* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    155    243     447
    1     0 S   NP   _N1_     1    29.48122    93.30690   -25.29007
    2     1 S   H    _HN1     2     1.02779   112.90696  -101.72278
    3     1 S   H    _H1_     3     1.02924    90.85332     8.69355
    4     1 S   H    _H2_     4     1.02842    16.20702  -176.61771
    5     1 S   CT   _CA1     5     1.50124   119.50112   122.87564
    6     5 S   HC   _HA1     6     1.09573   105.16573    74.01126
    7     5 S   CO3  _C1_     7     1.53787   112.46856   -46.13261
    8     7 S   O2Z  _O11     8     1.26354   114.99905   -41.03784
    9     7 S   O2Z  _O12     9     1.26232   114.93134   138.08131
   10     5 S   CT   _CB1    10     1.53102   107.49746  -168.02732
   11    10 S   HC   HB11    11     1.09821   109.36346   -49.35747
   12    10 S   HC   HB12    12     1.09817   110.45985    67.26224
   13    10 S   CT   _CG1    13     1.53043   112.64310  -170.41589
   14    13 S   HC   HG11    14     1.09590   110.41924   -64.35135
   15    13 S   HC   HG12    15     1.09647   110.01637    54.92134
   16    13 S   C    _CD1    16     1.51779   112.28992   175.26033
   17    16 S   O    _OE1    17     1.22743   123.20978    -1.76392
   18    16 S   N    _N2_    18     1.38691   111.72584   178.25213
   19    18 S   H    _HN2    19     1.01583   119.12865     1.86320
   20    18 S   CT1  _CA2    20     1.46065   123.22371  -178.76362
   21    20 S   HC   _HA2    21     1.09563   109.20715    -4.71127
   22    20 S   C    _C2_    22     1.53470   109.21443  -119.81831
   23    22 S   O    _O2_    23     1.23051   121.96199  -149.45222
   24    20 S   CT   _CB2    32     1.53508   111.84263   117.48352
   25    24 S   HC   HB21    33     1.09670   109.39984    66.21923
   26    24 S   HC   HB22    34     1.09517   110.71776  -176.96165
   27    22 S   N    _N3_    24     1.38421   113.64154    38.14657
   28    27 S   H    _HN3    25     1.01499   118.95707    -0.94460
   29    24 S   S    _SG2    35     1.82974   115.07339   -53.10645
   30    27 S   CT   _CA3    26     1.45454   123.52991   174.64851
   31    30 S   HC   HA31    27     1.09515   109.34895    22.69679
   32    30 S   HC   HA32    28     1.09496   107.11644   139.75483
   33    29 S   CT   _C14    36     1.83355   100.64605   -64.98316
   34    33 S   HC   _H3_    37     1.08944   109.09924    48.78279
   35    30 S   CO3  _C3_    29     1.52922   112.95709  -100.82150
   36    35 S   O2Z  _O31    30     1.26412   115.34983   -45.26442
   37    35 S   O2Z  _O32    31     1.26342   115.01188   135.58548
   38    33 S   CM   _C4_    38     1.49608   109.08981   172.22352
   39    38 S   CMA  _C5_    39     1.35007   111.03111   100.49090
   40    39 S   OM   _O20    40     1.26215   128.20350  -175.88272
   41    38 S   CT   _C12    63     1.50188   118.62066   -80.01818
   42    41 S   HC   _H32    64     1.09890   108.74961   -12.89769
   43    41 S   HC   _H33    65     1.09857   106.72535    98.32387
   44    39 S   OS   _O23    41     1.43094   109.47576     4.33002
   45    33 S   CT   _C16    42     1.52090   113.33754   -77.34470
   46    45 S   HC   _H38    43     1.09652   111.41993    26.18734
   47    45 S   CT   _C13    44     1.55149   114.28189   146.85093
   48    47 S   HC   _H34    45     1.09740   107.99221  -169.53288
   49    47 S   HC   _H35    46     1.09740   109.03210   -54.62012
   50    47 S   C3T  _C20    47     1.51075   114.82711    69.88251
   51    50 S   C3T  _C18    48     1.53147   117.58418   -71.39361
   52    51 S   HC   _H40    49     1.07942   122.25638    -6.25815
   53    50 S   CT   _C22    78     1.50635   116.31540    91.28288
   54    53 S   HC   _H45    79     1.09509   112.20821   171.60974
   55    53 S   HC   _H46    80     1.09548   110.09408    52.65880
   56    53 S   HC   _H47    81     1.09159   111.74219   -67.11438
   57    51 S   CT   _C17    50     1.49409   119.34029   146.55861
   58    57 S   HC   _H39    51     1.09712   110.74343   -18.97609
   59    50 S   O3T  _O25    77     1.43563   116.38396  -136.86960
   60    57 S   CT   _C15    52     1.53445   114.45480  -143.98612
   61    60 S   HC   _H37    53     1.10014   110.12572   -43.52103
   62    60 S   CM   _C6_    54     1.50730    97.45325  -153.64442
   63    60 S   CT   _C19    61     1.55534   117.41898    81.05573
   64    63 S   HC   _H41    62     1.09531   109.76486    60.37430
   65    62 S   CO4  _C7_    55     1.47975   108.11784    29.47746
   66    65 S   O    _O21    56     1.21731   127.37980   164.67217
   67    62 S   CM   _C8_    58     1.33657   132.69093  -146.79617
   68    67 S   HC   _H28    59     1.08165   122.39415    -1.59127
   69    67 S   HC   _H29    60     1.08600   121.46520   177.96337
   70    63 S   OS   _O26    66     1.46370   105.73348   177.68700
   71    57 S   OS   _O24    57     1.44118   108.68615    98.62595
   72    70 S   CO4  _C11    67     1.36015   118.32884  -152.68013
   73    72 S   O    _O22    68     1.22184   126.10670     1.96981
   74    72 S   CM   _C10    69     1.48964   109.30085  -177.85087
   75    74 S   CM   _C9_    70     1.34131   117.39896   173.95830
   76    75 S   HC   _H30    71     1.08548   120.93504  -179.68973
   77    75 S   HC   _H31    72     1.08531   122.45811    -0.13270
   78    74 S   CT   _C21    73     1.49760   120.11419    -5.92831
   79    78 S   HC   _H42    74     1.09480   110.51409   -60.97370
   80    78 S   HC   _H43    75     1.09451   110.72519    59.43767
   81    78 S   HC   _H44    76     1.09534   111.91866   179.24101
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  13   9   3  12   5   4   6   8   4  11   5
   4  11  14   6   5   3   2   1  12   7   2  12   7   9   8   2
   5   2   3   1   1   5   1   9   3   7   6   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    45    46    47    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    47    48    49    50    63    41    42    43  
   38    39    44    45    46    47    41  
   36    37  
   37  
    0  
   39    40    44    45    46    47    60    63    64    41    42    43    70  
   40    44    45    46    47    63    41    42    43  
   44    45    41  
   42    43    70    72    44    45    57    60    61    62    63    64  
   43    70    60    63    64  
   70    60    63    64  
   45    46    47    48    49    50  
   46    47    48    49    50    51    59    53  
   47    48    49    50  
   48    49    50    51    52    57    59    53    54    55    56  
   49    50    51    59    53  
   50    51    59    53  
   51    52    57    58    60    71    59    53    54    55    56  
   52    57    58    60    61    62    65    71    63    59    53    54    55    56  
   57    58    60    71    59    53  
   54    55    56    57    59  
   55    56    59  
   56    59  
   59  
   58    60    61    62    65    66    71    67    63    64    70    59  
   60    61    62    65    71    63    59  
   60    71  
   61    62    65    66    71    67    68    69    63    64    70    72  
   62    65    71    67    63    64    70  
   65    66    71    67    68    69    63    64    70  
   64    70    72    73    74    65    67    71  
   70    72  
   66    71    67    68    69  
   71    67  
   68    69    71  
   69  
    0  
   72    73    74    75    78  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.107500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    45   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   440.000  1.360
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   275.000  1.510
   50    51   260.000  1.509
   50    59   335.000  1.432
   50    53   275.000  1.510
   51    52   340.000  1.088
   51    57   275.000  1.510
   51    59   335.000  1.432
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    71   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    71   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    41   268.000  1.529
   63    70   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   70    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    75.00000  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    45    44    50.00000  109.50000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    80.00000  120.01400
   38    41    63    70.00000  112.02700
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   39    44    45    90.00000  111.18400
   44    39    40    65.00000  121.00000
   44    45    46    35.00000  109.50000
   44    45    47    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    70.00000  112.37300
   47    45    46    37.50000  110.70000
   47    50    51    60.00000  120.94000
   47    50    59    80.00000  116.47100
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    45.00000  109.38400
   50    47    49    45.00000  109.38400
   50    51    52    37.50000  117.20000
   50    51    57    60.00000  120.94000
   50    51    59    15.00000   60.43100
   50    59    51    15.00000   59.14900
   50    53    54    45.00000  109.38400
   50    53    55    45.00000  109.38400
   50    53    56    45.00000  109.38400
   51    57    58    45.00000  109.38400
   51    57    60    70.00000  112.37300
   51    57    71    50.00000  109.50000
   57    51    52    40.00000  115.04500
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   57    60    63    58.35000  112.70000
   57    71    65    83.00000  116.90000
   60    57    58    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    41    58.35000  112.70000
   60    63    70    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    71    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   71    57    58    35.00000  109.50000
   71    57    60    50.00000  109.50000
   71    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    41    42    37.50000  110.70000
   63    41    43    37.50000  110.70000
   63    70    72    83.00000  116.90000
   41    38    39    70.00000  124.00000
   41    63    64    37.50000  110.70000
   43    41    42    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    41    50.00000  109.50000
   70    72    73    83.00000  123.40000
   70    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   59    50    51    15.00000   60.43100
   59    51    52    50.00000  114.27700
   59    51    57    80.00000  116.47100
   53    50    51    60.00000  120.94000
   53    50    59    80.00000  116.47100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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  -0.62250  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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    45    44   0.56750  1.0 1.0
   29    33    45    44  -0.07550 -1.0 2.0
   29    33    45    44   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    44   7.00000 -1.0 2.0
   33    38    41    63   0.46850  1.0 1.0
   33    38    41    63   0.08550 -1.0 2.0
   33    38    41    63   0.09800  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.15000  1.0 3.0
   33    45    47    50   0.47050  1.0 1.0
   33    45    47    50   0.03900 -1.0 2.0
   33    45    47    50   0.20100  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    45    44   0.23400  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    47   0.15000  1.0 3.0
   38    33   -45    44   0.61850  1.0 1.0
   38    33   -45    44  -0.22750 -1.0 2.0
   38    33   -45    44   0.15300  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    47   0.34400  1.0 1.0
   38    33    45    47   0.09450 -1.0 2.0
   38    33    45    47   0.11100  1.0 3.0
   38    39   -44    45  -2.26850  1.0 1.0
   38    39   -44    45   3.39050 -1.0 2.0
   39    38    41    63   0.09850  1.0 1.0
   39    38    41    63   0.15250 -1.0 2.0
   39    38    41    63  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    44   -45    33  -0.46850  1.0 1.0
   39    44   -45    33   0.09300 -1.0 2.0
   39    44   -45    33  -0.12850  1.0 3.0
   39    44    45    46   0.08050  1.0 3.0
   39    44    45    47  -0.46850  1.0 1.0
   39    44    45    47   0.09300 -1.0 2.0
   39    44    45    47  -0.12850  1.0 3.0
   40    39    44    45   2.00000 -1.0 2.0
   44    45    47    48   0.23400  1.0 3.0
   44    45    47    49   0.23400  1.0 3.0
   44    45    47    50  -0.26800  1.0 1.0
   44    45    47    50   0.69150 -1.0 2.0
   44    45    47    50  -0.48750  1.0 3.0
   45    33   -38    39   0.09850  1.0 1.0
   45    33   -38    39   0.15250 -1.0 2.0
   45    33   -38    39  -0.50650  1.0 3.0
   45    33    38    41   0.46850  1.0 1.0
   45    33    38    41   0.08550 -1.0 2.0
   45    33    38    41   0.09800  1.0 3.0
   45    47    50    51   0.07850  1.0 1.0
   45    47    50    51  -0.03950 -1.0 2.0
   45    47    50    51   0.67350  1.0 3.0
   45    47    50    59   0.02550  1.0 1.0
   45    47    50    59  -0.02600 -1.0 2.0
   45    47    50    59   1.20400  1.0 3.0
   45    47    50    53   0.56750  1.0 1.0
   45    47    50    53  -0.07550 -1.0 2.0
   45    47    50    53   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   47    50    51    52   0.15000  1.0 3.0
   47    50    51    57   0.56750  1.0 1.0
   47    50    51    57  -0.07550 -1.0 2.0
   47    50    51    57   0.20000  1.0 3.0
   47    50   -51    59   0.02550  1.0 1.0
   47    50   -51    59  -0.02600 -1.0 2.0
   47    50   -51    59   1.20400  1.0 3.0
   47    50   -59    51   0.06250  1.0 1.0
   47    50   -59    51  -0.01100 -1.0 2.0
   47    50   -59    51   0.28050  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55   0.15000  1.0 3.0
   47    50    53    56   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    59   0.23400  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    59   0.23400  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    60   0.07850  1.0 1.0
   50    51    57    60  -0.03950 -1.0 2.0
   50    51    57    60   0.67350  1.0 3.0
   50    51    57    71  -0.26800  1.0 1.0
   50    51    57    71   0.69150 -1.0 2.0
   50    51    57    71  -0.48750  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.34400  1.0 1.0
   51    57    60    62   0.09450 -1.0 2.0
   51    57    60    62   0.11100  1.0 3.0
   51    57    60    63   0.47050  1.0 1.0
   51    57    60    63   0.03900 -1.0 2.0
   51    57    60    63   0.20100  1.0 3.0
   51    57    71    65  -0.25900  1.0 1.0
   51    57    71    65  -0.47000 -1.0 2.0
   51    57    71    65   0.11750  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   52    51    57    71   0.23400  1.0 3.0
   52    51   -59    50   0.36800  1.0 3.0
   57    51   -59    50   0.06250  1.0 1.0
   57    51   -59    50  -0.01100 -1.0 2.0
   57    51   -59    50   0.28050  1.0 3.0
   57    60   -62    65   0.09700  1.0 1.0
   57    60   -62    65   0.15600 -1.0 2.0
   57    60   -62    65  -0.50800  1.0 3.0
   57    60    62    67   0.09850  1.0 1.0
   57    60    62    67   0.15250 -1.0 2.0
   57    60    62    67  -0.50650  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    41   0.56750  1.0 1.0
   57    60    63    41  -0.07550 -1.0 2.0
   57    60    63    41   0.20000  1.0 3.0
   57    60    63    70   0.62750  1.0 1.0
   57    60    63    70  -0.30950 -1.0 2.0
   57    60    63    70   0.27300  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    71    65   0.08050  1.0 3.0
   60    57   -71    65  -0.25900  1.0 1.0
   60    57   -71    65  -0.47000 -1.0 2.0
   60    57   -71    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    71  -0.15000  1.0 1.0
   60    62   -65    71   0.89550 -1.0 2.0
   60    62   -65    71  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    41    38   0.34400  1.0 1.0
   60    63    41    38   0.09450 -1.0 2.0
   60    63    41    38   0.11100  1.0 3.0
   60    63    41    42   0.15000  1.0 3.0
   60    63    41    43   0.15000  1.0 3.0
   60    63    70    72  -0.25900  1.0 1.0
   60    63    70    72  -0.47000 -1.0 2.0
   60    63    70    72   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    41   0.15000  1.0 3.0
   61    60    63    70   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    41   0.34400  1.0 1.0
   62    60    63    41   0.09450 -1.0 2.0
   62    60    63    41   0.11100  1.0 3.0
   62    60    63    70   0.61850  1.0 1.0
   62    60    63    70  -0.22750 -1.0 2.0
   62    60    63    70   0.15300  1.0 3.0
   62    65   -71    57   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    71    57   3.00000 -1.0 2.0
   71    57    60    61   0.23400  1.0 3.0
   71    57   -60    62   0.61850  1.0 1.0
   71    57   -60    62  -0.22750 -1.0 2.0
   71    57   -60    62   0.15300  1.0 3.0
   71    57    60    63   0.62750  1.0 1.0
   71    57    60    63  -0.30950 -1.0 2.0
   71    57    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    71  -0.56150  1.0 1.0
   67    62    65    71   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    72    73   3.00000 -1.0 2.0
   63    70    72    74   2.00000 -1.0 2.0
   64    63    41    38   0.15000  1.0 3.0
   64    63    41    42   0.15000  1.0 3.0
   64    63    41    43   0.15000  1.0 3.0
   64    63    70    72   0.08050  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    63    70    72  -0.25900  1.0 1.0
   41    63    70    72  -0.47000 -1.0 2.0
   41    63    70    72   0.11750  1.0 3.0
   70    63    41    38   0.61850  1.0 1.0
   70    63    41    38  -0.22750 -1.0 2.0
   70    63    41    38   0.15300  1.0 3.0
   70    63    41    42   0.23400  1.0 3.0
   70    63    41    43   0.23400  1.0 3.0
   70    72    74    75  -0.56150  1.0 1.0
   70    72    74    75   2.19150 -1.0 2.0
   70    72    74    78  -0.15000  1.0 1.0
   70    72    74    78   0.89550 -1.0 2.0
   70    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   59    50   -51    52   0.23400  1.0 3.0
   59    50   -51    57   0.02550  1.0 1.0
   59    50   -51    57  -0.02600 -1.0 2.0
   59    50   -51    57   1.20400  1.0 3.0
   59    50    53    54   0.23400  1.0 3.0
   59    50    53    55   0.23400  1.0 3.0
   59    50    53    56   0.23400  1.0 3.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    60   0.02550  1.0 1.0
   59    51    57    60  -0.02600 -1.0 2.0
   59    51    57    60   1.20400  1.0 3.0
   59    51    57    71   1.11900  1.0 1.0
   59    51    57    71  -1.16350 -1.0 2.0
   59    51    57    71  -0.34150  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50   -51    59   0.02550  1.0 1.0
   53    50   -51    59  -0.02600 -1.0 2.0
   53    50   -51    59   1.20400  1.0 3.0
   53    50   -59    51   0.06250  1.0 1.0
   53    50   -59    51  -0.01100 -1.0 2.0
   53    50   -59    51   0.28050  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    44    39    38   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    71    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
