* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    28.79772    96.89360   -22.82777
    2     1 S   H    _HN1     2     1.02776   103.66656  -110.16306
    3     1 S   H    _H1_     3     1.02960    74.58910    -4.56892
    4     1 S   H    _H2_     4     1.02838    36.28498   148.13791
    5     1 S   CT   _CA1     5     1.50126   138.96516    98.95721
    6     5 S   HC   _HA1     6     1.09576   105.21810    87.76113
    7     5 S   CO3  _C1_     7     1.53786   112.39279   -32.41459
    8     7 S   O2Z  _O11     8     1.26361   114.99352   -43.42572
    9     7 S   O2Z  _O12     9     1.26241   114.93154   135.71470
   10     5 S   CT   _CB1    10     1.53110   107.43560  -154.33780
   11    10 S   HC   HB11    11     1.09826   109.31213   -50.79306
   12    10 S   HC   HB12    12     1.09816   110.42604    65.75490
   13    10 S   CT   _CG1    13     1.53016   112.67668  -171.89431
   14    13 S   HC   HG11    14     1.09598   110.46073   -64.40319
   15    13 S   HC   HG12    15     1.09655   109.94240    54.78805
   16    13 S   C    _CD1    16     1.51827   112.36678   175.13264
   17    16 S   O    _OE1    17     1.22751   123.33780    -1.11803
   18    16 S   N    _N2_    18     1.38587   111.68550   179.02924
   19    18 S   H    _HN2    19     1.01561   119.02858     4.03949
   20    18 S   CT1  _CA2    20     1.45999   122.89892   178.33012
   21    20 S   HC   _HA2    21     1.09628   110.02537    21.38132
   22    20 S   C    _C2_    22     1.52865   104.08356   -96.39219
   23    22 S   O    _O2_    23     1.23013   122.25759   -81.02578
   24    20 S   CT   _CB2    32     1.53288   111.75511   144.67511
   25    24 S   HC   HB21    33     1.09389   109.74257    55.54310
   26    24 S   HC   HB22    34     1.09372   109.21447   173.95561
   27    22 S   N    _N3_    24     1.38533   113.02660    93.77041
   28    27 S   H    _HN3    25     1.01540   119.64607     5.52879
   29    24 S   S    _SG2    35     1.83307   111.24834   -64.85459
   30    27 S   CT   _CA3    26     1.45508   122.91831  -176.49145
   31    30 S   HC   HA31    27     1.09546   108.96683    29.17139
   32    30 S   HC   HA32    28     1.09502   107.11478   145.91410
   33    29 S   CT   _C20    36     1.85862   101.48545  -171.50761
   34    33 S   OM   _O39    37     1.32096   108.62303   174.21728
   35    30 S   CO3  _C3_    29     1.52794   113.64304   -94.26602
   36    35 S   O2Z  _O31    30     1.26364   115.54117   -44.24481
   37    35 S   O2Z  _O32    31     1.26486   114.96333   136.64284
   38    33 S   CO4  _C19    38     1.55212   108.68086    64.83452
   39    38 S   O    _O36    39     1.23662   122.11941    25.20663
   40    33 S   CT   _C21    71     1.55466   111.85963   -63.37720
   41    40 S   HC   _H4_    72     1.09754   109.26303    44.91707
   42    38 S   CT   _C17    40     1.53817   117.96694  -159.54100
   43    42 S   HC   _H3_    41     1.09896   106.36974   -74.27842
   44    40 S   C    _C23    73     1.54043   114.03689   -72.72292
   45    44 S   O    _O38    74     1.22882   124.04719   -94.85052
   46    42 S   CT   _C18    42     1.53295   112.31350   168.83070
   47    46 S   HC   _H12    43     1.09700   110.35465   170.52375
   48    46 S   HC   _H13    44     1.09665   107.56440    53.60816
   49    44 S   N    _N4_    75     1.37692   113.73373    85.40826
   50    49 S   H    _H14    76     1.01370   122.43411    -3.46102
   51    49 S   H    _H15    77     1.01368   120.28600  -179.78971
   52    46 S   CA   _C6_    45     1.51792   112.63663   -67.98541
   53    52 S   CA   _C7_    46     1.39801   119.95657   -26.38854
   54    53 S   CA   _C8_    47     1.40350   119.17121   174.44085
   55    53 S   CO4  _C15    66     1.50044   119.72507    -5.62274
   56    55 S   O    _O35    67     1.22984   120.24615  -170.95189
   57    54 S   CA   _C9_    48     1.42677   122.64410    -1.69581
   58    54 S   OH   _O34    64     1.37761   119.94178   179.81762
   59    58 S   HO   _H11    65     0.97160   110.45354    -1.61544
   60    42 S   CT   _C16    68     1.51398   111.43991    45.54599
   61    57 S   CA   _C10    49     1.43064   119.12877     3.22173
   62    60 S   CO4  _C22    69     1.52423   109.12757   -56.06711
   63    62 S   O    _O37    70     1.23174   120.95987  -124.99476
   64    60 S   OH   _O40    78     1.42634   109.01243  -173.62874
   65    64 S   HO   _H16    79     0.97400   107.67824   172.01574
   66    52 S   CA   _C5_    50     1.42431   120.49124   153.52295
   67    61 S   CA   _C11    55     1.44518   116.14378  -176.89430
   68    67 S   Cl   Cl1_    56     1.73995   124.44075   171.99967
   69    66 S   CT   _C4_    51     1.51631   117.20678    12.20736
   70    69 S   HC   _H5_    52     1.09345   110.72547   -98.90087
   71    69 S   HC   _H6_    53     1.09426   112.56501    22.11710
   72    69 S   HC   _H7_    54     1.09370   110.67284   136.82036
   73    67 S   CA   _C12    57     1.40006   122.88152    -3.43553
   74    73 S   HA   _H8_    58     1.08760   121.18388  -179.92598
   75    73 S   CA   _C13    59     1.37558   120.04977     1.82005
   76    75 S   HA   _H9_    60     1.08614   119.71397   179.01842
   77    57 S   CA   _C14    61     1.42729   122.22492  -176.00693
   78    77 S   OH   _O33    62     1.37599   120.71165     0.36208
   79    78 S   HO   _H10    63     0.97577   108.55096   154.01065
  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  14   5  12   6  14   8   7   4  12   5   4
   3   1   1  14  13  12   9   3  13   3   1   4  12   3   1   1
   1   8   7   3   3   2   1   1   5   3   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    62    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    60    62    63    40    41    44    45    49  
   38    39    42    62    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    55    60    62    40    41    44    64  
   42    43    46    60    40  
   41    44    45    49    50    51    64    42    55    60    62    63  
   44    45    49    60    62    63  
   43    46    47    48    52    53    66    55    56    60    62    63    64    65  
   46    47    48    52    55    60    62    64  
   45    49    50    51    60    62    63  
   49    50    51    62  
   47    48    52    53    54    61    66    69    55    60    62    64  
   48    52    53    66    60  
   52    53    66    60  
   50    51    62  
   51  
    0  
   53    54    57    61    66    69    70    71    72    67    58    55    56    60  
   54    57    61    66    69    77    58    59    55    56    60    62    64  
   57    61    66    67    75    77    78    58    59    55    56    60  
   56    60    62    63    64    65    57    58    66  
   60    62    64  
   61    66    69    67    68    73    75    76    77    78    79    58    59  
   59    61    77  
    0  
   62    63    64    65  
   66    69    70    71    72    67    68    73    74    75    77    78  
   63    64    65  
   64  
   65  
    0  
   69    70    71    72    67    68    73    77  
   68    73    74    75    76    77    69  
   73    74    75  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   78    79  
   79  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    66   469.000  1.400
   53    54   469.000  1.400
   53    55   310.000  1.470
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    61   469.000  1.400
   57    77   469.000  1.400
   61    66   469.000  1.400
   61    67   469.000  1.400
   66    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   67    68   300.000  1.725
   67    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   58    59   553.000  0.945
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    62   317.000  1.522
   60    64   320.000  1.410
   62    63   570.000  1.229
   62    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
   64    65   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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    60    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    60    55    63.00000  111.10000
   42    60    62    63.00000  111.10000
   42    60    64    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    66    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    60.00000  119.52600
   52    66    61    63.00000  120.00000
   52    66    69    70.00000  120.00000
   53    54    57    63.00000  120.00000
   53    54    58    70.00000  120.00000
   53    55    56    75.00000  123.78400
   53    55    60    65.00000  115.47100
   54    57    61    63.00000  120.00000
   54    57    77    63.00000  120.00000
   54    58    59    35.00000  113.00000
   57    61    66    63.00000  120.00000
   57    61    67    63.00000  120.00000
   57    77    75    63.00000  120.00000
   57    77    78    70.00000  120.00000
   61    66    69    70.00000  120.00000
   61    67    68    75.00000  120.00000
   61    67    73    63.00000  120.00000
   66    52    53    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   67    61    66    63.00000  120.00000
   67    73    74    35.00000  120.00000
   67    73    75    63.00000  120.00000
   73    67    68    75.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    70.00000  120.00000
   77    57    61    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  113.00000
   58    54    57    70.00000  120.00000
   55    53    54    60.00000  119.52600
   55    60    62    75.00000  107.99600
   55    60    64    90.00000  109.61100
   60    42    43    37.50000  110.70000
   60    42    46    58.35000  112.70000
   60    55    56    80.00000  120.40000
   60    62    63    80.00000  120.40000
   60    62    40    70.00000  116.00000
   60    64    65    55.00000  108.50000
   62    40    41    35.00000  109.50000
   62    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    62    63    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    35.00000  120.00000
   64    60    62    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    62   0.56750  1.0 1.0
   29    33    40    62  -0.07550 -1.0 2.0
   29    33    40    62   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    60   0.60050  1.0 1.0
   33    38    42    60   0.05600 -1.0 2.0
   33    38    42    60   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    62  -0.09450  1.0 1.0
   34    33    40    62  -1.12950 -1.0 2.0
   34    33    40    62   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    62   0.11950  1.0 1.0
   38    33    40    62   0.20300 -1.0 2.0
   38    33    40    62  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    60    55   0.11950  1.0 1.0
   38    42    60    55   0.20300 -1.0 2.0
   38    42    60    55  -0.70800  1.0 3.0
   38    42   -60    62   0.11950  1.0 1.0
   38    42   -60    62   0.20300 -1.0 2.0
   38    42   -60    62  -0.70800  1.0 3.0
   38    42    60    64  -0.09450  1.0 1.0
   38    42    60    64  -1.12950 -1.0 2.0
   38    42    60    64   0.54000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    60   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    66   0.04150 -1.0 2.0
   42    60    62    63   0.30150 -1.0 2.0
   42    60    62    40   0.60050  1.0 1.0
   42    60    62    40   0.05600 -1.0 2.0
   42    60    62    40   0.26150  1.0 3.0
   42    60    64    65  -0.11600  1.0 1.0
   42    60    64    65  -0.09450 -1.0 2.0
   42    60    64    65   0.21250  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    60    55  -0.11250  1.0 3.0
   43    42    60    62  -0.11250  1.0 3.0
   43    42    60    64   0.23400  1.0 3.0
   46    42    60    55  -0.95700  1.0 1.0
   46    42    60    55  -0.18200 -1.0 2.0
   46    42    60    55   0.29450  1.0 3.0
   46    42    60    62  -0.95700  1.0 1.0
   46    42    60    62  -0.18200 -1.0 2.0
   46    42    60    62   0.29450  1.0 3.0
   46    42    60    64   0.86500  1.0 1.0
   46    42    60    64  -0.17500 -1.0 2.0
   46    42    60    64   0.20800  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    55   3.62500 -1.0 2.0
   46    52    66    61   3.62500 -1.0 2.0
   46    52    66    69   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    66   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    66   0.00000  1.0 1.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    55    56   1.05000 -1.0 2.0
   52    53    55    60   2.26350  1.0 1.0
   52    53    55    60   0.76750 -1.0 2.0
   52    53    55    60   0.22500  1.0 3.0
   52    66    69    70   0.00000  1.0 1.0
   52    66    69    71   0.00000  1.0 1.0
   52    66    69    72   0.00000  1.0 1.0
   53    52    66    61   3.62500 -1.0 2.0
   53    52    66    69   3.62500 -1.0 2.0
   53    54   -57    61   3.62500 -1.0 2.0
   53    54    57    77   3.62500 -1.0 2.0
   53    54    58    59   0.84100 -1.0 2.0
   53    55   -60    42   0.05850 -1.0 2.0
   53    55   -60    42   0.17250  1.0 3.0
   53    55    60    62   0.65300  1.0 1.0
   53    55    60    62  -0.03850 -1.0 2.0
   53    55    60    62   0.33900  1.0 3.0
   53    55    60    64   0.65300  1.0 1.0
   53    55    60    64  -0.03850 -1.0 2.0
   53    55    60    64   0.33900  1.0 3.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    60   2.26350  1.0 1.0
   54    53    55    60   0.76750 -1.0 2.0
   54    53    55    60   0.22500  1.0 3.0
   54    57    61    66   3.62500 -1.0 2.0
   54    57    61    67   3.62500 -1.0 2.0
   54    57    77    75   3.62500 -1.0 2.0
   54    57    77    78   3.62500 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    61   -66    52   3.62500 -1.0 2.0
   57    61    66    69   3.62500 -1.0 2.0
   57    61    67    68   3.62500 -1.0 2.0
   57    61    67    73   3.62500 -1.0 2.0
   57    77    78    79   0.84100 -1.0 2.0
   61    57    77    75   3.62500 -1.0 2.0
   61    57    77    78   3.62500 -1.0 2.0
   61    66    69    70   0.00000  1.0 1.0
   61    66    69    71   0.00000  1.0 1.0
   61    66    69    72   0.00000  1.0 1.0
   61    67    73    74   3.62500 -1.0 2.0
   61    67   -73    75   3.62500 -1.0 2.0
   66    52   -53    54   3.62500 -1.0 2.0
   66    52    53    55   3.62500 -1.0 2.0
   66    61    67    68   3.62500 -1.0 2.0
   66    61    67    73   3.62500 -1.0 2.0
   67    61    66    52   3.62500 -1.0 2.0
   67    61    66    69   3.62500 -1.0 2.0
   67    73    75    76   3.62500 -1.0 2.0
   67    73    75    77   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   68    67    73    75   3.62500 -1.0 2.0
   73    75   -77    57   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   0.84100 -1.0 2.0
   76    75    77    57   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    57    61    66   3.62500 -1.0 2.0
   77    57   -61    67   3.62500 -1.0 2.0
   58    54    57    61   3.62500 -1.0 2.0
   58    54    57    77   3.62500 -1.0 2.0
   55    53    54    57   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    60    62    63   0.30150 -1.0 2.0
   55    60    62    40   0.65300  1.0 1.0
   55    60    62    40  -0.03850 -1.0 2.0
   55    60    62    40   0.33900  1.0 3.0
   55    60    64    65   0.91850  1.0 1.0
   55    60    64    65   0.57950  1.0 3.0
   56    55    60    42   0.30150 -1.0 2.0
   56    55    60    62   0.30150 -1.0 2.0
   56    55    60    64   0.30150 -1.0 2.0
   60    42    46    47   0.15000  1.0 3.0
   60    42    46    48   0.15000  1.0 3.0
   60    42   -46    52  -0.03700  1.0 1.0
   60    42   -46    52   0.37200 -1.0 2.0
   60    42   -46    52  -0.47300  1.0 3.0
   60    62   -40    33   0.60050  1.0 1.0
   60    62   -40    33   0.05600 -1.0 2.0
   60    62   -40    33   0.26150  1.0 3.0
   60    62    40    41   0.00000  1.0 1.0
   60    62    40    44   0.65300  1.0 1.0
   60    62    40    44  -0.03850 -1.0 2.0
   60    62    40    44   0.33900  1.0 3.0
   62    60    64    65   0.91850  1.0 1.0
   62    60    64    65   0.57950  1.0 3.0
   62    40    44    45   0.30150 -1.0 2.0
   62    40    44    49   0.00000  1.0 1.0
   63    62    40    33   0.30150 -1.0 2.0
   63    62    40    41   0.00000  1.0 1.0
   63    62    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   2.45000 -1.0 2.0
   64    60    62    63   0.30150 -1.0 2.0
   64    60    62    40   0.55300  1.0 1.0
   64    60    62    40   1.25850 -1.0 2.0
   64    60    62    40  -0.23600  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   53    66    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   57    58    54    53   4.00000 -1.0 2.0
   61    77    57    54   4.00000 -1.0 2.0
   66    67    61    57   4.00000 -1.0 2.0
   61    69    66    52   4.00000 -1.0 2.0
   73    68    67    61   4.00000 -1.0 2.0
   75    74    73    67   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    57   4.00000 -1.0 2.0
   53    60    55    56  10.50000 -1.0 2.0
   60    40    62    63  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
