* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    143    217     422
    1     0 S   NP   _N1_     1    28.75646    94.06047   -19.84916
    2     1 S   H    _HN1     2     1.02854    27.90571   148.99510
    3     1 S   H    _H1_     3     1.02804    86.70550   -71.44056
    4     1 S   H    _H2_     4     1.02946    97.71121    36.42697
    5     1 S   CT   _CA1     5     1.50139   137.54845   168.93053
    6     5 S   HC   _HA1     6     1.09616   105.15252    50.04325
    7     5 S   CO3  _C1_     7     1.53732   111.80286   -69.42419
    8     7 S   O2Z  _O11     8     1.26272   115.30987   -62.72319
    9     7 S   O2Z  _O12     9     1.26255   114.75399   115.97092
   10     5 S   CT   _CB1    10     1.53065   107.29859   167.08538
   11    10 S   HC   HB11    11     1.09824   108.97659   -53.69209
   12    10 S   HC   HB12    12     1.09808   110.71458    62.69909
   13    10 S   CT   _CG1    13     1.53006   112.65031  -174.87256
   14    13 S   HC   HG11    14     1.09562   110.35129   -65.52568
   15    13 S   HC   HG12    15     1.09648   110.08757    53.55118
   16    13 S   C    _CD1    16     1.51873   112.08150   173.35684
   17    16 S   O    _OE1    17     1.22760   123.11519    -9.60261
   18    16 S   N    _N2_    18     1.38516   111.88767   171.60632
   19    18 S   H    _HN2    19     1.01818   118.82552    -0.60458
   20    18 S   CT1  _CA2    20     1.46256   123.43538   177.92812
   21    20 S   HC   _HA2    21     1.09736   109.24021   -16.26399
   22    20 S   C    _C2_    22     1.53507   108.14707  -131.75712
   23    22 S   O    _O2_    23     1.23014   122.26890  -146.47499
   24    20 S   CT   _CB2    32     1.53393   111.75640   106.07016
   25    24 S   HC   HB21    33     1.09406   109.51591    55.72636
   26    24 S   HC   HB22    34     1.09522   110.61662   173.60322
   27    22 S   N    _N3_    24     1.38533   113.38779    40.88098
   28    27 S   H    _HN3    25     1.01554   118.81600    -0.81157
   29    24 S   S    _SG2    35     1.82988   111.89480   -67.52716
   30    27 S   CT   _CA3    26     1.45448   123.56107   175.18952
   31    30 S   HC   HA31    27     1.09514   109.31520    22.53120
   32    30 S   HC   HA32    28     1.09501   107.08471   139.51545
   33    29 S   CT   _C17    36     1.84057   100.22896   143.55681
   34    33 S   HC   _H8_    37     1.09729   106.32465    50.24237
   35    30 S   CO3  _C3_    29     1.52900   113.08201  -101.05478
   36    35 S   O2Z  _O31    30     1.26401   115.37927   -44.81838
   37    35 S   O2Z  _O32    31     1.26348   114.98559   136.13384
   38    33 S   CA   _C7_    38     1.52007   111.58436   -69.30592
   39    33 S   CT   _C18    75     1.53547   108.48668   166.13355
   40    39 S   HC   _H21    76     1.09686   110.76483   -53.62398
   41    39 S   HC   _H22    77     1.09608   112.44439    67.19060
   42    38 S   CA   _C8_    39     1.40298   121.77713   -61.01265
   43    42 S   HA   _H13    40     1.08725   120.74927    -1.01356
   44    39 S   CO4  _C19    78     1.50897   110.78700  -171.21624
   45    44 S   O    _O40    79     1.22689   123.32833  -128.62179
   46    44 S   HC   _H23    80     1.10363   115.87405    54.12248
   47    42 S   CA   _C9_    41     1.39294   120.56620   178.41761
   48    47 S   HA   _H14    42     1.08617   119.41407   179.61437
   49    47 S   CA   _C10    43     1.39542   119.80472    -0.59774
   50    49 S   CA   _C5_    44     1.40039   120.87026     2.60729
   51    49 S   OS   _O34    52     1.37354   120.32302  -179.72305
   52    38 S   CA   _C6_    45     1.40810   119.39037   118.85354
   53    52 S   HA   _H12    46     1.08637   118.24329     1.08173
   54    50 S   OS   _O33    47     1.37058   115.99633   178.17651
   55    51 S   CO   _C11    53     1.44145   111.69588    69.55353
   56    55 S   HC   _H3_    54     1.09747   108.86186   -64.09099
   57    54 S   CT   _C4_    48     1.42167   117.23083   176.80439
   58    57 S   HC   _H9_    49     1.09427   107.75121  -178.62712
   59    57 S   HC   _H10    50     1.09491   111.10492    63.66212
   60    57 S   HC   _H11    51     1.09506   111.17854   -60.88079
   61    55 S   CT   _C12    55     1.53531   107.77975   178.15729
   62    61 S   HC   _H4_    56     1.09577   110.66458    58.13254
   63    61 S   CT   _C13    57     1.53024   109.63668  -179.26485
   64    63 S   HC   _H5_    58     1.09603   108.30940   -68.52822
   65    61 S   OH   _O39    73     1.43101   109.36949   -58.42493
   66    65 S   HO   _H20    74     0.97298   106.78239  -172.80124
   67    63 S   CT   _C14    59     1.53375   112.06967    51.66792
   68    67 S   HC   _H6_    60     1.09589   109.86904  -172.40808
   69    63 S   OH   _O38    71     1.42556   109.67692   174.66990
   70    69 S   HO   _H19    72     0.97293   107.37389   173.32007
   71    67 S   CT   _C15    61     1.53608   110.24892   -50.50578
   72    71 S   HC   _H7_    62     1.09685   110.34147   -65.09094
   73    67 S   OH   _O37    69     1.42892   110.37903    70.61203
   74    73 S   HO   _H18    70     0.97286   107.29375    45.07972
   75    55 S   OS   _O35    63     1.43541   112.54230    56.99143
   76    71 S   CT   _C16    64     1.52858   112.07601   173.22144
   77    76 S   HC   _H15    65     1.09432   111.02744    50.47131
   78    76 S   HC   _H16    66     1.09482   111.45445   -72.10870
   79    76 S   OH   _O36    67     1.42525   109.10764   169.27206
   80    79 S   HO   _H17    68     0.97320   106.83231   178.45845
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   7   4   3   8   4   2   1   1   7   3
  10   9  10   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    42    52    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    50    52    53    39    40    41    44    45    46  
   38    42    52    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    50    52    53    54    39    40    41    44  
   40    41    44    45    46    42    52  
   41    44    45    46  
   44    45    46  
   43    47    48    49    50    52    53    51  
   47    48    49    52  
   45    46  
   46  
    0  
   48    49    50    52    54    51    55  
   49    50    51  
   50    52    53    54    57    51    55    56    61    75  
   52    53    54    57    58    59    60    51    55  
   55    56    61    62    63    71    75    65    52    54  
   53    54    57  
   54  
   57    58    59    60  
   56    61    62    63    64    67    71    72    75    76    69    65    66  
   61    62    63    71    75    65  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    67    68    71    75    73    69    70    65    66  
   63    64    67    75    69    65    66  
   64    67    68    71    72    75    76    73    74    69    70    65    66  
   67    68    71    73    69    70    65  
   66    67    69    75  
    0  
   68    71    72    75    76    77    78    79    73    74    69    70  
   71    72    75    76    73    74    69  
   70    71    73  
    0  
   72    75    76    77    78    79    80    73    74  
   75    76    77    78    79    73  
   74    75    76  
    0  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   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   268.000  1.529
   38    42   469.000  1.400
   38    52   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    51   450.000  1.364
   50    52   469.000  1.400
   50    54   450.000  1.364
   52    53   367.000  1.080
   54    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    55   320.000  1.380
   55    56   340.000  1.090
   55    61   250.000  1.527
   55    75   320.000  1.380
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   320.000  1.410
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   320.000  1.410
   71    72   340.000  1.090
   71    75   320.000  1.410
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   320.000  1.410
   79    80   553.000  0.945
   73    74   553.000  0.945
   69    70   553.000  0.945
   65    66   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    46   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    52    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    52    50    63.00000  120.00000
   38    52    53    35.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    49    63.00000  120.00000
   47    42    43    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    51    70.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    50    54    70.00000  120.00000
   49    51    55   100.00000  112.36700
   50    52    53    35.00000  120.00000
   50    54    57    75.00000  111.00000
   52    38    42    63.00000  120.00000
   54    50    52    70.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    49    50    70.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    61    90.00000  108.56700
   51    55    75    92.60000  111.55000
   55    61    62    45.00000  108.72000
   55    61    63    75.00000  109.43000
   55    61    65    90.00000  111.58700
   55    75    71    60.00000  109.50000
   61    55    56    45.00000  112.01100
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    69    50.00000  109.50000
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    73    50.00000  109.50000
   63    69    70    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    50.00000  109.50000
   67    71    76    58.35000  112.70000
   67    73    74    55.00000  108.50000
   71    67    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    50.00000  109.50000
   75    55    56    35.00000  109.50000
   75    55    61    90.00000  108.56700
   75    71    72    35.00000  109.50000
   76    71    72    37.50000  110.70000
   76    71    75    50.00000  109.50000
   76    79    80    55.00000  108.50000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   73    67    68    35.00000  109.50000
   73    67    71    50.00000  109.50000
   69    63    64    35.00000  109.50000
   69    63    67    50.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    46    35.00000  115.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    35.00000  123.00000
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    52  -0.16000  1.0 1.0
   29    33    38    52  -0.03200 -1.0 2.0
   29    33    38    52   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    52    50   3.62500 -1.0 2.0
   33    38    52    53   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    46   0.74550  1.0 1.0
   33    39    44    46  -0.00500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    52   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   42    38    52    50   3.62500 -1.0 2.0
   42    38    52    53   3.62500 -1.0 2.0
   42    47   -49    50   3.62500 -1.0 2.0
   42    47    49    51   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   47    49    50    52   3.62500 -1.0 2.0
   47    49    50    54   3.62500 -1.0 2.0
   47    49    51    55   1.63200 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    50   -52    38   3.62500 -1.0 2.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    54    57   1.63200 -1.0 2.0
   49    51    55    56   0.08050  1.0 3.0
   49    51    55    61  -0.32850  1.0 1.0
   49    51    55    61  -0.35800 -1.0 2.0
   49    51    55    61   0.33950  1.0 3.0
   49    51    55    75  -0.25600  1.0 1.0
   49    51    55    75  -0.40050 -1.0 2.0
   49    51    55    75   0.34700  1.0 3.0
   50    49    51    55   1.63200 -1.0 2.0
   50    54    57    58   0.08050  1.0 3.0
   50    54    57    59   0.08050  1.0 3.0
   50    54    57    60   0.08050  1.0 3.0
   52    38    42    43   3.62500 -1.0 2.0
   52    38   -42    47   3.62500 -1.0 2.0
   52    50    54    57   1.63200 -1.0 2.0
   54    50    52    38   3.62500 -1.0 2.0
   54    50    52    53   3.62500 -1.0 2.0
   51    49    50    52   3.62500 -1.0 2.0
   51    49    50    54   3.62500 -1.0 2.0
   51    55    61    62   0.23400  1.0 3.0
   51    55    61    63   0.62750  1.0 1.0
   51    55    61    63  -0.30950 -1.0 2.0
   51    55    61    63   0.27300  1.0 3.0
   51    55    61    65   3.69350  1.0 1.0
   51    55    61    65  -1.82950 -1.0 2.0
   51    55    75    71  -0.81800  1.0 1.0
   55    61    63    64   0.15000  1.0 3.0
   55    61    63    67   3.97050  1.0 1.0
   55    61    63    69   0.86500  1.0 1.0
   55    61    63    69  -0.17500 -1.0 2.0
   55    61    63    69   0.20800  1.0 3.0
   55    61    65    66  -0.11600  1.0 1.0
   55    61    65    66  -0.09450 -1.0 2.0
   55    61    65    66   0.21250  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    65   0.23400  1.0 3.0
   56    55    75    71   0.37050  1.0 3.0
   61    55    75    71   0.06250  1.0 1.0
   61    55    75    71  -0.01100 -1.0 2.0
   61    55    75    71   0.28050  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63   -67    71   0.56750  1.0 1.0
   61    63   -67    71  -0.07550 -1.0 2.0
   61    63   -67    71   0.20000  1.0 3.0
   61    63    67    73   0.86500  1.0 1.0
   61    63    67    73  -0.17500 -1.0 2.0
   61    63    67    73   0.20800  1.0 3.0
   61    63    69    70  -0.11600  1.0 1.0
   61    63    69    70  -0.09450 -1.0 2.0
   61    63    69    70   0.21250  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    69   0.23400  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    75   0.62750  1.0 1.0
   63    67    71    75  -0.30950 -1.0 2.0
   63    67    71    75   0.27300  1.0 3.0
   63    67    71    76   0.56750  1.0 1.0
   63    67    71    76  -0.07550 -1.0 2.0
   63    67    71    76   0.20000  1.0 3.0
   63    67    73    74  -0.11600  1.0 1.0
   63    67    73    74  -0.09450 -1.0 2.0
   63    67    73    74   0.21250  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    73   0.23400  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70  -0.11600  1.0 1.0
   67    63    69    70  -0.09450 -1.0 2.0
   67    63    69    70   0.21250  1.0 3.0
   67    71   -75    55   0.06250  1.0 1.0
   67    71   -75    55  -0.01100 -1.0 2.0
   67    71   -75    55   0.28050  1.0 3.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79   0.86500  1.0 1.0
   67    71    76    79  -0.17500 -1.0 2.0
   67    71    76    79   0.20800  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    71    76   0.15000  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74  -0.11600  1.0 1.0
   71    67    73    74  -0.09450 -1.0 2.0
   71    67    73    74   0.21250  1.0 3.0
   71    76    79    80  -0.11600  1.0 1.0
   71    76    79    80  -0.09450 -1.0 2.0
   71    76    79    80   0.21250  1.0 3.0
   72    71    75    55   0.37050  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.23400  1.0 3.0
   75    55    61    62   0.23400  1.0 3.0
   75    55   -61    63   0.62750  1.0 1.0
   75    55   -61    63  -0.30950 -1.0 2.0
   75    55   -61    63   0.27300  1.0 3.0
   75    55    61    65   3.69350  1.0 1.0
   75    55    61    65  -1.82950 -1.0 2.0
   75    71    76    77   0.23400  1.0 3.0
   75    71    76    78   0.23400  1.0 3.0
   75    71    76    79   3.69350  1.0 1.0
   75    71    76    79  -1.82950 -1.0 2.0
   76    71    75    55   0.06250  1.0 1.0
   76    71    75    55  -0.01100 -1.0 2.0
   76    71    75    55   0.28050  1.0 3.0
   77    76    79    80   0.19450  1.0 3.0
   78    76    79    80   0.19450  1.0 3.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75   3.69350  1.0 1.0
   73    67    71    75  -1.82950 -1.0 2.0
   73    67    71    76   0.86500  1.0 1.0
   73    67    71    76  -0.17500 -1.0 2.0
   73    67    71    76   0.20800  1.0 3.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71   0.86500  1.0 1.0
   69    63    67    71  -0.17500 -1.0 2.0
   69    63    67    71   0.20800  1.0 3.0
   69    63    67    73   3.75450  1.0 1.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   0.86500  1.0 1.0
   65    61    63    67  -0.17500 -1.0 2.0
   65    61    63    67   0.20800  1.0 3.0
   65    61    63    69   3.75450  1.0 1.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    52   0.04150 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   0.00000  1.0 1.0
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
   42    52    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   49    48    47    42   1.10000 -1.0 2.0
   50    51    49    47   4.00000 -1.0 2.0
   52    54    50    49   4.00000 -1.0 2.0
   50    53    52    38   1.10000 -1.0 2.0
   39    46    44    45  10.50000 -1.0 2.0
END
