* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    157    268     479
    1     0 S   NP   _N1_     1    28.20030    97.23848   -22.40883
    2     1 S   H    _HN1     2     1.02953    74.48360   -16.20605
    3     1 S   H    _H1_     3     1.02835    36.45470   136.72469
    4     1 S   H    _H2_     4     1.02775   103.77436  -121.73557
    5     1 S   CT   _CA1     5     1.50166   139.01366    87.23349
    6     5 S   HC   _HA1     6     1.09575   105.20125    88.35683
    7     5 S   CO3  _C1_     7     1.53786   112.04990   -31.80006
    8     7 S   O2Z  _O11     8     1.26374   115.00799   -49.33101
    9     7 S   O2Z  _O12     9     1.26201   114.90567   129.33718
   10     5 S   CT   _CB1    10     1.53058   107.36185  -153.81841
   11    10 S   HC   HB11    11     1.09839   109.39679   -49.62923
   12    10 S   HC   HB12    12     1.09812   110.44529    66.90493
   13    10 S   CT   _CG1    13     1.53060   112.69593  -170.58086
   14    13 S   HC   HG11    14     1.09591   110.63518   -64.02910
   15    13 S   HC   HG12    15     1.09652   109.86338    55.23926
   16    13 S   C    _CD1    16     1.51861   111.95909   175.69361
   17    16 S   O    _OE1    17     1.22799   123.17841     6.27098
   18    16 S   N    _N2_    18     1.38494   111.99656  -174.06766
   19    18 S   H    _HN2    19     1.01642   119.30495     2.98255
   20    18 S   CT1  _CA2    20     1.45948   122.66856   179.06080
   21    20 S   HC   _HA2    21     1.09739   108.67420    28.62593
   22    20 S   C    _C2_    22     1.52923   107.07322   -88.57431
   23    22 S   O    _O2_    23     1.22990   123.04054   -29.18671
   24    20 S   CT   _CB2    32     1.53281   112.22507   151.61076
   25    24 S   HC   HB21    33     1.09254   109.13512    57.48005
   26    24 S   HC   HB22    34     1.09452   109.90219   175.92052
   27    22 S   N    _N3_    24     1.38508   112.61251   153.20967
   28    27 S   H    _HN3    25     1.01649   120.35744    -0.69492
   29    24 S   S    _SG2    35     1.82877   110.31067   -64.17736
   30    27 S   CT   _CA3    26     1.45355   122.42352   178.87708
   31    30 S   HC   HA31    27     1.09564   107.48256   -63.89208
   32    30 S   HC   HA32    28     1.09574   107.92292    52.41887
   33    29 S   CT   _C9_    36     1.88466   102.67608   166.79918
   34    30 S   CO3  _C3_    29     1.52888   114.42672   174.50941
   35    34 S   O2Z  _O31    30     1.26326   116.11744     1.48253
   36    34 S   O2Z  _O32    31     1.26462   114.39181  -178.45516
   37    33 S   CM   _C8_    37     1.51282   105.22992    61.22689
   38    37 S   HC   _H12    38     1.08993   116.40047    68.01018
   39    33 S   CT   _C13    62     1.55904   110.56616  -178.20474
   40    39 S   HC   _H5_    63     1.09833   105.54917  -160.42636
   41    37 S   CMA  _C7_    39     1.34865   125.76351  -109.75394
   42    41 S   OM   _O35    40     1.26169   129.80443   177.09108
   43    41 S   CT   _C6_    41     1.52610   118.05853    -2.59857
   44    43 S   HC   _H10    42     1.09978   108.17565    89.73173
   45    43 S   HC   _H11    43     1.10176   110.76447  -155.68369
   46    43 S   CT   _C5_    44     1.55191   113.95739   -32.31853
   47    33 S   CT   _C10    45     1.56297   111.26269   -64.13874
   48    47 S   HC   _H3_    46     1.09386   107.49005    14.60899
   49    46 S   CO3  _C22    73     1.57315   103.18181   -76.30923
   50    49 S   O2Z  _O37    74     1.26227   116.29102   102.12624
   51    49 S   O2Z  _O36    75     1.26699   116.13845   -77.57596
   52    46 S   CT   _C4_    76     1.54790   108.56434   171.85753
   53    52 S   HC   _H7_    77     1.09613   111.31220   -69.75038
   54    52 S   HC   _H8_    78     1.09562   111.25097   169.86566
   55    52 S   HC   _H9_    79     1.09633   112.37229    49.30517
   56    47 S   CT   _C11    47     1.56190   107.89654  -101.38767
   57    56 S   HC   _H4_    48     1.09659   108.69382  -111.49754
   58    56 S   CT   _C12    49     1.54005   106.62273     4.53518
   59    56 S   CO3  _C21    70     1.54516   115.70588   131.11873
   60    59 S   O2Z  _O34    71     1.26237   116.62394   -27.80883
   61    59 S   O2Z  _O33    72     1.26571   114.46520   152.66476
   62    58 S   CT   _C20    50     1.54966   114.04879  -144.34094
   63    62 S   HC   _H21    51     1.09463   112.55925    77.42108
   64    62 S   HC   _H22    52     1.09589   111.04904   -44.96313
   65    62 S   CM   _C18    53     1.51115   102.57932  -161.81972
   66    65 S   CT   _C16    54     1.51255   109.49829    10.46174
   67    66 S   HC   _H6_    55     1.09480   112.46258   138.97390
   68    65 S   CM   _C19    67     1.33711   125.01263  -170.58428
   69    68 S   HC   _H19    68     1.08448   121.04849  -179.43421
   70    68 S   HC   _H20    69     1.08461   120.95820     0.61548
   71    66 S   CT   _C15    56     1.53206   112.24967   -94.98369
   72    71 S   HC   _H15    57     1.09722   110.03494   -70.94102
   73    71 S   HC   _H16    58     1.09677   108.92064   173.28169
   74    58 S   CT   _C17    64     1.53819   116.48155   100.08835
   75    74 S   HC   _H17    65     1.09862   111.58095    57.49439
   76    74 S   HC   _H18    66     1.08985   115.14881   -64.05616
   77    71 S   CT   _C14    59     1.53449   113.47676    51.39978
   78    77 S   HC   _H13    60     1.09545   110.11395   159.70556
   79    77 S   HC   _H14    61     1.09982   106.58768   -87.56181
  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  12   5   4   3
  22   2   1   1  14   5  23   9   8   4  13   5   4  13  17   6
   7   2   1   4   2   1   1  14   6  17   4   1   1  13   5   4
  12  13   8   4   1   1   8   5   4   3   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    46    47    48    56    58    77    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    46    47    48    56    57    58    62    71    77    78    79    39    40    74    59    49    52  
   35    36  
   36  
    0  
   38    41    42    43    44    45    46    47    48    56    58    77    39    40  
   41    42    43    47    39  
   40    74    75    76    59    41    46    47    48    56    57    58    62    63    64    65    66    71    72    73    77    78    79  
   74    47    56    58    62    71    77    78    79  
   42    43    44    45    46    47    49    52  
   43    44    45    46  
   44    45    46    47    48    56    49    50    51    52    53    54    55  
   45    46    47    49    52  
   46    47    49    52  
   47    48    56    57    58    59    49    50    51    52    53    54    55  
   48    56    57    58    62    77    74    59    60    61    49    50    51    52    53    54    55  
   56    57    58    59    49    52  
   50    51    52    53    54    55    56  
   51    52  
   52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    62    63    64    65    66    77    74    75    76    59    60    61  
   58    62    74    59    60    61  
   62    63    64    65    66    67    71    77    78    79    74    75    76    68    59    60    61  
   60    61    62    74  
   61  
    0  
   63    64    65    66    67    71    77    74    75    76    68    69    70  
   64    65    66    74    68  
   65    66    74    68  
   66    67    71    72    73    77    74    75    76    68    69    70  
   67    71    72    73    77    78    79    74    75    76    68    69    70  
   71    72    73    77    74    75    76    68  
   69    70    71    74  
   70  
    0  
   72    73    77    78    79    74    75    76  
   73    77    78    79    74  
   77    78    79    74  
   75    76    77  
   76  
    0  
   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  -0.335000   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    47   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    43   270.000  1.512
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    49   317.000  1.522
   46    52   268.000  1.529
   47    48   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    59   317.000  1.522
   58    62   268.000  1.529
   58    39   268.000  1.529
   58    74   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   317.000  1.510
   65    68   549.000  1.340
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    39   268.000  1.529
   39    40   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   59    60   656.000  1.250
   59    61   656.000  1.250
   49    50   656.000  1.250
   49    51   656.000  1.250
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    47    46    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    56    58.35000  112.70000
   33    39    58    58.35000  112.70000
   33    39    77    58.35000  112.70000
   33    39    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    43    44    45.00000  110.52000
   41    43    45    45.00000  110.52000
   41    43    46    70.00000  112.02700
   43    41    42    85.00000  112.85300
   43    46    47    58.35000  112.70000
   43    46    49    70.00000  109.69300
   43    46    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    47    48    37.50000  110.70000
   46    47    56    58.35000  112.70000
   46    49    50    70.00000  117.00000
   46    49    51    70.00000  117.00000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   47    33    37    70.00000  112.02700
   47    56    57    37.50000  110.70000
   47    56    58    58.35000  112.70000
   47    56    59    70.00000  109.69300
   56    47    48    37.50000  110.70000
   56    58    62    58.35000  112.70000
   56    58    39    58.35000  112.70000
   56    58    74    58.35000  112.70000
   56    59    60    70.00000  117.00000
   56    59    61    70.00000  117.00000
   58    56    57    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    70.00000  112.02700
   58    39    77    58.35000  112.70000
   58    39    40    37.50000  110.70000
   58    74    66    58.35000  112.70000
   58    74    75    37.50000  110.70000
   58    74    76    37.50000  110.70000
   62    65    66    65.00000  117.92700
   62    65    68    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    35.00000  109.50000
   65    66    71    70.00000  112.02700
   65    66    74    70.00000  112.02700
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    77    58.35000  112.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   71    66    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    39    40    37.50000  110.70000
   79    77    78    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    47    58.35000  112.70000
   39    58    62    58.35000  112.70000
   39    77    78    37.50000  110.70000
   39    77    79    37.50000  110.70000
   74    58    62    58.35000  112.70000
   74    58    39    58.35000  112.70000
   74    66    67    37.50000  110.70000
   74    66    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   68    65    66    70.00000  124.00000
   70    68    69    35.00000  117.00000
   59    56    57    35.00000  109.50000
   59    56    58    70.00000  109.69300
   61    59    60    80.00000  126.00000
   49    46    47    70.00000  109.69300
   51    49    50    80.00000  126.00000
   52    46    47    58.35000  112.70000
   52    46    49    70.00000  109.69300
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    47    46   0.44750  1.0 1.0
   29    33    47    46  -0.17800 -1.0 2.0
   29    33    47    46   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    56   0.44750  1.0 1.0
   29    33    47    56  -0.17800 -1.0 2.0
   29    33    47    56   0.20200  1.0 3.0
   29    33    39    58   0.44750  1.0 1.0
   29    33    39    58  -0.17800 -1.0 2.0
   29    33    39    58   0.20200  1.0 3.0
   29    33    39    77   0.44750  1.0 1.0
   29    33    39    77  -0.17800 -1.0 2.0
   29    33    39    77   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    47    56    57   0.15000  1.0 3.0
   33    47   -56    58   0.56750  1.0 1.0
   33    47   -56    58  -0.07550 -1.0 2.0
   33    47   -56    58   0.20000  1.0 3.0
   33    47    56    59  -1.63150  1.0 1.0
   33    47    56    59  -0.43550 -1.0 2.0
   33    47    56    59   0.24500  1.0 3.0
   37    33    47    46   0.34400  1.0 1.0
   37    33    47    46   0.09450 -1.0 2.0
   37    33    47    46   0.11100  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    56   0.34400  1.0 1.0
   37    33    47    56   0.09450 -1.0 2.0
   37    33    47    56   0.11100  1.0 3.0
   37    33    39    58   0.34400  1.0 1.0
   37    33    39    58   0.09450 -1.0 2.0
   37    33    39    58   0.11100  1.0 3.0
   37    33    39    77   0.34400  1.0 1.0
   37    33    39    77   0.09450 -1.0 2.0
   37    33    39    77   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    41    43    44   0.00000  1.0 1.0
   37    41    43    45   0.00000  1.0 1.0
   37    41   -43    46   0.09850  1.0 1.0
   37    41   -43    46   0.15250 -1.0 2.0
   37    41   -43    46  -0.50650  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    46    47   0.34400  1.0 1.0
   41    43    46    47   0.09450 -1.0 2.0
   41    43    46    47   0.11100  1.0 3.0
   41    43    46    49  -0.98800  1.0 1.0
   41    43    46    49   0.48800 -1.0 2.0
   41    43    46    49   0.76800  1.0 3.0
   41    43    46    52   0.34400  1.0 1.0
   41    43    46    52   0.09450 -1.0 2.0
   41    43    46    52   0.11100  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.09700  1.0 1.0
   42    41    43    46   0.15600 -1.0 2.0
   42    41    43    46  -0.50800  1.0 3.0
   43    46   -47    33   0.56750  1.0 1.0
   43    46   -47    33  -0.07550 -1.0 2.0
   43    46   -47    33   0.20000  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    56   0.56750  1.0 1.0
   43    46    47    56  -0.07550 -1.0 2.0
   43    46    47    56   0.20000  1.0 3.0
   43    46    49    50   0.41150 -1.0 2.0
   43    46    49    51   0.41150 -1.0 2.0
   43    46    52    53   0.15000  1.0 3.0
   43    46    52    54   0.15000  1.0 3.0
   43    46    52    55   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    49  -0.11250  1.0 3.0
   44    43    46    52   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    49  -0.11250  1.0 3.0
   45    43    46    52   0.15000  1.0 3.0
   46    47    56    57   0.15000  1.0 3.0
   46    47    56    58   0.56750  1.0 1.0
   46    47    56    58  -0.07550 -1.0 2.0
   46    47    56    58   0.20000  1.0 3.0
   46    47    56    59  -1.63150  1.0 1.0
   46    47    56    59  -0.43550 -1.0 2.0
   46    47    56    59   0.24500  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    41   0.09850  1.0 1.0
   47    33   -37    41   0.15250 -1.0 2.0
   47    33   -37    41  -0.50650  1.0 3.0
   47    33   -39    58   0.56750  1.0 1.0
   47    33   -39    58  -0.07550 -1.0 2.0
   47    33   -39    58   0.20000  1.0 3.0
   47    33    39    77   0.56750  1.0 1.0
   47    33    39    77  -0.07550 -1.0 2.0
   47    33    39    77   0.20000  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    46    49    50   0.41150 -1.0 2.0
   47    46    49    51   0.41150 -1.0 2.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   47    56    58    62   0.56750  1.0 1.0
   47    56    58    62  -0.07550 -1.0 2.0
   47    56    58    62   0.20000  1.0 3.0
   47    56   -58    39   0.56750  1.0 1.0
   47    56   -58    39  -0.07550 -1.0 2.0
   47    56   -58    39   0.20000  1.0 3.0
   47    56    58    74   0.56750  1.0 1.0
   47    56    58    74  -0.07550 -1.0 2.0
   47    56    58    74   0.20000  1.0 3.0
   47    56    59    60   0.41150 -1.0 2.0
   47    56    59    61   0.41150 -1.0 2.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   48    47    56    59  -0.11250  1.0 3.0
   56    58    62    63   0.15000  1.0 3.0
   56    58    62    64   0.15000  1.0 3.0
   56    58    62    65   0.34400  1.0 1.0
   56    58    62    65   0.09450 -1.0 2.0
   56    58    62    65   0.11100  1.0 3.0
   56    58   -39    33   0.56750  1.0 1.0
   56    58   -39    33  -0.07550 -1.0 2.0
   56    58   -39    33   0.20000  1.0 3.0
   56    58    39    77   0.56750  1.0 1.0
   56    58    39    77  -0.07550 -1.0 2.0
   56    58    39    77   0.20000  1.0 3.0
   56    58    39    40   0.15000  1.0 3.0
   56    58    74    66   0.56750  1.0 1.0
   56    58    74    66  -0.07550 -1.0 2.0
   56    58    74    66   0.20000  1.0 3.0
   56    58    74    75   0.15000  1.0 3.0
   56    58    74    76   0.15000  1.0 3.0
   57    56    58    62   0.15000  1.0 3.0
   57    56    58    39   0.15000  1.0 3.0
   57    56    58    74   0.15000  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.41150 -1.0 2.0
   58    56    59    61   0.41150 -1.0 2.0
   58    62   -65    66   0.46850  1.0 1.0
   58    62   -65    66   0.08550 -1.0 2.0
   58    62   -65    66   0.09800  1.0 3.0
   58    62    65    68   0.09850  1.0 1.0
   58    62    65    68   0.15250 -1.0 2.0
   58    62    65    68  -0.50650  1.0 3.0
   62    58    39    33   0.56750  1.0 1.0
   62    58    39    33  -0.07550 -1.0 2.0
   62    58    39    33   0.20000  1.0 3.0
   62    58    39    77   0.56750  1.0 1.0
   62    58    39    77  -0.07550 -1.0 2.0
   62    58    39    77   0.20000  1.0 3.0
   62    58    39    40   0.15000  1.0 3.0
   62    58   -74    66   0.56750  1.0 1.0
   62    58   -74    66  -0.07550 -1.0 2.0
   62    58   -74    66   0.20000  1.0 3.0
   62    58    74    75   0.15000  1.0 3.0
   62    58    74    76   0.15000  1.0 3.0
   62    65    66    67   0.34800  1.0 3.0
   62    65    66    71   0.46850  1.0 1.0
   62    65    66    71   0.08550 -1.0 2.0
   62    65    66    71   0.09800  1.0 3.0
   62    65   -66    74   0.46850  1.0 1.0
   62    65   -66    74   0.08550 -1.0 2.0
   62    65   -66    74   0.09800  1.0 3.0
   62    65    68    69   7.00000 -1.0 2.0
   62    65    68    70   7.00000 -1.0 2.0
   63    62    65    66   0.34800  1.0 3.0
   63    62    65    68   0.00000  1.0 1.0
   64    62    65    66   0.34800  1.0 3.0
   64    62    65    68   0.00000  1.0 1.0
   65    66    71    72   0.15000  1.0 3.0
   65    66    71    73   0.15000  1.0 3.0
   65    66    71    77   0.34400  1.0 1.0
   65    66    71    77   0.09450 -1.0 2.0
   65    66    71    77   0.11100  1.0 3.0
   65    66   -74    58   0.34400  1.0 1.0
   65    66   -74    58   0.09450 -1.0 2.0
   65    66   -74    58   0.11100  1.0 3.0
   65    66    74    75   0.15000  1.0 3.0
   65    66    74    76   0.15000  1.0 3.0
   66    65    68    69   7.00000 -1.0 2.0
   66    65    68    70   7.00000 -1.0 2.0
   66    71    77    78   0.15000  1.0 3.0
   66    71    77    79   0.15000  1.0 3.0
   66    71    77    39   0.56750  1.0 1.0
   66    71    77    39  -0.07550 -1.0 2.0
   66    71    77    39   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    77   0.15000  1.0 3.0
   67    66    74    58   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   71    66    74    58   0.56750  1.0 1.0
   71    66    74    58  -0.07550 -1.0 2.0
   71    66    74    58   0.20000  1.0 3.0
   71    66    74    75   0.15000  1.0 3.0
   71    66    74    76   0.15000  1.0 3.0
   71    77    39    33   0.56750  1.0 1.0
   71    77    39    33  -0.07550 -1.0 2.0
   71    77    39    33   0.20000  1.0 3.0
   71    77   -39    58   0.56750  1.0 1.0
   71    77   -39    58  -0.07550 -1.0 2.0
   71    77   -39    58   0.20000  1.0 3.0
   71    77    39    40   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    39   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    39   0.15000  1.0 3.0
   78    77    39    33   0.15000  1.0 3.0
   78    77    39    58   0.15000  1.0 3.0
   78    77    39    40   0.15000  1.0 3.0
   79    77    39    33   0.15000  1.0 3.0
   79    77    39    58   0.15000  1.0 3.0
   79    77    39    40   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    47    46   0.56750  1.0 1.0
   39    33    47    46  -0.07550 -1.0 2.0
   39    33    47    46   0.20000  1.0 3.0
   39    33    47    48   0.15000  1.0 3.0
   39    33   -47    56   0.56750  1.0 1.0
   39    33   -47    56  -0.07550 -1.0 2.0
   39    33   -47    56   0.20000  1.0 3.0
   39    58    62    63   0.15000  1.0 3.0
   39    58    62    64   0.15000  1.0 3.0
   39    58    62    65   0.34400  1.0 1.0
   39    58    62    65   0.09450 -1.0 2.0
   39    58    62    65   0.11100  1.0 3.0
   39    58   -74    66   0.56750  1.0 1.0
   39    58   -74    66  -0.07550 -1.0 2.0
   39    58   -74    66   0.20000  1.0 3.0
   39    58    74    75   0.15000  1.0 3.0
   39    58    74    76   0.15000  1.0 3.0
   74    58    62    63   0.15000  1.0 3.0
   74    58    62    64   0.15000  1.0 3.0
   74    58   -62    65   0.34400  1.0 1.0
   74    58   -62    65   0.09450 -1.0 2.0
   74    58   -62    65   0.11100  1.0 3.0
   74    58    39    33   0.56750  1.0 1.0
   74    58    39    33  -0.07550 -1.0 2.0
   74    58    39    33   0.20000  1.0 3.0
   74    58    39    77   0.56750  1.0 1.0
   74    58    39    77  -0.07550 -1.0 2.0
   74    58    39    77   0.20000  1.0 3.0
   74    58    39    40   0.15000  1.0 3.0
   74    66    71    72   0.15000  1.0 3.0
   74    66    71    73   0.15000  1.0 3.0
   74    66   -71    77   0.56750  1.0 1.0
   74    66   -71    77  -0.07550 -1.0 2.0
   74    66   -71    77   0.20000  1.0 3.0
   68    65    66    67   0.00000  1.0 1.0
   68    65    66    71   0.09850  1.0 1.0
   68    65    66    71   0.15250 -1.0 2.0
   68    65    66    71  -0.50650  1.0 3.0
   68    65    66    74   0.09850  1.0 1.0
   68    65    66    74   0.15250 -1.0 2.0
   68    65    66    74  -0.50650  1.0 3.0
   59    56    58    62  -1.63150  1.0 1.0
   59    56    58    62  -0.43550 -1.0 2.0
   59    56    58    62   0.24500  1.0 3.0
   59    56    58    39  -1.63150  1.0 1.0
   59    56    58    39  -0.43550 -1.0 2.0
   59    56    58    39   0.24500  1.0 3.0
   59    56    58    74  -1.63150  1.0 1.0
   59    56    58    74  -0.43550 -1.0 2.0
   59    56    58    74   0.24500  1.0 3.0
   49    46    47    33  -1.63150  1.0 1.0
   49    46    47    33  -0.43550 -1.0 2.0
   49    46    47    33   0.24500  1.0 3.0
   49    46    47    48  -0.11250  1.0 3.0
   49    46    47    56  -1.63150  1.0 1.0
   49    46    47    56  -0.43550 -1.0 2.0
   49    46    47    56   0.24500  1.0 3.0
   49    46    52    53  -0.11250  1.0 3.0
   49    46    52    54  -0.11250  1.0 3.0
   49    46    52    55  -0.11250  1.0 3.0
   52    46    47    33   0.56750  1.0 1.0
   52    46    47    33  -0.07550 -1.0 2.0
   52    46    47    33   0.20000  1.0 3.0
   52    46    47    48   0.15000  1.0 3.0
   52    46    47    56   0.56750  1.0 1.0
   52    46    47    56  -0.07550 -1.0 2.0
   52    46    47    56   0.20000  1.0 3.0
   52    46    49    50   0.41150 -1.0 2.0
   52    46    49    51   0.41150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   62    66    65    68   1.10000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
   60    56    59    61  10.50000 -1.0 2.0
   50    46    49    51  10.50000 -1.0 2.0
END
