49.76070
   12    10 S   HC   HB12    12     1.09814   110.43498    66.85271
   13    10 S   CT   _CG1    13     1.52984   112.59249  -170.74301
   14    13 S   HC   HG11    14     1.09583   110.60926   -64.98313
   15    13 S   HC   HG12    15     1.09669   109.80896    54.24249
   16    13 S   C    _CD1    16     1.51797   112.26281   174.70872
   17    16 S   O    _OE1    17     1.22727   123.29995     5.67727
   18    16 S   N    _N2_    18     1.38651   111.64058  -174.43493
   19    18 S   H    _HN2    19     1.01581   118.93332     1.89238
   20    18 S   CT1  _CA2    20     1.46193   123.40408   177.85087
   21    20 S   HC   _HA2    21     1.09735   109.37702     1.76236
   22    20 S   C    _C2_    22     1.53539   108.57637  -113.73536
   23    22 S   O    _O2_    23     1.23056   122.30280  -147.74021
   24    20 S   CT   _CB2    32     1.53324   111.56740   123.77576
   25    24 S   HC   HB21    33     1.09589   110.07935    56.19768
   26    24 S   HC   HB22    34     1.09466   109.96844   175.28752
   27    22 S   N    _N3_    24     1.38337   113.67666    39.69398
   28    27 S   H    _HN3    25     1.01590   119.57665    -3.32296
   29    24 S   S    _SG2    35     1.82863   111.51278   -64.74479
   30    27 S   CT   _CA3    26     1.45287   123.20277   177.12227
   31    30 S   HC   HA31    27     1.09550   107.50889   -64.59347
   32    30 S   HC   HA32    28     1.09558   107.98475    51.84179
   33    29 S   CT   _C10    36     1.84093    99.65423   172.76627
   34    33 S   HC   _H3_    37     1.09703   106.19817   -51.60036
   35    30 S   CO3  _C3_    29     1.52959   114.08439   173.84295
   36    35 S   O2Z  _O31    30     1.26374   116.06667    -0.63581
   37    35 S   O2Z  _O32    31     1.26427   114.41576   179.42529
   38    33 S   CA   _C9_    38     1.51861   111.79668    67.94654
   39    33 S   CT   _C11    71     1.54104   108.43138  -167.33478
   40    39 S   HC   _H13    72     1.09600   110.29133   -65.81645
   41    39 S   HC   _H14    73     1.09753   110.33756    53.69707
   42    38 S   CA   _C4_    39     1.40150   122.13636    64.36178
   43    42 S   HA   _H9_    40     1.08711   120.73181    -0.76898
   44    39 S   CO4  _C12    74     1.52334   111.92336   172.06754
   45    44 S   O    _O33    75     1.22894   122.35769   -30.03093
   46    42 S   CA   _C5_    41     1.39695   120.63435   179.39672
   47    46 S   HA   _H10    42     1.08758   119.16736   180.00000
   48    44 S   CA   _C13    76     1.48841   118.77329   150.57475
   49    46 S   CA   _C6_    43     1.39740   120.74687    -0.00000
   50    48 S   CA   _C14    77     1.40119   119.99477    28.78480
   51    50 S   HA   _H15    78     1.08656   121.51526     0.89109
   52    49 S   CA   _C7_    44     1.39459   119.05012    -0.01978
   53    52 S   HA   _H11    45     1.08526   122.12029  -179.56479
   54    49 S   OS   _O36    48     1.36858   114.75899  -179.81025
   55    50 S   CA   _C15    79     1.39663   120.27837  -179.93147
   56    55 S   HA   _H16    80     1.08657   119.80347  -180.00000
   57    38 S   CA   _C8_    46     1.40265   119.61324  -116.23443
   58    57 S   HA   _H12    47     1.08794   120.26881     0.25334
   59    54 S   CO   _C19    49     1.43595   118.03995  -178.33387
   60    59 S   HC   _H4_    50     1.09900   109.18799    51.71704
   61    55 S   CA   _C16    81     1.39150   119.78879    -0.18557
   62    59 S   CT   _C20    51     1.53625   106.91377   169.76432
   63    62 S   HC   _H5_    52     1.09687   109.92959    52.85584
   64    61 S   CA   _C17    82     1.39214   120.75734    -0.23490
   65    64 S   HA   _H17    83     1.08645   120.70748  -179.85329
   66    61 S   OH   _O35    87     1.36611   118.15747   179.92338
   67    66 S   HO   _H19    88     0.97252   108.61681   179.91844
   68    62 S   CT   _C21    53     1.53145   111.28974   174.77757
   69    68 S   HC   _H6_    54     1.09668   110.21730    73.68842
   70    62 S   OH   _O41    69     1.42946   109.98684   -63.81665
   71    70 S   HO   _H25    70     0.97233   108.26376   -62.08887
   72    48 S   CA   _C18    84     1.40344   120.85941  -151.90986
   73    68 S   CT   _C22    55     1.53193   111.40608   -48.97868
   74    73 S   HC   _H7_    56     1.09703   109.07335   -71.55872
   75    68 S   OH   _O40    67     1.42938   109.63038  -170.46762
   76    75 S   HO   _H24    68     0.97242   108.15080    60.83233
   77    72 S   OH   _O34    85     1.36933   123.18591     0.50937
   78    77 S   HO   _H18    86     0.97377   108.93061    -5.75585
   79    73 S   CT   _C23    57     1.53185   110.58424    49.65156
   80    79 S   HC   _H8_    58     1.09837   110.96211    64.01113
   81    73 S   OH   _O39    65     1.42584   109.71425   171.56329
   82    81 S   HO   _H23    66     0.97252   108.23246   -57.80140
   83    59 S   OS   _O37    59     1.42965   111.16189   -70.96376
   84    79 S   CT   _C24    60     1.52948   111.65645  -175.11681
   85    84 S   HC   _H20    61     1.09500   111.02486    69.48093
   86    84 S   HC   _H21    62     1.09394   111.58212   -52.98657
   87    84 S   OH   _O38    63     1.42525   108.95691  -171.89584
   88    87 S   HO   _H22    64     0.97247   107.00517  -177.93474
  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   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   8   3   7   3  10
   9   8   4   5   3   9   7   3   1   1  13   6   6  12   7   6
   3   2   1  13   7   4   1   2  12   7   3   1   1   1   9   6
   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    53    57    58    39    40    41    44  
   40    41    44    45    48    50    72    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    57    58    54  
   46    47    49    57  
   45    48    50    51    55    64    72    77  
   48    50    72  
   47    49    52    53    57    54    59  
   49    52    54  
   50    51    55    56    61    64    65    72    77    78  
   52    53    57    58    54    59    60    62    83  
   51    55    56    61    64    72    77    66  
   55    56    61    72  
   53    57    58    54    59  
   57    58    54  
   59    60    62    63    68    79    83    70    57  
   56    61    64    65    72    66    67  
   61    64    66  
   58  
    0  
   60    62    63    68    69    73    79    80    83    84    75    70    71  
   62    63    68    79    83    70  
   64    65    72    77    66    67  
   63    68    69    73    74    79    83    81    75    76    70    71  
   68    69    73    83    75    70    71  
   65    72    77    78    66    67  
   72    77    66  
   67    72  
    0  
   69    73    74    79    80    83    84    81    82    75    76    70    71  
   73    74    79    81    75    76    70  
   71    73    75    83  
    0  
   77    78  
   74    79    80    83    84    85    86    87    81    82    75    76  
   79    80    83    84    81    82    75  
   76    79    81  
    0  
   78  
    0  
   80    83    84    85    86    87    88    81    82  
   83    84    85    86    87    81  
   82    83    84  
    0  
   84    85    86    87  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   54    59   320.000  1.380
   59    60   340.000  1.090
   59    62   250.000  1.527
   59    83   320.000  1.380
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   320.000  1.410
   68    69   340.000  1.090
   68    73   268.000  1.529
   68    75   320.000  1.410
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    83   320.000  1.410
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.410
   87    88   553.000  0.945
   81    82   553.000  0.945
   75    76   553.000  0.945
   70    71   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   310.000  1.470
   48    50   469.000  1.400
   48    72   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    64   469.000  1.400
   61    66   450.000  1.364
   64    65   367.000  1.080
   64    72   469.000  1.400
   72    77   450.000  1.364
   77    78   553.000  0.945
   66    67   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  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    54    59   100.00000  112.36700
   52    57    58    35.00000  120.00000
   57    38    42    63.00000  120.00000
   57    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    62    90.00000  108.56700
   54    59    83    92.60000  111.55000
   59    62    63    45.00000  108.72000
   59    62    68    75.00000  109.43000
   59    62    70    90.00000  111.58700
   59    83    79    60.00000  109.50000
   62    59    60    45.00000  112.01100
   62    68    69    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    68    75    50.00000  109.50000
   62    70    71    55.00000  108.50000
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    79    58.35000  112.70000
   68    73    81    50.00000  109.50000
   68    75    76    55.00000  108.50000
   73    68    69    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    83    50.00000  109.50000
   73    79    84    58.35000  112.70000
   73    81    82    55.00000  108.50000
   79    73    74    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    50.00000  109.50000
   83    59    60    35.00000  109.50000
   83    59    62    90.00000  108.56700
   83    79    80    35.00000  109.50000
   84    79    80    37.50000  110.70000
   84    79    83    50.00000  109.50000
   84    87    88    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   75    68    69    35.00000  109.50000
   75    68    73    50.00000  109.50000
   70    62    63    35.00000  109.50000
   70    62    68    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    60.00000  119.52600
   44    48    72    60.00000  119.52600
   48    44    45    75.00000  123.78400
   48    50    51    35.00000  120.00000
   48    50    55    63.00000  120.00000
   48    72    64    63.00000  120.00000
   48    72    77    70.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    61    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    61    64    63.00000  120.00000
   55    61    66    70.00000  120.00000
   61    55    56    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    72    63.00000  120.00000
   61    66    67    35.00000  113.00000
   64    72    77    70.00000  120.00000
   72    48    50    63.00000  120.00000
   72    64    65    35.00000  120.00000
   72    77    78    35.00000  113.00000
   66    61    64    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.05850 -1.0 2.0
   33    39    44    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    57    52   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    54    59   1.63200 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -57    38   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    54    59    60   0.08050  1.0 3.0
   49    54    59    62  -0.32850  1.0 1.0
   49    54    59    62  -0.35800 -1.0 2.0
   49    54    59    62   0.33950  1.0 3.0
   49    54    59    83  -0.25600  1.0 1.0
   49    54    59    83  -0.40050 -1.0 2.0
   49    54    59    83   0.34700  1.0 3.0
   52    49    54    59   1.63200 -1.0 2.0
   53    52    57    38   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    57   3.62500 -1.0 2.0
   54    59    62    63   0.23400  1.0 3.0
   54    59    62    68   0.62750  1.0 1.0
   54    59    62    68  -0.30950 -1.0 2.0
   54    59    62    68   0.27300  1.0 3.0
   54    59    62    70   3.69350  1.0 1.0
   54    59    62    70  -1.82950 -1.0 2.0
   54    59    83    79  -0.81800  1.0 1.0
   59    62    68    69   0.15000  1.0 3.0
   59    62    68    73   3.97050  1.0 1.0
   59    62    68    75   0.86500  1.0 1.0
   59    62    68    75  -0.17500 -1.0 2.0
   59    62    68    75   0.20800  1.0 3.0
   59    62    70    71  -0.11600  1.0 1.0
   59    62    70    71  -0.09450 -1.0 2.0
   59    62    70    71   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    68   0.15000  1.0 3.0
   60    59    62    70   0.23400  1.0 3.0
   60    59    83    79   0.37050  1.0 3.0
   62    59    83    79   0.06250  1.0 1.0
   62    59    83    79  -0.01100 -1.0 2.0
   62    59    83    79   0.28050  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68   -73    79   0.56750  1.0 1.0
   62    68   -73    79  -0.07550 -1.0 2.0
   62    68   -73    79   0.20000  1.0 3.0
   62    68    73    81   0.86500  1.0 1.0
   62    68    73    81  -0.17500 -1.0 2.0
   62    68    73    81   0.20800  1.0 3.0
   62    68    75    76  -0.11600  1.0 1.0
   62    68    75    76  -0.09450 -1.0 2.0
   62    68    75    76   0.21250  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    73   0.15000  1.0 3.0
   63    62    68    75   0.23400  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71  -0.11600  1.0 1.0
   68    62    70    71  -0.09450 -1.0 2.0
   68    62    70    71   0.21250  1.0 3.0
   68    73    79    80   0.15000  1.0 3.0
   68    73    79    83   0.62750  1.0 1.0
   68    73    79    83  -0.30950 -1.0 2.0
   68    73    79    83   0.27300  1.0 3.0
   68    73    79    84   0.56750  1.0 1.0
   68    73    79    84  -0.07550 -1.0 2.0
   68    73    79    84   0.20000  1.0 3.0
   68    73    81    82  -0.11600  1.0 1.0
   68    73    81    82  -0.09450 -1.0 2.0
   68    73    81    82   0.21250  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    79   0.15000  1.0 3.0
   69    68    73    81   0.23400  1.0 3.0
   69    68    75    76   0.19450  1.0 3.0
   73    68    75    76  -0.11600  1.0 1.0
   73    68    75    76  -0.09450 -1.0 2.0
   73    68    75    76   0.21250  1.0 3.0
   73    79   -83    59   0.06250  1.0 1.0
   73    79   -83    59  -0.01100 -1.0 2.0
   73    79   -83    59   0.28050  1.0 3.0
   73    79    84    85   0.15000  1.0 3.0
   73    79    84    86   0.15000  1.0 3.0
   73    79    84    87   0.86500  1.0 1.0
   73    79    84    87  -0.17500 -1.0 2.0
   73    79    84    87   0.20800  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    83   0.23400  1.0 3.0
   74    73    79    84   0.15000  1.0 3.0
   74    73    81    82   0.19450  1.0 3.0
   79    73    81    82  -0.11600  1.0 1.0
   79    73    81    82  -0.09450 -1.0 2.0
   79    73    81    82   0.21250  1.0 3.0
   79    84    87    88  -0.11600  1.0 1.0
   79    84    87    88  -0.09450 -1.0 2.0
   79    84    87    88   0.21250  1.0 3.0
   80    79    83    59   0.37050  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.23400  1.0 3.0
   83    59    62    63   0.23400  1.0 3.0
   83    59   -62    68   0.62750  1.0 1.0
   83    59   -62    68  -0.30950 -1.0 2.0
   83    59   -62    68   0.27300  1.0 3.0
   83    59    62    70   3.69350  1.0 1.0
   83    59    62    70  -1.82950 -1.0 2.0
   83    79    84    85   0.23400  1.0 3.0
   83    79    84    86   0.23400  1.0 3.0
   83    79    84    87   3.69350  1.0 1.0
   83    79    84    87  -1.82950 -1.0 2.0
   84    79    83    59   0.06250  1.0 1.0
   84    79    83    59  -0.01100 -1.0 2.0
   84    79    83    59   0.28050  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    83   3.69350  1.0 1.0
   81    73    79    83  -1.82950 -1.0 2.0
   81    73    79    84   0.86500  1.0 1.0
   81    73    79    84  -0.17500 -1.0 2.0
   81    73    79    84   0.20800  1.0 3.0
   75    68    73    74   0.23400  1.0 3.0
   75    68    73    79   0.86500  1.0 1.0
   75    68    73    79  -0.17500 -1.0 2.0
   75    68    73    79   0.20800  1.0 3.0
   75    68    73    81   3.75450  1.0 1.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    73   0.86500  1.0 1.0
   70    62    68    73  -0.17500 -1.0 2.0
   70    62    68    73   0.20800  1.0 3.0
   70    62    68    75   3.75450  1.0 1.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    44    48    50   2.26350  1.0 1.0
   39    44    48    50   0.76750 -1.0 2.0
   39    44    48    50   0.22500  1.0 3.0
   39    44    48    72   2.26350  1.0 1.0
   39    44    48    72   0.76750 -1.0 2.0
   39    44    48    72   0.22500  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48    50    55   3.62500 -1.0 2.0
   44    48    72    64   3.62500 -1.0 2.0
   44    48    72    77   3.62500 -1.0 2.0
   45    44    48    50   1.05000 -1.0 2.0
   45    44    48    72   1.05000 -1.0 2.0
   48    50    55    56   3.62500 -1.0 2.0
   48    50    55    61   3.62500 -1.0 2.0
   48    72    77    78   0.84100 -1.0 2.0
   50    48    72    64   3.62500 -1.0 2.0
   50    48    72    77   3.62500 -1.0 2.0
   50    55   -61    64   3.62500 -1.0 2.0
   50    55    61    66   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    61   3.62500 -1.0 2.0
   55    61    64    65   3.62500 -1.0 2.0
   55    61    64    72   3.62500 -1.0 2.0
   55    61    66    67   0.84100 -1.0 2.0
   56    55    61    64   3.62500 -1.0 2.0
   56    55    61    66   3.62500 -1.0 2.0
   61    64   -72    48   3.62500 -1.0 2.0
   61    64    72    77   3.62500 -1.0 2.0
   64    61    66    67   0.84100 -1.0 2.0
   64    72    77    78   0.84100 -1.0 2.0
   65    64    72    48   3.62500 -1.0 2.0
   65    64    72    77   3.62500 -1.0 2.0
   72    48    50    51   3.62500 -1.0 2.0
   72    48   -50    55   3.62500 -1.0 2.0
   66    61    64    65   3.62500 -1.0 2.0
   66    61    64    72   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
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   57    53    52    49   1.10000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   50    72    48    44   4.00000 -1.0 2.0
   55    51    50    48   1.10000 -1.0 2.0
   61    56    55    50   1.10000 -1.0 2.0
   64    66    61    55   4.00000 -1.0 2.0
   72    65    64    61   1.10000 -1.0 2.0
   64    77    72    48   4.00000 -1.0 2.0
END
