* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    232     419
    1     0 S   NP   _N1_     1    28.81222    95.49654   -25.20655
    2     1 S   H    _HN1     2     1.02828    30.84928  -175.76307
    3     1 S   H    _H1_     3     1.02795   117.75016   -97.56365
    4     1 S   H    _H2_     4     1.02947    76.27387     6.19967
    5     1 S   CT   _CA1     5     1.50127   124.16550   111.77769
    6     5 S   HC   _HA1     6     1.09573   105.16953    90.76467
    7     5 S   CO3  _C1_     7     1.53767   112.41672   -29.45647
    8     7 S   O2Z  _O11     8     1.26378   115.00544   -43.64819
    9     7 S   O2Z  _O12     9     1.26231   114.93820   135.33784
   10     5 S   CT   _CB1    10     1.53055   107.40369  -151.28157
   11    10 S   HC   HB11    11     1.09843   109.33856   -49.44386
   12    10 S   HC   HB12    12     1.09809   110.48069    67.14701
   13    10 S   CT   _CG1    13     1.53023   112.63532  -170.37051
   14    13 S   HC   HG11    14     1.09572   110.72903   -66.98184
   15    13 S   HC   HG12    15     1.09668   109.71010    52.27456
   16    13 S   C    _CD1    16     1.51812   111.96790   172.76362
   17    16 S   O    _OE1    17     1.22764   123.15642    12.02561
   18    16 S   N    _N2_    18     1.38628   111.84567  -167.93554
   19    18 S   H    _HN2    19     1.01573   119.08974     0.81517
   20    18 S   CT1  _CA2    20     1.46268   123.42138   177.16869
   21    20 S   HC   _HA2    21     1.09743   109.17914     9.16041
   22    20 S   C    _C2_    22     1.53740   109.18508  -106.40023
   23    22 S   O    _O2_    23     1.23098   122.21365  -151.16005
   24    20 S   CT   _CB2    32     1.53459   111.55516   131.05103
   25    24 S   HC   HB21    33     1.09506   109.59132    57.64320
   26    24 S   HC   HB22    34     1.09440   109.64821   176.53525
   27    22 S   N    _N3_    24     1.38305   114.01616    36.40957
   28    27 S   H    _HN3    25     1.01523   119.63301    -3.34439
   29    24 S   S    _SG2    35     1.83241   111.05470   -64.01938
   30    27 S   CT   _CA3    26     1.45277   123.27772   177.17673
   31    30 S   HC   HA31    27     1.09548   107.52681   -64.55754
   32    30 S   HC   HA32    28     1.09557   107.98174    51.89822
   33    29 S   CT   _C20    36     1.85504   102.05294   170.79337
   34    33 S   OM   _O39    37     1.31706   111.26931   -63.03499
   35    30 S   CO3  _C3_    29     1.52972   114.05051   173.90410
   36    35 S   O2Z  _O31    30     1.26384   116.09656     0.10087
   37    35 S   O2Z  _O32    31     1.26427   114.41281  -179.85196
   38    33 S   CM   _C21    38     1.52545   108.77858   175.83059
   39    33 S   CO4  _C19    71     1.53197   107.83578    56.04547
   40    39 S   O    _O36    72     1.23550   123.10126   -91.93762
   41    38 S   CMA  _C22    39     1.36763   127.53925  -115.52440
   42    41 S   OM   _O37    40     1.27366   128.11331  -176.33574
   43    38 S   C    _C23    73     1.51363   116.91090    64.62955
   44    43 S   O    _O38    74     1.22685   123.02777    73.08308
   45    41 S   CT   _C16    41     1.58425   118.34846     2.87208
   46    45 S   OM   _O40    42     1.33130   112.08350   142.90633
   47    43 S   N    _N4_    75     1.37658   113.10205  -106.39454
   48    47 S   H    _H13    76     1.01412   121.50845    -2.27357
   49    47 S   H    _H14    77     1.01220   120.63882  -179.86294
   50    45 S   CO4  _C15    43     1.54618   110.71376   -98.47838
   51    50 S   O    _O35    44     1.23222   122.15396   -21.97389
   52    50 S   CA   _C7_    45     1.51143   119.78327   158.69678
   53    52 S   CA   _C6_    46     1.39803   120.51778    -9.51254
   54    53 S   CA   _C5_    47     1.42901   119.57225   177.99553
   55    53 S   CT   _C18    66     1.51651   120.53096    -0.48658
   56    55 S   HC   _H11    67     1.09788   107.91313   103.69023
   57    55 S   HC   _H12    68     1.09751   109.58850  -140.09876
   58    54 S   CA   _C10    48     1.45191   121.86156     7.87437
   59    54 S   CT   _C4_    62     1.51797   117.41393  -170.76718
   60    59 S   HC   _H4_    63     1.09352   110.56895   -99.04835
   61    59 S   HC   _H5_    64     1.09324   113.08494    21.93769
   62    59 S   HC   _H6_    65     1.09382   110.60927   136.84428
   63    45 S   CT   _C17    69     1.54068   111.67124    22.27084
   64    63 S   HC   _H3_    70     1.10165   110.89409    64.79235
   65    58 S   CA   _C9_    49     1.42841   117.08549    -9.59755
   66    65 S   CA   _C14    50     1.43068   118.64773  -175.12955
   67    52 S   CA   _C8_    59     1.40865   120.69380   169.95958
   68    66 S   CA   _C13    51     1.39048   123.06388    -1.96652
   69    68 S   HA   _H8_    52     1.08588   121.46220  -179.80218
   70    66 S   OH   _O33    57     1.37630   120.49780   178.15921
   71    70 S   HO   _H9_    58     0.97140   109.70469   179.79633
   72    67 S   OH   _O34    60     1.37958   119.94159    -1.99459
   73    72 S   HO   _H10    61     0.97274   109.78918     1.69558
   74    68 S   CA   _C12    53     1.37591   118.99368    -1.52329
   75    74 S   HA   _H7_    54     1.08776   118.80272  -177.24914
   76    58 S   CA   _C11    55     1.44518   126.83489   170.38109
   77    76 S   Cl   Cl1_    56     1.74028   124.38012    -9.47218
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  13  12   4  12   5   5   3  11   6   2   1
   1  10   4  13  15  15   7   3   2  14   5   2   1   1   1   1
  11   9   5   7   4   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    63    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    55    63    64    39    40    43    44    47  
   38    41    63    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    50    63    39    40    43    44    47    48    49  
   40    43    41    45    46    50    53    55    56    57    63    64  
   45    55    63    64  
   42    45    46    50    51    52    55    63    64    43    44    47  
   45    46    50    63    43  
   44    47    48    49    45  
   47    48    49  
   46    50    51    52    53    67    55    56    57    63    64  
   50    51    52    55    63    64  
   48    49  
   49  
    0  
   51    52    53    54    65    67    72    55    63    64  
   52    53    67    63  
   53    54    58    65    66    67    72    73    59    55    56    57    63  
   54    58    65    76    67    72    59    60    61    62    55    56    57    63    64  
   58    65    66    74    76    77    67    59    60    61    62    55    56    57    63  
   56    57    63    64    58    59    67  
   57    63    64  
   63    64  
   65    66    68    74    75    76    77    70    67    72    59    60    61    62  
   60    61    62    65    76  
   61    62  
   62  
    0  
   64  
    0  
   66    68    69    74    76    77    70    71    67    72    73  
   68    69    74    75    76    70    71    67    72  
   72    73    68    70    76  
   69    74    75    76    77    70    71  
   74    75    76    70  
   71    74  
    0  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   47   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    46   570.000  1.307
   45    50   317.000  1.522
   45    63   268.000  1.529
   50    51   570.000  1.229
   50    52   310.000  1.470
   52    53   469.000  1.400
   52    67   469.000  1.400
   53    54   469.000  1.400
   53    55   317.000  1.510
   54    58   469.000  1.400
   54    59   317.000  1.510
   58    65   469.000  1.400
   58    76   469.000  1.400
   65    66   469.000  1.400
   65    67   469.000  1.400
   66    68   469.000  1.400
   66    70   450.000  1.364
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   300.000  1.725
   70    71   553.000  0.945
   67    72   450.000  1.364
   72    73   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    39   317.000  1.522
   39    40   570.000  1.229
   43    44   570.000  1.229
   43    47   490.000  1.335
   47    48   434.000  1.010
   47    49   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    63    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    47    80.00000  111.56200
   41    45    46    85.00000  110.90400
   41    45    50    70.00000  109.06800
   41    45    63    70.00000  112.02700
   45    41    42    85.00000  112.85300
   45    50    51    80.00000  120.40000
   45    50    52    65.00000  115.47100
   45    63    55    58.35000  112.70000
   45    63    64    37.50000  110.70000
   45    63    39    63.00000  111.10000
   50    45    46    90.00000  108.74100
   50    52    53    60.00000  119.52600
   50    52    67    60.00000  119.52600
   52    50    51    75.00000  123.78400
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.00000
   52    67    65    63.00000  120.00000
   52    67    72    70.00000  120.00000
   53    54    58    63.00000  120.00000
   53    54    59    70.00000  120.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    63    70.00000  112.17500
   54    58    65    63.00000  120.00000
   54    58    76    63.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   58    65    66    63.00000  120.00000
   58    65    67    63.00000  120.00000
   58    76    74    63.00000  120.00000
   58    76    77    75.00000  120.00000
   65    66    68    63.00000  120.00000
   65    66    70    70.00000  120.00000
   65    67    72    70.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    74    63.00000  120.00000
   66    70    71    35.00000  113.00000
   68    74    75    35.00000  120.00000
   68    74    76    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    76    77    75.00000  120.00000
   76    58    65    63.00000  120.00000
   76    74    75    35.00000  120.00000
   70    66    68    70.00000  120.00000
   67    52    53    63.00000  120.00000
   67    65    66    63.00000  120.00000
   67    72    73    35.00000  113.00000
   59    54    58    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    53    54    70.00000  120.00000
   55    63    64    37.50000  110.70000
   55    63    39    63.00000  111.10000
   57    55    56    33.00000  107.80000
   63    45    46    50.00000  109.50000
   63    45    50    63.00000  111.10000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    63    64    35.00000  109.50000
   43    38    41    60.00000  120.04000
   43    47    48    35.00000  119.80000
   43    47    49    35.00000  119.80000
   47    43    44    80.00000  122.90000
   49    47    48    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    63   0.65300  1.0 1.0
   29    33    39    63  -0.03850 -1.0 2.0
   29    33    39    63   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    47   1.59650  1.0 1.0
   33    38    43    47   0.42750 -1.0 2.0
   33    38    43    47  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    63   0.55300  1.0 1.0
   34    33    39    63   1.25850 -1.0 2.0
   34    33    39    63  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    63   0.65300  1.0 1.0
   38    33    39    63  -0.03850 -1.0 2.0
   38    33    39    63   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    46   0.39000  1.0 1.0
   38    41    45    46  -0.05800 -1.0 2.0
   38    41    45    46  -0.55150  1.0 3.0
   38    41    45    50  -0.51250  1.0 1.0
   38    41    45    50  -0.88800 -1.0 2.0
   38    41    45    50   0.08850  1.0 3.0
   38    41   -45    63   0.09850  1.0 1.0
   38    41   -45    63   0.15250 -1.0 2.0
   38    41   -45    63  -0.50650  1.0 3.0
   38    43    47    48   2.56700 -1.0 2.0
   38    43    47    49   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    47   0.49500  1.0 1.0
   41    38    43    47   1.31600 -1.0 2.0
   41    38    43    47  -0.02300  1.0 3.0
   41    45    50    51   0.30150 -1.0 2.0
   41    45    50    52   0.65300  1.0 1.0
   41    45    50    52  -0.03850 -1.0 2.0
   41    45    50    52   0.33900  1.0 3.0
   41    45    63    55   0.34400  1.0 1.0
   41    45    63    55   0.09450 -1.0 2.0
   41    45    63    55   0.11100  1.0 3.0
   41    45    63    64   0.15000  1.0 3.0
   41    45    63    39  -0.98800  1.0 1.0
   41    45    63    39   0.48800 -1.0 2.0
   41    45    63    39   0.76800  1.0 3.0
   42    41    45    46   0.09700  1.0 1.0
   42    41    45    46   0.15600 -1.0 2.0
   42    41    45    46  -0.50800  1.0 3.0
   42    41    45    50   0.09700  1.0 1.0
   42    41    45    50   0.15600 -1.0 2.0
   42    41    45    50  -0.50800  1.0 3.0
   42    41    45    63   0.09700  1.0 1.0
   42    41    45    63   0.15600 -1.0 2.0
   42    41    45    63  -0.50800  1.0 3.0
   45    50    52    53   2.26350  1.0 1.0
   45    50    52    53   0.76750 -1.0 2.0
   45    50    52    53   0.22500  1.0 3.0
   45    50    52    67   2.26350  1.0 1.0
   45    50    52    67   0.76750 -1.0 2.0
   45    50    52    67   0.22500  1.0 3.0
   45    63   -39    33   0.60050  1.0 1.0
   45    63   -39    33   0.05600 -1.0 2.0
   45    63   -39    33   0.26150  1.0 3.0
   45    63    39    40   0.30150 -1.0 2.0
   46    45    50    51   0.30150 -1.0 2.0
   46    45    50    52   0.65300  1.0 1.0
   46    45    50    52  -0.03850 -1.0 2.0
   46    45    50    52   0.33900  1.0 3.0
   46    45    63    55   0.62750  1.0 1.0
   46    45    63    55  -0.30950 -1.0 2.0
   46    45    63    55   0.27300  1.0 3.0
   46    45    63    64   0.23400  1.0 3.0
   46    45    63    39  -0.09450  1.0 1.0
   46    45    63    39  -1.12950 -1.0 2.0
   46    45    63    39   0.54000  1.0 3.0
   50    45    63    55  -0.95700  1.0 1.0
   50    45    63    55  -0.18200 -1.0 2.0
   50    45    63    55   0.29450  1.0 3.0
   50    45    63    64  -0.11250  1.0 3.0
   50    45    63    39   0.11950  1.0 1.0
   50    45    63    39   0.20300 -1.0 2.0
   50    45    63    39  -0.70800  1.0 3.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    55   3.62500 -1.0 2.0
   50    52    67    65   3.62500 -1.0 2.0
   50    52    67    72   3.62500 -1.0 2.0
   51    50    52    53   1.05000 -1.0 2.0
   51    50    52    67   1.05000 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    54    59   3.62500 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    57   0.00000  1.0 1.0
   52    53    55    63   0.04150 -1.0 2.0
   52    67    72    73   0.84100 -1.0 2.0
   53    52    67    65   3.62500 -1.0 2.0
   53    52    67    72   3.62500 -1.0 2.0
   53    54   -58    65   3.62500 -1.0 2.0
   53    54    58    76   3.62500 -1.0 2.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    62   0.00000  1.0 1.0
   53    55   -63    45  -0.03700  1.0 1.0
   53    55   -63    45   0.37200 -1.0 2.0
   53    55   -63    45  -0.47300  1.0 3.0
   53    55    63    64   0.43200  1.0 3.0
   53    55    63    39   0.56750  1.0 1.0
   53    55    63    39  -0.07550 -1.0 2.0
   53    55    63    39   0.20000  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    63   0.04150 -1.0 2.0
   54    58    65    66   3.62500 -1.0 2.0
   54    58    65    67   3.62500 -1.0 2.0
   54    58    76    74   3.62500 -1.0 2.0
   54    58    76    77   3.62500 -1.0 2.0
   58    54    59    60   0.00000  1.0 1.0
   58    54    59    61   0.00000  1.0 1.0
   58    54    59    62   0.00000  1.0 1.0
   58    65    66    68   3.62500 -1.0 2.0
   58    65    66    70   3.62500 -1.0 2.0
   58    65   -67    52   3.62500 -1.0 2.0
   58    65    67    72   3.62500 -1.0 2.0
   65    58    76    74   3.62500 -1.0 2.0
   65    58    76    77   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66   -68    74   3.62500 -1.0 2.0
   65    66    70    71   0.84100 -1.0 2.0
   65    67    72    73   0.84100 -1.0 2.0
   66    65    67    52   3.62500 -1.0 2.0
   66    65    67    72   3.62500 -1.0 2.0
   66    68    74    75   3.62500 -1.0 2.0
   66    68    74    76   3.62500 -1.0 2.0
   68    66    70    71   0.84100 -1.0 2.0
   68    74   -76    58   3.62500 -1.0 2.0
   68    74    76    77   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    76   3.62500 -1.0 2.0
   75    74    76    58   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    58   -65    66   3.62500 -1.0 2.0
   76    58    65    67   3.62500 -1.0 2.0
   70    66    68    69   3.62500 -1.0 2.0
   70    66    68    74   3.62500 -1.0 2.0
   67    52   -53    54   3.62500 -1.0 2.0
   67    52    53    55   3.62500 -1.0 2.0
   67    65    66    68   3.62500 -1.0 2.0
   67    65    66    70   3.62500 -1.0 2.0
   59    54    58    65   3.62500 -1.0 2.0
   59    54    58    76   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   55    63    39    33   0.60050  1.0 1.0
   55    63    39    33   0.05600 -1.0 2.0
   55    63    39    33   0.26150  1.0 3.0
   55    63    39    40   0.30150 -1.0 2.0
   56    55    63    45   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    39  -0.11250  1.0 3.0
   57    55    63    45   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    39  -0.11250  1.0 3.0
   63    45    50    51   0.30150 -1.0 2.0
   63    45   -50    52   0.05850 -1.0 2.0
   63    45   -50    52   0.17250  1.0 3.0
   64    63    39    33   0.00000  1.0 1.0
   64    63    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    47    48   2.45000 -1.0 2.0
   44    43    47    49   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    52    50    51  10.50000 -1.0 2.0
   53    67    52    50   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   58    59    54    53   4.00000 -1.0 2.0
   65    76    58    54   4.00000 -1.0 2.0
   66    67    65    58   4.00000 -1.0 2.0
   68    70    66    65   4.00000 -1.0 2.0
   74    69    68    66   1.10000 -1.0 2.0
   76    75    74    68   1.10000 -1.0 2.0
   74    77    76    58   4.00000 -1.0 2.0
   65    72    67    52   4.00000 -1.0 2.0
   33    63    39    40  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
   49    43    47    48   1.00000 -1.0 2.0
END
