* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    235     424
    1     0 S   NP   _N1_     1    28.35560    97.36189   -22.53395
    2     1 S   H    _HN1     2     1.02777   104.68914  -120.60559
    3     1 S   H    _H1_     3     1.02954    72.98437   -15.56229
    4     1 S   H    _H2_     4     1.02834    37.53976   139.03593
    5     1 S   CT   _CA1     5     1.50153   138.80226    86.20792
    6     5 S   HC   _HA1     6     1.09578   105.19667    90.62620
    7     5 S   CO3  _C1_     7     1.53782   112.15482   -29.49568
    8     7 S   O2Z  _O11     8     1.26367   115.00570   -47.87076
    9     7 S   O2Z  _O12     9     1.26221   114.91674   130.92499
   10     5 S   CT   _CB1    10     1.53074   107.37288  -151.57842
   11    10 S   HC   HB11    11     1.09834   109.31865   -50.40072
   12    10 S   HC   HB12    12     1.09812   110.47201    66.13508
   13    10 S   CT   _CG1    13     1.53033   112.68068  -171.41931
   14    13 S   HC   HG11    14     1.09596   110.54659   -64.67398
   15    13 S   HC   HG12    15     1.09657   109.89549    54.54523
   16    13 S   C    _CD1    16     1.51862   112.14395   174.90030
   17    16 S   O    _OE1    17     1.22783   123.24566     2.93918
   18    16 S   N    _N2_    18     1.38482   111.83384  -177.06602
   19    18 S   H    _HN2    19     1.01636   119.26688     2.59435
   20    18 S   CT1  _CA2    20     1.45921   122.85990   178.71641
   21    20 S   HC   _HA2    21     1.09744   108.66956    28.66544
   22    20 S   C    _C2_    22     1.52963   107.15931   -88.31946
   23    22 S   O    _O2_    23     1.22987   123.06093   -28.26886
   24    20 S   CT   _CB2    32     1.53151   111.95390   151.62582
   25    24 S   HC   HB21    33     1.09402   109.48563    53.84275
   26    24 S   HC   HB22    34     1.09419   110.14587   172.84985
   27    22 S   N    _N3_    24     1.38568   112.63395   153.73902
   28    27 S   H    _HN3    25     1.01642   120.36921    -0.77556
   29    24 S   S    _SG2    35     1.82840   110.47296   -67.02614
   30    27 S   CT   _CA3    26     1.45371   122.33350  -179.38071
   31    30 S   HC   HA31    27     1.09508   107.78017   -56.01543
   32    30 S   HC   HA32    28     1.09568   107.57975    60.06214
   33    29 S   CT   _C18    36     1.83964   101.24764   171.84520
   34    33 S   OM   _O38    37     1.31991   109.65012   175.62879
   35    30 S   CO3  _C3_    29     1.52899   114.49304  -178.56441
   36    35 S   O2Z  _O31    30     1.26318   116.12141    -7.58791
   37    35 S   O2Z  _O32    31     1.26556   114.45253   172.44547
   38    33 S   CM   _C19    38     1.51743   112.21451   -62.47226
   39    33 S   CO4  _C17    70     1.53897   109.17869    63.11849
   40    39 S   O    _O33    71     1.23515   122.73789    34.56596
   41    38 S   CMA  _C21    39     1.36238   126.57784   120.53943
   42    41 S   OM   _O35    40     1.26858   130.11759   179.79347
   43    38 S   C    _C20    74     1.50603   117.58322   -58.09302
   44    43 S   O    _O34    75     1.22686   122.36724    79.22753
   45    41 S   CT   _C22    41     1.55299   118.13185     0.41117
   46    43 S   N    _N4_    76     1.37456   113.21903  -100.99086
   47    46 S   H    _H12    77     1.01405   121.63843    -0.03956
   48    46 S   H    _H13    78     1.01245   120.64295  -179.75451
   49    45 S   CO4  _C23    42     1.53991   111.23882   -96.06223
   50    49 S   O    _O36    43     1.23061   121.77801   -28.15528
   51    45 S   OH   _O37    72     1.43987   111.13593   148.26192
   52    51 S   HO   _H14    73     0.97490   105.95353    35.45767
   53    49 S   CA   _C13    44     1.50270   119.39665   154.56131
   54    53 S   CA   _C14    45     1.40353   120.05829     0.06256
   55    53 S   CA   _C12    56     1.41068   120.59552  -179.94766
   56    54 S   CA   _C5_    46     1.42151   119.47713   176.20089
   57    55 S   OH   _O39    57     1.37691   120.73647     0.50241
   58    57 S   HO   _H15    58     0.97226   110.02220     1.04661
   59    54 S   CT   _C15    65     1.51394   120.52546    -3.12474
   60    59 S   HC   _H10    66     1.09727   108.11097    99.12790
   61    59 S   HC   _H11    67     1.09659   110.05935  -143.99912
   62    56 S   CA   _C6_    47     1.42958   120.70950     6.82714
   63    56 S   CT   _C4_    61     1.51757   119.68116  -175.19955
   64    63 S   HC   _H4_    62     1.09416   110.05976   -96.64810
   65    63 S   HC   _H5_    63     1.09352   112.54066    25.07045
   66    63 S   HC   _H6_    64     1.09465   111.25389   141.51514
   67    45 S   CT   _C16    68     1.52458   112.46646    28.70761
   68    67 S   HC   _H3_    69     1.09974   109.78695    63.61570
   69    62 S   CA   _C7_    48     1.41898   122.17149   173.78981
   70    69 S   HA   _H7_    49     1.08767   121.03219    -1.12396
   71    69 S   CA   _C8_    50     1.39368   122.71543  -179.92867
   72    71 S   HA   _H8_    51     1.08585   120.13668   179.69481
   73    71 S   CA   _C9_    52     1.38052   119.54833    -0.17246
   74    73 S   HA   _H9_    53     1.08603   119.70948  -179.75292
   75    73 S   CA   _C10    54     1.39498   119.25787     0.28116
   76    62 S   CA   _C11    55     1.41878   119.77367    -5.52109
   77    75 S   OH   _O40    59     1.37394   117.01549  -179.62991
   78    77 S   HO   _H16    60     0.97418   108.73879   -23.09497
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  13  12   4  13   5   5   3  12   2   1   1
  12   5   5   1  13  15  10  14   4   1   6   3   2  12   5   2
   1   1   1   1   7   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    59    67    68    39    40    43    44    46  
   38    41    67    39    40    43  
   36    37  
   37  
    0  
   41    42    45    49    67    39    40    51    43    44    46    47    48  
   40    51    43    41    45    49    54    59    60    61    67    68  
   45    59    67    68  
   42    45    49    50    53    59    67    68    51    52    43    44    46  
   45    49    67    51    43  
   44    46    47    48    45  
   46    47    48  
   49    50    53    54    55    59    60    61    67    68    51    52  
   47    48  
   48  
    0  
   50    53    54    56    76    55    57    59    67    68    51    52  
   53    54    55    67    51  
   52    53    59    67    68  
   67  
   54    56    62    75    76    55    57    58    63    59    60    61    67  
   56    62    69    76    55    57    63    64    65    66    59    60    61    67    68  
   57    58    77    59    56    62    69    73    75    76  
   62    69    70    71    75    76    63    64    65    66    59    60    61    67  
   58    62    75    76  
   76  
   60    61    67    68    62    63  
   61    67    68  
   67    68  
   69    70    71    72    73    75    76    77    63    64    65    66  
   64    65    66    69    76  
   65    66  
   66  
    0  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73    76  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   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  -0.175000   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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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
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  1.510
   33    39   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    49   317.000  1.522
   45    67   268.000  1.529
   45    51   320.000  1.410
   49    50   570.000  1.229
   49    53   310.000  1.470
   53    54   469.000  1.400
   53    55   469.000  1.400
   54    56   469.000  1.400
   54    59   317.000  1.510
   56    62   469.000  1.400
   56    63   317.000  1.510
   62    69   469.000  1.400
   62    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    55   469.000  1.400
   55    57   450.000  1.364
   57    58   553.000  0.945
   77    78   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    39   317.000  1.522
   39    40   570.000  1.229
   51    52   553.000  0.945
   43    44   570.000  1.229
   43    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    67    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    46    80.00000  111.56200
   41    45    49    70.00000  109.06800
   41    45    67    70.00000  112.02700
   41    45    51    90.00000  110.39200
   45    41    42    85.00000  112.85300
   45    49    50    80.00000  120.40000
   45    49    53    65.00000  115.47100
   45    67    59    58.35000  112.70000
   45    67    68    37.50000  110.70000
   45    67    39    63.00000  111.10000
   45    51    52    55.00000  108.50000
   49    53    54    60.00000  119.52600
   49    53    55    60.00000  119.52600
   53    49    50    75.00000  123.78400
   53    54    56    63.00000  120.00000
   53    54    59    70.00000  120.00000
   53    55    76    63.00000  120.00000
   53    55    57    70.00000  120.00000
   54    56    62    63.00000  120.00000
   54    56    63    70.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    67    70.00000  112.17500
   56    62    69    63.00000  120.00000
   56    62    76    63.00000  120.00000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    35.00000  109.50000
   62    69    70    35.00000  120.00000
   62    69    71    63.00000  120.00000
   62    76    75    63.00000  120.00000
   62    76    55    63.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    55    63.00000  120.00000
   75    77    78    35.00000  113.00000
   76    62    69    63.00000  120.00000
   76    55    57    70.00000  120.00000
   55    53    54    63.00000  120.00000
   55    57    58    35.00000  113.00000
   77    75    76    70.00000  120.00000
   63    56    62    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    54    56    70.00000  120.00000
   59    67    68    37.50000  110.70000
   59    67    39    63.00000  111.10000
   61    59    60    33.00000  107.80000
   67    45    49    63.00000  111.10000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    67    68    35.00000  109.50000
   51    45    49    90.00000  109.61100
   51    45    67    50.00000  109.50000
   43    38    41    60.00000  120.04000
   43    46    47    35.00000  119.80000
   43    46    48    35.00000  119.80000
   46    43    44    80.00000  122.90000
   48    46    47    35.00000  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   0.13850  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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    67   0.65300  1.0 1.0
   29    33    39    67  -0.03850 -1.0 2.0
   29    33    39    67   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    46   1.59650  1.0 1.0
   33    38    43    46   0.42750 -1.0 2.0
   33    38    43    46  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    67   0.55300  1.0 1.0
   34    33    39    67   1.25850 -1.0 2.0
   34    33    39    67  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    67   0.65300  1.0 1.0
   38    33    39    67  -0.03850 -1.0 2.0
   38    33    39    67   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    49  -0.51250  1.0 1.0
   38    41    45    49  -0.88800 -1.0 2.0
   38    41    45    49   0.08850  1.0 3.0
   38    41   -45    67   0.09850  1.0 1.0
   38    41   -45    67   0.15250 -1.0 2.0
   38    41   -45    67  -0.50650  1.0 3.0
   38    41    45    51   0.67800  1.0 1.0
   38    41    45    51   0.47050 -1.0 2.0
   38    41    45    51  -0.62500  1.0 3.0
   38    43    46    47   2.56700 -1.0 2.0
   38    43    46    48   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    46   0.49500  1.0 1.0
   41    38    43    46   1.31600 -1.0 2.0
   41    38    43    46  -0.02300  1.0 3.0
   41    45    49    50   0.30150 -1.0 2.0
   41    45    49    53   0.65300  1.0 1.0
   41    45    49    53  -0.03850 -1.0 2.0
   41    45    49    53   0.33900  1.0 3.0
   41    45    67    59   0.34400  1.0 1.0
   41    45    67    59   0.09450 -1.0 2.0
   41    45    67    59   0.11100  1.0 3.0
   41    45    67    68   0.15000  1.0 3.0
   41    45    67    39  -0.98800  1.0 1.0
   41    45    67    39   0.48800 -1.0 2.0
   41    45    67    39   0.76800  1.0 3.0
   41    45    51    52  -0.07800  1.0 1.0
   41    45    51    52  -0.21500 -1.0 2.0
   41    45    51    52  -0.03150  1.0 3.0
   42    41    45    49   0.09700  1.0 1.0
   42    41    45    49   0.15600 -1.0 2.0
   42    41    45    49  -0.50800  1.0 3.0
   42    41    45    67   0.09700  1.0 1.0
   42    41    45    67   0.15600 -1.0 2.0
   42    41    45    67  -0.50800  1.0 3.0
   42    41    45    51   0.09700  1.0 1.0
   42    41    45    51   0.15600 -1.0 2.0
   42    41    45    51  -0.50800  1.0 3.0
   45    49    53    54   2.26350  1.0 1.0
   45    49    53    54   0.76750 -1.0 2.0
   45    49    53    54   0.22500  1.0 3.0
   45    49    53    55   2.26350  1.0 1.0
   45    49    53    55   0.76750 -1.0 2.0
   45    49    53    55   0.22500  1.0 3.0
   45    67   -39    33   0.60050  1.0 1.0
   45    67   -39    33   0.05600 -1.0 2.0
   45    67   -39    33   0.26150  1.0 3.0
   45    67    39    40   0.30150 -1.0 2.0
   49    45    67    59  -0.95700  1.0 1.0
   49    45    67    59  -0.18200 -1.0 2.0
   49    45    67    59   0.29450  1.0 3.0
   49    45    67    68  -0.11250  1.0 3.0
   49    45    67    39   0.11950  1.0 1.0
   49    45    67    39   0.20300 -1.0 2.0
   49    45    67    39  -0.70800  1.0 3.0
   49    45    51    52   0.91850  1.0 1.0
   49    45    51    52   0.57950  1.0 3.0
   49    53    54    56   3.62500 -1.0 2.0
   49    53   -54    59   3.62500 -1.0 2.0
   49    53    55    76   3.62500 -1.0 2.0
   49    53    55    57   3.62500 -1.0 2.0
   50    49    53    54   1.05000 -1.0 2.0
   50    49    53    55   1.05000 -1.0 2.0
   53    54    56    62   3.62500 -1.0 2.0
   53    54    56    63   3.62500 -1.0 2.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    67   0.04150 -1.0 2.0
   53    55    57    58   0.84100 -1.0 2.0
   54    53    55    76   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   54    56    62    69   3.62500 -1.0 2.0
   54    56   -62    76   3.62500 -1.0 2.0
   54    56    63    64   0.00000  1.0 1.0
   54    56    63    65   0.00000  1.0 1.0
   54    56    63    66   0.00000  1.0 1.0
   54    59   -67    45  -0.03700  1.0 1.0
   54    59   -67    45   0.37200 -1.0 2.0
   54    59   -67    45  -0.47300  1.0 3.0
   54    59    67    68   0.43200  1.0 3.0
   54    59    67    39   0.56750  1.0 1.0
   54    59    67    39  -0.07550 -1.0 2.0
   54    59    67    39   0.20000  1.0 3.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    67   0.04150 -1.0 2.0
   56    62    69    70   3.62500 -1.0 2.0
   56    62    69    71   3.62500 -1.0 2.0
   56    62    76    75   3.62500 -1.0 2.0
   56    62    76    55   3.62500 -1.0 2.0
   62    56    63    64   0.00000  1.0 1.0
   62    56    63    65   0.00000  1.0 1.0
   62    56    63    66   0.00000  1.0 1.0
   62    69    71    72   3.62500 -1.0 2.0
   62    69    71    73   3.62500 -1.0 2.0
   62    76   -55    53   3.62500 -1.0 2.0
   62    76    55    57   3.62500 -1.0 2.0
   69    62    76    75   3.62500 -1.0 2.0
   69    62    76    55   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -76    62   3.62500 -1.0 2.0
   73    75    76    55   3.62500 -1.0 2.0
   73    75    77    78   0.84100 -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    76    55    53   3.62500 -1.0 2.0
   75    76    55    57   3.62500 -1.0 2.0
   76    62    69    70   3.62500 -1.0 2.0
   76    62   -69    71   3.62500 -1.0 2.0
   76    75    77    78   0.84100 -1.0 2.0
   76    55    57    58   0.84100 -1.0 2.0
   55    53   -54    56   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   77    75    76    62   3.62500 -1.0 2.0
   77    75    76    55   3.62500 -1.0 2.0
   63    56    62    69   3.62500 -1.0 2.0
   63    56    62    76   3.62500 -1.0 2.0
   59    54    56    62   3.62500 -1.0 2.0
   59    54    56    63   3.62500 -1.0 2.0
   59    67    39    33   0.60050  1.0 1.0
   59    67    39    33   0.05600 -1.0 2.0
   59    67    39    33   0.26150  1.0 3.0
   59    67    39    40   0.30150 -1.0 2.0
   60    59    67    45   0.15000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    39  -0.11250  1.0 3.0
   61    59    67    45   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    39  -0.11250  1.0 3.0
   67    45    49    50   0.30150 -1.0 2.0
   67    45   -49    53   0.05850 -1.0 2.0
   67    45   -49    53   0.17250  1.0 3.0
   67    45    51    52  -0.11600  1.0 1.0
   67    45    51    52  -0.09450 -1.0 2.0
   67    45    51    52   0.21250  1.0 3.0
   68    67    39    33   0.00000  1.0 1.0
   68    67    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   51    45    49    50   0.30150 -1.0 2.0
   51    45    49    53   0.65300  1.0 1.0
   51    45    49    53  -0.03850 -1.0 2.0
   51    45    49    53   0.33900  1.0 3.0
   51    45    67    59   0.86500  1.0 1.0
   51    45    67    59  -0.17500 -1.0 2.0
   51    45    67    59   0.20800  1.0 3.0
   51    45    67    68   0.23400  1.0 3.0
   51    45    67    39  -0.09450  1.0 1.0
   51    45    67    39  -1.12950 -1.0 2.0
   51    45    67    39   0.54000  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    46    47   2.45000 -1.0 2.0
   44    43    46    48   2.45000 -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
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    53    49    50  10.50000 -1.0 2.0
   54    55    53    49   4.00000 -1.0 2.0
   56    59    54    53   4.00000 -1.0 2.0
   62    63    56    54   4.00000 -1.0 2.0
   69    76    62    56   4.00000 -1.0 2.0
   71    70    69    62   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   75    55    76    62   4.00000 -1.0 2.0
   76    57    55    53   4.00000 -1.0 2.0
   33    67    39    40  10.50000 -1.0 2.0
   38    46    43    44  10.50000 -1.0 2.0
   48    43    46    47   1.00000 -1.0 2.0
END
