* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    235     424
    1     0 S   NP   _N1_     1    28.43478    98.92790   -24.07397
    2     1 S   H    _HN1     2     1.02953    65.87764   -16.21641
    3     1 S   H    _H1_     3     1.02834    41.54871   156.41770
    4     1 S   H    _H2_     4     1.02777   116.05729  -115.67616
    5     1 S   CT   _CA1     5     1.50163   129.98101    80.85954
    6     5 S   HC   _HA1     6     1.09577   105.18108   102.77454
    7     5 S   CO3  _C1_     7     1.53763   112.11164   -17.34721
    8     7 S   O2Z  _O11     8     1.26373   114.99513   -48.31138
    9     7 S   O2Z  _O12     9     1.26207   114.90259   130.35556
   10     5 S   CT   _CB1    10     1.53053   107.36212  -139.42278
   11    10 S   HC   HB11    11     1.09839   109.31253   -49.95002
   12    10 S   HC   HB12    12     1.09811   110.48583    66.57526
   13    10 S   CT   _CG1    13     1.53054   112.70743  -170.92117
   14    13 S   HC   HG11    14     1.09585   110.64307   -65.57661
   15    13 S   HC   HG12    15     1.09659   109.84591    53.68151
   16    13 S   C    _CD1    16     1.51854   111.96374   174.07351
   17    16 S   O    _OE1    17     1.22800   123.21847     7.32983
   18    16 S   N    _N2_    18     1.38476   111.98575  -172.80816
   19    18 S   H    _HN2    19     1.01763   119.32786     1.37970
   20    18 S   CT1  _CA2    20     1.45832   122.69784   178.16250
   21    20 S   HC   _HA2    21     1.09737   108.68878    31.02376
   22    20 S   C    _C2_    22     1.52994   107.35576   -86.18082
   23    22 S   O    _O2_    23     1.22962   123.18493   -26.22130
   24    20 S   CT   _CB2    32     1.53140   112.07729   154.17782
   25    24 S   HC   HB21    33     1.09427   109.59344    56.36184
   26    24 S   HC   HB22    34     1.09532   110.48078   174.55457
   27    22 S   N    _N3_    24     1.38530   112.46205   156.45533
   28    27 S   H    _HN3    25     1.01644   120.35542    -2.40241
   29    24 S   S    _SG2    35     1.82775   111.02128   -65.98020
   30    27 S   CT   _CA3    26     1.45353   122.50955   178.57852
   31    30 S   HC   HA31    27     1.09566   107.84881   -55.00266
   32    30 S   HC   HA32    28     1.09560   107.58625    61.34924
   33    29 S   CT   _C20    36     1.83662   101.07322   157.31615
   34    30 S   CO3  _C3_    29     1.52895   114.28738  -176.93120
   35    34 S   O2Z  _O31    30     1.26343   116.05157    -0.09691
   36    34 S   O2Z  _O32    31     1.26435   114.42130   179.86294
   37    33 S   CM   _C21    37     1.50559   112.10178   -96.98092
   38    33 S   CO4  _C19    70     1.52492   105.93389   142.12352
   39    38 S   O    _O36    71     1.23335   121.26282   -91.81770
   40    33 S   OH   _O39    77     1.42593   112.59877    27.16892
   41    40 S   HO   _H15    78     0.97273   106.73060    55.24955
   42    37 S   CMA  _C23    38     1.36382   127.62615  -112.65949
   43    42 S   OM   _O38    39     1.27233   128.02810  -177.80849
   44    37 S   C    _C22    72     1.50156   115.62019    70.24352
   45    44 S   O    _O37    73     1.22664   122.43137   -77.83865
   46    42 S   CT   _C16    40     1.58581   118.22925     0.45456
   47    46 S   OM   _O40    41     1.32909   112.23378   143.91985
   48    44 S   N    _N4_    74     1.37433   113.19076   101.13527
   49    48 S   H    _H13    75     1.01466   121.71600     3.06248
   50    48 S   H    _H14    76     1.01266   120.68407   179.68225
   51    46 S   CO4  _C15    42     1.54576   110.10738   -97.10957
   52    51 S   O    _O35    43     1.23215   122.26950   -18.41231
   53    51 S   CA   _C7_    44     1.50882   119.73971   161.02985
   54    53 S   CA   _C6_    45     1.39739   120.41509   -12.99481
   55    54 S   CA   _C5_    46     1.42897   119.46494   178.97664
   56    54 S   CT   _C18    65     1.51631   120.55487     0.73489
   57    56 S   HC   _H11    66     1.09802   107.74857   104.76207
   58    56 S   HC   _H12    67     1.09745   109.47930  -139.03402
   59    55 S   CA   _C10    47     1.45271   121.87119     7.49986
   60    55 S   CT   _C4_    61     1.51803   117.45248  -171.19101
   61    60 S   HC   _H4_    62     1.09352   110.53825   -99.46417
   62    60 S   HC   _H5_    63     1.09307   113.18579    21.45555
   63    60 S   HC   _H6_    64     1.09383   110.57857   136.45115
   64    46 S   CT   _C17    68     1.54166   111.99626    22.80854
   65    64 S   HC   _H3_    69     1.10156   110.83070    65.53870
   66    59 S   CA   _C9_    48     1.42866   117.09478    -9.44565
   67    66 S   CA   _C14    49     1.43045   118.69418  -175.17205
   68    53 S   CA   _C8_    58     1.40796   120.61927   167.04733
   69    67 S   CA   _C13    50     1.39037   123.05017    -1.91234
   70    69 S   HA   _H8_    51     1.08588   121.46285  -179.79923
   71    67 S   OH   _O33    56     1.37624   120.48892   178.27354
   72    71 S   HO   _H9_    57     0.97144   109.69885   179.92598
   73    68 S   OH   _O34    59     1.37949   119.86565    -3.00120
   74    73 S   HO   _H10    60     0.97264   109.87540     1.16062
   75    69 S   CA   _C12    52     1.37594   118.99103    -1.52393
   76    75 S   HA   _H7_    53     1.08777   118.79501  -177.27538
   77    59 S   CA   _C11    54     1.44530   126.86778   170.57685
   78    77 S   Cl   Cl1_    55     1.74022   124.38949    -9.39017
  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   2   1   1  15  14   5   4   1  12   5   5   3  11   6   2
   1   1  10   4  13  15  15   7   3   2  14   5   2   1   1   1
   1  11   9   5   7   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    64    38    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    56    64    65    38    39    44    45    48    40    41  
   35    36  
   36  
    0  
   42    43    46    47    51    64    38    39    44    45    48    49    50    40    41  
   39    44    40    41    42    46    47    51    54    56    57    58    64    65  
   40    46    56    64    65  
   41    42    44    64  
    0  
   43    46    47    51    52    53    56    64    65    44    45    48  
   46    47    51    64    44  
   45    48    49    50    46  
   48    49    50  
   47    51    52    53    54    68    56    57    58    64    65  
   51    52    53    56    64    65  
   49    50  
   50  
    0  
   52    53    54    55    66    68    73    56    64    65  
   53    54    68    64  
   54    55    59    66    67    68    73    74    60    56    57    58    64  
   55    59    66    77    68    73    60    61    62    63    56    57    58    64    65  
   59    66    67    75    77    78    68    60    61    62    63    56    57    58    64  
   57    58    64    65    59    60    68  
   58    64    65  
   64    65  
   66    67    69    75    76    77    78    71    68    73    60    61    62    63  
   61    62    63    66    77  
   62    63  
   63  
    0  
   65  
    0  
   67    69    70    75    77    78    71    72    68    73    74  
   69    70    75    76    77    71    72    68    73  
   73    74    69    71    77  
   70    75    76    77    78    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    44   410.000  1.444
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   570.000  1.307
   46    51   317.000  1.522
   46    64   268.000  1.529
   51    52   570.000  1.229
   51    53   310.000  1.470
   53    54   469.000  1.400
   53    68   469.000  1.400
   54    55   469.000  1.400
   54    56   317.000  1.510
   55    59   469.000  1.400
   55    60   317.000  1.510
   59    66   469.000  1.400
   59    77   469.000  1.400
   66    67   469.000  1.400
   66    68   469.000  1.400
   67    69   469.000  1.400
   67    71   450.000  1.364
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   71    72   553.000  0.945
   68    73   450.000  1.364
   73    74   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    38   317.000  1.522
   38    39   570.000  1.229
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    50   434.000  1.010
   40    41   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  112.20000
   29    33    38    75.00000  110.18000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    70.00000  119.70000
   33    38    64    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   37    44    45    80.00000  125.30000
   37    44    48    80.00000  111.56200
   42    46    47    85.00000  110.90400
   42    46    51    70.00000  109.06800
   42    46    64    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    51    52    80.00000  120.40000
   46    51    53    65.00000  115.47100
   46    64    56    58.35000  112.70000
   46    64    65    37.50000  110.70000
   46    64    38    63.00000  111.10000
   51    46    47    90.00000  108.74100
   51    53    54    60.00000  119.52600
   51    53    68    60.00000  119.52600
   53    51    52    75.00000  123.78400
   53    54    55    63.00000  120.00000
   53    54    56    70.00000  120.00000
   53    68    66    63.00000  120.00000
   53    68    73    70.00000  120.00000
   54    55    59    63.00000  120.00000
   54    55    60    70.00000  120.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    64    70.00000  112.17500
   55    59    66    63.00000  120.00000
   55    59    77    63.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   59    66    67    63.00000  120.00000
   59    66    68    63.00000  120.00000
   59    77    75    63.00000  120.00000
   59    77    78    75.00000  120.00000
   66    67    69    63.00000  120.00000
   66    67    71    70.00000  120.00000
   66    68    73    70.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    75    63.00000  120.00000
   67    71    72    35.00000  113.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    59    66    63.00000  120.00000
   77    75    76    35.00000  120.00000
   71    67    69    70.00000  120.00000
   68    53    54    63.00000  120.00000
   68    66    67    63.00000  120.00000
   68    73    74    35.00000  113.00000
   60    55    59    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  120.00000
   56    64    65    37.50000  110.70000
   56    64    38    63.00000  111.10000
   58    56    57    33.00000  107.80000
   64    46    47    50.00000  109.50000
   64    46    51    63.00000  111.10000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    38    39    80.00000  120.40000
   38    33    37    70.00000  109.06800
   38    64    65    35.00000  109.50000
   44    37    42    60.00000  120.04000
   44    48    49    35.00000  119.80000
   44    48    50    35.00000  119.80000
   48    44    45    80.00000  122.90000
   50    48    49    35.00000  120.00000
   40    33    37    90.00000  110.39200
   40    33    38    90.00000  109.61100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    38    64   0.65300  1.0 1.0
   29    33    38    64  -0.03850 -1.0 2.0
   29    33    38    64   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    44    45  -0.64400  1.0 1.0
   33    37    44    45   0.26850 -1.0 2.0
   33    37    44    48   1.59650  1.0 1.0
   33    37    44    48   0.42750 -1.0 2.0
   33    37    44    48  -0.48350  1.0 3.0
   37    33    38    64   0.65300  1.0 1.0
   37    33    38    64  -0.03850 -1.0 2.0
   37    33    38    64   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    46    47   0.39000  1.0 1.0
   37    42    46    47  -0.05800 -1.0 2.0
   37    42    46    47  -0.55150  1.0 3.0
   37    42    46    51  -0.51250  1.0 1.0
   37    42    46    51  -0.88800 -1.0 2.0
   37    42    46    51   0.08850  1.0 3.0
   37    42   -46    64   0.09850  1.0 1.0
   37    42   -46    64   0.15250 -1.0 2.0
   37    42   -46    64  -0.50650  1.0 3.0
   37    44    48    49   2.56700 -1.0 2.0
   37    44    48    50   2.56700 -1.0 2.0
   42    37    44    45   1.00000 -1.0 2.0
   42    37    44    48   0.49500  1.0 1.0
   42    37    44    48   1.31600 -1.0 2.0
   42    37    44    48  -0.02300  1.0 3.0
   42    46    51    52   0.30150 -1.0 2.0
   42    46    51    53   0.65300  1.0 1.0
   42    46    51    53  -0.03850 -1.0 2.0
   42    46    51    53   0.33900  1.0 3.0
   42    46    64    56   0.34400  1.0 1.0
   42    46    64    56   0.09450 -1.0 2.0
   42    46    64    56   0.11100  1.0 3.0
   42    46    64    65   0.15000  1.0 3.0
   42    46    64    38  -0.98800  1.0 1.0
   42    46    64    38   0.48800 -1.0 2.0
   42    46    64    38   0.76800  1.0 3.0
   43    42    46    47   0.09700  1.0 1.0
   43    42    46    47   0.15600 -1.0 2.0
   43    42    46    47  -0.50800  1.0 3.0
   43    42    46    51   0.09700  1.0 1.0
   43    42    46    51   0.15600 -1.0 2.0
   43    42    46    51  -0.50800  1.0 3.0
   43    42    46    64   0.09700  1.0 1.0
   43    42    46    64   0.15600 -1.0 2.0
   43    42    46    64  -0.50800  1.0 3.0
   46    51    53    54   2.26350  1.0 1.0
   46    51    53    54   0.76750 -1.0 2.0
   46    51    53    54   0.22500  1.0 3.0
   46    51    53    68   2.26350  1.0 1.0
   46    51    53    68   0.76750 -1.0 2.0
   46    51    53    68   0.22500  1.0 3.0
   46    64   -38    33   0.60050  1.0 1.0
   46    64   -38    33   0.05600 -1.0 2.0
   46    64   -38    33   0.26150  1.0 3.0
   46    64    38    39   0.30150 -1.0 2.0
   47    46    51    52   0.30150 -1.0 2.0
   47    46    51    53   0.65300  1.0 1.0
   47    46    51    53  -0.03850 -1.0 2.0
   47    46    51    53   0.33900  1.0 3.0
   47    46    64    56   0.62750  1.0 1.0
   47    46    64    56  -0.30950 -1.0 2.0
   47    46    64    56   0.27300  1.0 3.0
   47    46    64    65   0.23400  1.0 3.0
   47    46    64    38  -0.09450  1.0 1.0
   47    46    64    38  -1.12950 -1.0 2.0
   47    46    64    38   0.54000  1.0 3.0
   51    46    64    56  -0.95700  1.0 1.0
   51    46    64    56  -0.18200 -1.0 2.0
   51    46    64    56   0.29450  1.0 3.0
   51    46    64    65  -0.11250  1.0 3.0
   51    46    64    38   0.11950  1.0 1.0
   51    46    64    38   0.20300 -1.0 2.0
   51    46    64    38  -0.70800  1.0 3.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53   -54    56   3.62500 -1.0 2.0
   51    53    68    66   3.62500 -1.0 2.0
   51    53    68    73   3.62500 -1.0 2.0
   52    51    53    54   1.05000 -1.0 2.0
   52    51    53    68   1.05000 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    55    60   3.62500 -1.0 2.0
   53    54    56    57   0.00000  1.0 1.0
   53    54    56    58   0.00000  1.0 1.0
   53    54    56    64   0.04150 -1.0 2.0
   53    68    73    74   0.84100 -1.0 2.0
   54    53    68    66   3.62500 -1.0 2.0
   54    53    68    73   3.62500 -1.0 2.0
   54    55   -59    66   3.62500 -1.0 2.0
   54    55    59    77   3.62500 -1.0 2.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   54    56   -64    46  -0.03700  1.0 1.0
   54    56   -64    46   0.37200 -1.0 2.0
   54    56   -64    46  -0.47300  1.0 3.0
   54    56    64    65   0.43200  1.0 3.0
   54    56    64    38   0.56750  1.0 1.0
   54    56    64    38  -0.07550 -1.0 2.0
   54    56    64    38   0.20000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    64   0.04150 -1.0 2.0
   55    59    66    67   3.62500 -1.0 2.0
   55    59    66    68   3.62500 -1.0 2.0
   55    59    77    75   3.62500 -1.0 2.0
   55    59    77    78   3.62500 -1.0 2.0
   59    55    60    61   0.00000  1.0 1.0
   59    55    60    62   0.00000  1.0 1.0
   59    55    60    63   0.00000  1.0 1.0
   59    66    67    69   3.62500 -1.0 2.0
   59    66    67    71   3.62500 -1.0 2.0
   59    66   -68    53   3.62500 -1.0 2.0
   59    66    68    73   3.62500 -1.0 2.0
   66    59    77    75   3.62500 -1.0 2.0
   66    59    77    78   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67   -69    75   3.62500 -1.0 2.0
   66    67    71    72   0.84100 -1.0 2.0
   66    68    73    74   0.84100 -1.0 2.0
   67    66    68    53   3.62500 -1.0 2.0
   67    66    68    73   3.62500 -1.0 2.0
   67    69    75    76   3.62500 -1.0 2.0
   67    69    75    77   3.62500 -1.0 2.0
   69    67    71    72   0.84100 -1.0 2.0
   69    75   -77    59   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   76    75    77    59   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    59   -66    67   3.62500 -1.0 2.0
   77    59    66    68   3.62500 -1.0 2.0
   71    67    69    70   3.62500 -1.0 2.0
   71    67    69    75   3.62500 -1.0 2.0
   68    53   -54    55   3.62500 -1.0 2.0
   68    53    54    56   3.62500 -1.0 2.0
   68    66    67    69   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   60    55    59    66   3.62500 -1.0 2.0
   60    55    59    77   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    54    55    60   3.62500 -1.0 2.0
   56    64    38    33   0.60050  1.0 1.0
   56    64    38    33   0.05600 -1.0 2.0
   56    64    38    33   0.26150  1.0 3.0
   56    64    38    39   0.30150 -1.0 2.0
   57    56    64    46   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    38  -0.11250  1.0 3.0
   58    56    64    46   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    38  -0.11250  1.0 3.0
   64    46    51    52   0.30150 -1.0 2.0
   64    46   -51    53   0.05850 -1.0 2.0
   64    46   -51    53   0.17250  1.0 3.0
   65    64    38    33   0.00000  1.0 1.0
   65    64    38    39   0.00000  1.0 1.0
   38    33   -37    42  -0.51250  1.0 1.0
   38    33   -37    42  -0.88800 -1.0 2.0
   38    33   -37    42   0.08850  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    40    41   0.91850  1.0 1.0
   38    33    40    41   0.57950  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    50   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    64   0.55300  1.0 1.0
   40    33    38    64   1.25850 -1.0 2.0
   40    33    38    64  -0.23600  1.0 3.0
   40    33    38    39   0.30150 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   46    53    51    52  10.50000 -1.0 2.0
   54    68    53    51   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   59    60    55    54   4.00000 -1.0 2.0
   66    77    59    55   4.00000 -1.0 2.0
   67    68    66    59   4.00000 -1.0 2.0
   69    71    67    66   4.00000 -1.0 2.0
   75    70    69    67   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    59   4.00000 -1.0 2.0
   66    73    68    53   4.00000 -1.0 2.0
   33    64    38    39  10.50000 -1.0 2.0
   37    48    44    45  10.50000 -1.0 2.0
   50    44    48    49   1.00000 -1.0 2.0
END
