* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    147    218     429
    1     0 S   NP   _N1_     1    28.39811    98.72587   -22.79033
    2     1 S   H    _HN1     2     1.02836    47.88565   158.26791
    3     1 S   H    _H1_     3     1.02778   107.03273  -102.75218
    4     1 S   H    _H2_     4     1.02957    61.81048    -0.69097
    5     1 S   CT   _CA1     5     1.50130   140.07466    87.91684
    6     5 S   HC   _HA1     6     1.09577   105.21228   107.53963
    7     5 S   CO3  _C1_     7     1.53772   112.33200   -12.63129
    8     7 S   O2Z  _O11     8     1.26362   115.00184   -44.93236
    9     7 S   O2Z  _O12     9     1.26234   114.91973   134.12843
   10     5 S   CT   _CB1    10     1.53091   107.41451  -134.59588
   11    10 S   HC   HB11    11     1.09828   109.28969   -50.81211
   12    10 S   HC   HB12    12     1.09815   110.44860    65.72208
   13    10 S   CT   _CG1    13     1.53028   112.69160  -171.89199
   14    13 S   HC   HG11    14     1.09595   110.49934   -64.86319
   15    13 S   HC   HG12    15     1.09658   109.91403    54.34477
   16    13 S   C    _CD1    16     1.51846   112.27537   174.67693
   17    16 S   O    _OE1    17     1.22760   123.27494     0.85707
   18    16 S   N    _N2_    18     1.38554   111.76186  -179.09648
   19    18 S   H    _HN2    19     1.01568   119.06600     4.01547
   20    18 S   CT1  _CA2    20     1.45824   122.83797   177.57327
   21    20 S   HC   _HA2    21     1.09729   108.91787    24.17055
   22    20 S   C    _C2_    22     1.52910   106.98059   -92.88612
   23    22 S   O    _O2_    23     1.22979   123.04152   -27.73637
   24    20 S   CT   _CB2    32     1.53137   112.27869   147.35500
   25    24 S   HC   HB21    33     1.09600   110.24191    53.98867
   26    24 S   HC   HB22    34     1.09480   109.97550   172.96023
   27    22 S   N    _N3_    24     1.38490   112.56564   154.97708
   28    27 S   H    _HN3    25     1.01658   120.37943    -1.87868
   29    24 S   S    _SG2    35     1.82638   111.09559   -66.81616
   30    27 S   CT   _CA3    26     1.45352   122.47543   178.61182
   31    30 S   HC   HA31    27     1.09566   107.70032   -58.26412
   32    30 S   HC   HA32    28     1.09564   107.71376    58.06833
   33    29 S   CT   _C18    36     1.84273    99.50319   173.59629
   34    33 S   HC   _H8_    37     1.09577   104.66914   -52.55430
   35    30 S   CO3  _C3_    29     1.52889   114.32186   179.91377
   36    35 S   O2Z  _O31    30     1.26334   116.05110    -0.21489
   37    35 S   O2Z  _O32    31     1.26440   114.40625   179.79347
   38    33 S   CA   _C7_    38     1.51985   112.33815    66.70378
   39    33 S   CM   _C19    79     1.50610   108.91749  -168.45194
   40    39 S   HC   _H23    80     1.09053   118.10008   -36.97389
   41    38 S   CA   _C6_    39     1.40711   121.59533    62.02009
   42    41 S   HA   _H12    40     1.08626   118.25572    -0.56614
   43    39 S   CMA  _C20    81     1.51702   122.45318   145.79658
   44    43 S   OM   _O41    82     1.26211   119.36523  -177.80572
   45    43 S   OM   _O42    83     1.26218   122.23637     2.42091
   46    41 S   CA   _C5_    41     1.39710   120.90178   179.74977
   47    46 S   CA   _C10    42     1.40243   118.80428    -0.91386
   48    46 S   OS   _O33    74     1.37063   124.98787   178.51457
   49    47 S   CA   _C9_    43     1.40391   121.43293     1.79111
   50    47 S   OS   _O34    51     1.37737   119.15684   179.04468
   51    48 S   CT   _C4_    75     1.42191   117.09058     8.70780
   52    51 S   HC   _H9_    76     1.09429   107.72167   175.29376
   53    51 S   HC   _H10    77     1.09518   111.30252    57.52011
   54    51 S   HC   _H11    78     1.09481   111.00981   -67.07118
   55    38 S   CA   _C8_    44     1.40601   119.29413  -118.26608
   56    55 S   HA   _H13    45     1.08641   118.11518     0.18871
   57    49 S   OS   _O40    46     1.37112   116.11574   178.38384
   58    50 S   CO   _C11    52     1.44196   110.86866    96.03593
   59    58 S   HC   _H3_    53     1.09991   110.40094    34.34056
   60    57 S   CT   _C17    47     1.42213   117.17816   179.11089
   61    60 S   HC   _H20    48     1.09429   107.70655  -179.68973
   62    60 S   HC   _H21    49     1.09496   111.14693    62.60204
   63    60 S   HC   _H22    50     1.09497   111.15032   -62.00365
   64    58 S   CT   _C12    54     1.53504   107.25675   153.69103
   65    64 S   HC   _H4_    55     1.09679   110.03319    53.18662
   66    64 S   CT   _C13    56     1.53098   110.97854   174.98988
   67    66 S   HC   _H5_    57     1.09669   110.19008    73.27936
   68    64 S   OH   _O39    72     1.42892   110.31762   -63.79587
   69    68 S   HO   _H19    73     0.97248   108.24229   -52.95419
   70    66 S   CT   _C14    58     1.53225   111.36770   -49.45672
   71    70 S   HC   _H6_    59     1.09708   109.00523   -71.66779
   72    66 S   OH   _O38    70     1.42964   109.66848  -170.84588
   73    72 S   HO   _H18    71     0.97240   108.12514    60.09311
   74    70 S   CT   _C15    60     1.53238   110.81747    49.58417
   75    74 S   HC   _H7_    61     1.09828   110.97180    64.78873
   76    70 S   OH   _O37    68     1.42610   109.68971   171.54618
   77    76 S   HO   _H17    69     0.97258   108.17165   -58.14339
   78    58 S   OS   _O35    62     1.43062   110.56934   -87.06448
   79    74 S   CT   _C16    63     1.52993   111.51064  -174.38871
   80    79 S   HC   _H14    64     1.09504   110.99386    69.39636
   81    79 S   HC   _H15    65     1.09397   111.54967   -52.99680
   82    79 S   OH   _O36    66     1.42476   109.06421  -171.96371
   83    82 S   HO   _H16    67     0.97220   107.11468  -178.11156
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   6   3   9   4   2   1   1  11  12   6
   9  10   3   2   1   1   3   1   4  13   6   3   2   1   1  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    55    56    39    40    43    44    45  
   38    41    55    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    49    55    56    57    48    39    40    43  
   40    43    44    45    41    55  
   43    44    45  
   42    46    47    49    55    56    50    48    51  
   46    47    55    48  
   44    45  
   45  
    0  
   47    49    55    57    50    58    48    51    52    53    54  
   49    55    56    57    60    50    58    59    64    78    48    51  
   51    52    53    54    49    50  
   55    56    57    60    61    62    63    50    58  
   58    59    64    65    66    74    78    68    55    57  
   52    53    54  
   53    54  
   54  
    0  
   56    57    60  
   57  
   60    61    62    63  
   59    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    55   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   469.000  1.400
   46    48   450.000  1.364
   47    49   469.000  1.400
   47    50   450.000  1.364
   49    55   469.000  1.400
   49    57   450.000  1.364
   55    56   367.000  1.080
   57    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   50    58   320.000  1.380
   58    59   340.000  1.090
   58    64   250.000  1.527
   58    78   320.000  1.380
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    78   320.000  1.410
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   320.000  1.410
   82    83   553.000  0.945
   76    77   553.000  0.945
   72    73   553.000  0.945
   68    69   553.000  0.945
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    55    49    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    46    47    63.00000  120.00000
   41    46    48    70.00000  120.00000
   46    41    42    35.00000  120.00000
   46    47    49    63.00000  120.00000
   46    47    50    70.00000  120.00000
   46    48    51    75.00000  111.00000
   47    49    55    63.00000  120.00000
   47    49    57    70.00000  120.00000
   47    50    58   100.00000  112.36700
   49    55    56    35.00000  120.00000
   49    57    60    75.00000  111.00000
   55    38    41    63.00000  120.00000
   57    49    55    70.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   50    47    49    70.00000  120.00000
   50    58    59    35.00000  109.50000
   50    58    64    90.00000  108.56700
   50    58    78    92.60000  111.55000
   58    64    65    45.00000  108.72000
   58    64    66    75.00000  109.43000
   58    64    68    90.00000  111.58700
   58    78    74    60.00000  109.50000
   64    58    59    45.00000  112.01100
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    50.00000  109.50000
   64    68    69    55.00000  108.50000
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    50.00000  109.50000
   66    72    73    55.00000  108.50000
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    50.00000  109.50000
   70    74    79    58.35000  112.70000
   70    76    77    55.00000  108.50000
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    50.00000  109.50000
   78    58    59    35.00000  109.50000
   78    58    64    90.00000  108.56700
   78    74    75    35.00000  109.50000
   79    74    75    37.50000  110.70000
   79    74    78    50.00000  109.50000
   79    82    83    55.00000  108.50000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   76    70    71    35.00000  109.50000
   76    70    74    50.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   68    64    65    35.00000  109.50000
   68    64    66    50.00000  109.50000
   48    46    47    70.00000  120.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    55    49   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    55    49   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    46   -47    49   3.62500 -1.0 2.0
   41    46    47    50   3.62500 -1.0 2.0
   41    46    48    51   1.63200 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    47    49    55   3.62500 -1.0 2.0
   46    47    49    57   3.62500 -1.0 2.0
   46    47    50    58   1.63200 -1.0 2.0
   46    48    51    52   0.08050  1.0 3.0
   46    48    51    53   0.08050  1.0 3.0
   46    48    51    54   0.08050  1.0 3.0
   47    46    48    51   1.63200 -1.0 2.0
   47    49   -55    38   3.62500 -1.0 2.0
   47    49    55    56   3.62500 -1.0 2.0
   47    49    57    60   1.63200 -1.0 2.0
   47    50    58    59   0.08050  1.0 3.0
   47    50    58    64  -0.32850  1.0 1.0
   47    50    58    64  -0.35800 -1.0 2.0
   47    50    58    64   0.33950  1.0 3.0
   47    50    58    78  -0.25600  1.0 1.0
   47    50    58    78  -0.40050 -1.0 2.0
   47    50    58    78   0.34700  1.0 3.0
   49    47    50    58   1.63200 -1.0 2.0
   49    57    60    61   0.08050  1.0 3.0
   49    57    60    62   0.08050  1.0 3.0
   49    57    60    63   0.08050  1.0 3.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    46   3.62500 -1.0 2.0
   55    49    57    60   1.63200 -1.0 2.0
   57    49    55    38   3.62500 -1.0 2.0
   57    49    55    56   3.62500 -1.0 2.0
   50    47    49    55   3.62500 -1.0 2.0
   50    47    49    57   3.62500 -1.0 2.0
   50    58    64    65   0.23400  1.0 3.0
   50    58    64    66   0.62750  1.0 1.0
   50    58    64    66  -0.30950 -1.0 2.0
   50    58    64    66   0.27300  1.0 3.0
   50    58    64    68   3.69350  1.0 1.0
   50    58    64    68  -1.82950 -1.0 2.0
   50    58    78    74  -0.81800  1.0 1.0
   58    64    66    67   0.15000  1.0 3.0
   58    64    66    70   3.97050  1.0 1.0
   58    64    66    72   0.86500  1.0 1.0
   58    64    66    72  -0.17500 -1.0 2.0
   58    64    66    72   0.20800  1.0 3.0
   58    64    68    69  -0.11600  1.0 1.0
   58    64    68    69  -0.09450 -1.0 2.0
   58    64    68    69   0.21250  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    68   0.23400  1.0 3.0
   59    58    78    74   0.37050  1.0 3.0
   64    58    78    74   0.06250  1.0 1.0
   64    58    78    74  -0.01100 -1.0 2.0
   64    58    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76   0.86500  1.0 1.0
   64    66    70    76  -0.17500 -1.0 2.0
   64    66    70    76   0.20800  1.0 3.0
   64    66    72    73  -0.11600  1.0 1.0
   64    66    72    73  -0.09450 -1.0 2.0
   64    66    72    73   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69  -0.11600  1.0 1.0
   66    64    68    69  -0.09450 -1.0 2.0
   66    64    68    69   0.21250  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77  -0.11600  1.0 1.0
   66    70    76    77  -0.09450 -1.0 2.0
   66    70    76    77   0.21250  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73  -0.11600  1.0 1.0
   70    66    72    73  -0.09450 -1.0 2.0
   70    66    72    73   0.21250  1.0 3.0
   70    74   -78    58   0.06250  1.0 1.0
   70    74   -78    58  -0.01100 -1.0 2.0
   70    74   -78    58   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82   0.86500  1.0 1.0
   70    74    79    82  -0.17500 -1.0 2.0
   70    74    79    82   0.20800  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    79    82    83  -0.11600  1.0 1.0
   74    79    82    83  -0.09450 -1.0 2.0
   74    79    82    83   0.21250  1.0 3.0
   75    74    78    58   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    58    64    65   0.23400  1.0 3.0
   78    58   -64    66   0.62750  1.0 1.0
   78    58   -64    66  -0.30950 -1.0 2.0
   78    58   -64    66   0.27300  1.0 3.0
   78    58    64    68   3.69350  1.0 1.0
   78    58    64    68  -1.82950 -1.0 2.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   3.69350  1.0 1.0
   78    74    79    82  -1.82950 -1.0 2.0
   79    74    78    58   0.06250  1.0 1.0
   79    74    78    58  -0.01100 -1.0 2.0
   79    74    78    58   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   3.69350  1.0 1.0
   76    70    74    78  -1.82950 -1.0 2.0
   76    70    74    79   0.86500  1.0 1.0
   76    70    74    79  -0.17500 -1.0 2.0
   76    70    74    79   0.20800  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74   0.86500  1.0 1.0
   72    66    70    74  -0.17500 -1.0 2.0
   72    66    70    74   0.20800  1.0 3.0
   72    66    70    76   3.75450  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70   0.86500  1.0 1.0
   68    64    66    70  -0.17500 -1.0 2.0
   68    64    66    70   0.20800  1.0 3.0
   68    64    66    72   3.75450  1.0 1.0
   48    46    47    49   3.62500 -1.0 2.0
   48    46    47    50   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    55   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    55    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    48    46    41   4.00000 -1.0 2.0
   49    50    47    46   4.00000 -1.0 2.0
   55    57    49    47   4.00000 -1.0 2.0
   49    56    55    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
