* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.74052    96.17855   -23.72790
    2     1 S   H    _HN1     2     1.02781   105.28136   -86.28800
    3     1 S   H    _H1_     3     1.02952    73.66901    18.80538
    4     1 S   H    _H2_     4     1.02827    36.55037   174.12160
    5     1 S   CT   _CA1     5     1.50119   137.85629   121.33778
    6     5 S   HC   _HA1     6     1.09573   105.19655    89.64623
    7     5 S   CO3  _C1_     7     1.53798   112.48140   -30.55578
    8     7 S   O2Z  _O11     8     1.26369   115.00223   -41.55316
    9     7 S   O2Z  _O12     9     1.26245   114.95259   137.59906
   10     5 S   CT   _CB1    10     1.53089   107.41559  -152.37899
   11    10 S   HC   HB11    11     1.09829   109.35894   -49.88312
   12    10 S   HC   HB12    12     1.09814   110.43518    66.72201
   13    10 S   CT   _CG1    13     1.52977   112.61791  -170.89938
   14    13 S   HC   HG11    14     1.09588   110.56069   -65.37897
   15    13 S   HC   HG12    15     1.09669   109.84244    53.84307
   16    13 S   C    _CD1    16     1.51802   112.33105   174.25847
   17    16 S   O    _OE1    17     1.22719   123.32864     4.01737
   18    16 S   N    _N2_    18     1.38650   111.58681  -175.97674
   19    18 S   H    _HN2    19     1.01576   118.90669     1.88927
   20    18 S   CT1  _CA2    20     1.46208   123.44263   178.13722
   21    20 S   HC   _HA2    21     1.09735   109.41961     0.45111
   22    20 S   C    _C2_    22     1.53509   108.43408  -115.05360
   23    22 S   O    _O2_    23     1.23047   122.33891  -146.97174
   24    20 S   CT   _CB2    32     1.53388   111.50276   122.54253
   25    24 S   HC   HB21    33     1.09557   109.87324    56.15177
   26    24 S   HC   HB22    34     1.09388   109.86078   175.19915
   27    22 S   N    _N3_    24     1.38348   113.62687    40.41084
   28    27 S   H    _HN3    25     1.01600   119.57607    -3.33812
   29    24 S   S    _SG2    35     1.82685   111.34185   -65.24050
   30    27 S   CT   _CA3    26     1.45288   123.16678   177.10998
   31    30 S   HC   HA31    27     1.09550   107.50440   -64.50859
   32    30 S   HC   HA32    28     1.09557   107.98126    51.91578
   33    29 S   CT   _C25    36     1.85749   100.49374   161.00372
   34    33 S   HC   _H3_    37     1.09638   105.41467   -43.96873
   35    30 S   CO3  _C3_    29     1.52948   114.11223   173.91060
   36    35 S   O2Z  _O31    30     1.26372   116.06940    -0.94087
   37    35 S   O2Z  _O32    31     1.26430   114.40821   179.12352
   38    33 S   CT   _C23    38     1.54984   110.98420  -161.31609
   39    38 S   HC   _H38    39     1.09555   106.19199   169.81468
   40    33 S   CT   _C24    70     1.52928   114.51531    77.47513
   41    40 S   HC   _H39    71     1.09856   109.18031  -179.65622
   42    38 S   CA   _C21    40     1.53805   115.03884   -71.66637
   43    40 S   OH   _O25    72     1.42508   111.64591   -63.29680
   44    43 S   HO   _H43    73     0.97236   107.71260   -59.94933
   45    38 S   OH   _O24    76     1.42774   108.33506    53.72215
   46    45 S   HO   _H42    77     0.97189   108.00500    53.87663
   47    42 S   CA   _C19    41     1.46603   122.47582   157.97168
   48    47 S   CA   _C17    42     1.45284   126.86596    21.28385
   49    47 S   CA   _C18    62     1.42320   116.76016  -158.79299
   50    48 S   CA   _C11    43     1.42174   122.84830    18.30317
   51    50 S   HA   _H34    44     1.08302   120.86979     6.12362
   52    49 S   CA   _C12    63     1.41453   117.95045   -13.94572
   53    52 S   HA   _H35    64     1.08641   121.74118  -174.99606
   54    50 S   CA   _C7_    45     1.39456   124.20825  -176.64865
   55    54 S   HA   _H30    46     1.08551   120.25887   178.94594
   56    52 S   CA   _C13    65     1.38645   123.33105     3.54591
   57    56 S   HA   _H36    66     1.08767   119.11659  -178.52780
   58    54 S   CA   _C6_    47     1.37359   119.13560    -1.62582
   59    58 S   HA   _H29    48     1.08531   120.69735   179.69036
   60    42 S   CA   _C20    67     1.41725   116.40254   -17.97852
   61    58 S   CA   _C9_    49     1.39103   118.83055    -2.70393
   62    61 S   HA   _H32    50     1.08631   115.15093  -176.80825
   63    60 S   CT   _C22    68     1.51749   124.17706   -10.19522
   64    63 S   HC   _H37    69     1.09724   108.95554   122.66383
   65    48 S   CA   _C15    51     1.42351   121.12982  -165.41570
   66    63 S   OH   _O23    74     1.43320   110.16131  -121.20630
   67    66 S   HO   _H41    75     0.97241   108.33733    34.85571
   68    65 S   CA   _C14    52     1.42732   119.89874    -5.72594
   69    68 S   CA   _C8_    53     1.42601   122.71793   178.07797
   70    69 S   HA   _H31    54     1.08641   121.49593    -2.85081
   71    69 S   CA   _C4_    55     1.39259   123.27770   177.11012
   72    71 S   HA   _H27    56     1.08552   120.31912  -179.91844
   73    71 S   CA   _C5_    57     1.37529   119.09574     0.01978
   74    73 S   HA   _H28    58     1.08561   120.55003   179.84051
   75    73 S   CA   _C10    59     1.39376   119.17697     0.48859
   76    75 S   HA   _H33    60     1.08657   114.96967   178.31600
   77    68 S   CA   _C16    61     1.41622   119.43589    -4.11228
  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  10   5   4   3
  15   8   2   1   1  13   6  11   6  15   5   1   3   1  15  14
  13   8   4   8   4   6   3   6   2   5   3   4   5   2   3   2
   6   1   1   8   7   4   6   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    63    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    60    63    64    40    41    43    44    66    45    46  
   38    39    42    63    40    41    43    45  
   36    37  
   37  
    0  
   39    42    47    48    49    56    60    63    40    41    43    45    46  
   42    47    60    40    45    46  
   41    43    44    66    67    45    42    56    60    63    64  
   43    44    66    60    63    64  
   47    48    50    65    77    49    52    56    57    60    63    64    66    45    46  
   44    66    60    63    64  
   63  
   46    47    60  
    0  
   48    50    51    54    61    65    68    75    77    49    52    53    56    60    63  
   50    51    54    55    58    61    62    65    68    69    77    49    52    60  
   52    53    56    57    60    50    65    68    69    73    75    76    77  
   51    54    55    58    59    61    65    68  
   54    55    58    65  
   53    56    57    60    63    68    75    77  
   56    57    60    77  
   55    58    59    61    62    65  
   58    59    61  
   57    60    63    64    66    77  
   60    63  
   59    61    62    65    68  
   61    62    65  
   63    64    66    67  
   62    65    68    69    77  
   65    68  
   64    66    67  
   66    67  
   68    69    70    71    75    77  
   67  
    0  
   69    70    71    72    73    75    76    77  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   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  -0.335000   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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    45   320.000  1.410
   42    47   469.000  1.400
   42    60   469.000  1.400
   47    48   469.000  1.400
   47    49   469.000  1.400
   48    50   469.000  1.400
   48    65   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    68   469.000  1.400
   68    69   469.000  1.400
   68    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    49   469.000  1.400
   49    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    63   317.000  1.510
   63    64   340.000  1.090
   63    40   268.000  1.529
   63    66   320.000  1.410
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   66    67   553.000  0.945
   45    46   553.000  0.945
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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    38    45    50.00000  109.50000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    70.00000  120.00000
   38    42    60    70.00000  120.00000
   38    45    46    55.00000  108.50000
   42    38    39    35.00000  109.50000
   42    47    48    63.00000  120.00000
   42    47    49    63.00000  120.00000
   42    60    56    63.00000  120.00000
   42    60    63    70.00000  120.00000
   47    48    50    63.00000  120.00000
   47    48    65    63.00000  120.00000
   47    49    77    63.00000  120.00000
   47    49    52    63.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    54    63.00000  120.00000
   48    65    61    63.00000  120.00000
   48    65    68    63.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    61    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    65    63.00000  120.00000
   61    58    59    35.00000  120.00000
   61    65    68    63.00000  120.00000
   65    48    50    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    68    69    63.00000  120.00000
   65    68    77    63.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    77    75    63.00000  120.00000
   68    77    49    63.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    49    63.00000  120.00000
   77    68    69    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    49    52    63.00000  120.00000
   49    47    48    63.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    56    63.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    60    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    60    63    70.00000  120.00000
   60    42    47    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    40    70.00000  112.17500
   60    63    66    90.00000  112.51600
   63    40    41    37.50000  110.70000
   63    40    43    50.00000  109.50000
   63    66    67    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   66    63    64    35.00000  109.50000
   66    63    40    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    90.00000  112.51600
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    63   0.44750  1.0 1.0
   29    33    40    63  -0.17800 -1.0 2.0
   29    33    40    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    47   0.04150 -1.0 2.0
   33    38    42    60   0.04150 -1.0 2.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   33    40    43    44  -0.11600  1.0 1.0
   33    40    43    44  -0.09450 -1.0 2.0
   33    40    43    44   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.43200  1.0 3.0
   34    33    38    45   0.23400  1.0 3.0
   34    33    40    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    63   0.56750  1.0 1.0
   38    33    40    63  -0.07550 -1.0 2.0
   38    33    40    63   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.86500  1.0 1.0
   38    33    40    43  -0.17500 -1.0 2.0
   38    33    40    43   0.20800  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   38    42    60    56   3.62500 -1.0 2.0
   38    42   -60    63   3.62500 -1.0 2.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    60   0.00000  1.0 1.0
   39    38    45    46   0.19450  1.0 3.0
   42    38    45    46   0.31900  1.0 1.0
   42    38    45    46  -0.11800 -1.0 2.0
   42    38    45    46   0.38750  1.0 3.0
   42    47    48    50   3.62500 -1.0 2.0
   42    47    48    65   3.62500 -1.0 2.0
   42    47    49    77   3.62500 -1.0 2.0
   42    47    49    52   3.62500 -1.0 2.0
   42    60    63    64   0.00000  1.0 1.0
   42    60    63    40   0.04150 -1.0 2.0
   42    60    63    66   0.14300 -1.0 2.0
   42    60    63    66   0.00300  1.0 3.0
   47    42    60    56   3.62500 -1.0 2.0
   47    42    60    63   3.62500 -1.0 2.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    54   3.62500 -1.0 2.0
   47    48    65    61   3.62500 -1.0 2.0
   47    48    65    68   3.62500 -1.0 2.0
   47    49    52    53   3.62500 -1.0 2.0
   47    49   -52    56   3.62500 -1.0 2.0
   48    47    49    77   3.62500 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   48    50    54    55   3.62500 -1.0 2.0
   48    50    54    58   3.62500 -1.0 2.0
   48    65    68    69   3.62500 -1.0 2.0
   48    65   -68    77   3.62500 -1.0 2.0
   50    48    65    61   3.62500 -1.0 2.0
   50    48    65    68   3.62500 -1.0 2.0
   50    54    58    59   3.62500 -1.0 2.0
   50    54   -58    61   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    58    61    62   3.62500 -1.0 2.0
   54    58    61    65   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   58    61   -65    48   3.62500 -1.0 2.0
   58    61    65    68   3.62500 -1.0 2.0
   59    58    61    62   3.62500 -1.0 2.0
   59    58    61    65   3.62500 -1.0 2.0
   61    65    68    69   3.62500 -1.0 2.0
   61    65    68    77   3.62500 -1.0 2.0
   62    61    65    48   3.62500 -1.0 2.0
   62    61    65    68   3.62500 -1.0 2.0
   65    48    50    51   3.62500 -1.0 2.0
   65    48   -50    54   3.62500 -1.0 2.0
   65    68    69    70   3.62500 -1.0 2.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    77    75   3.62500 -1.0 2.0
   65    68    77    49   3.62500 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   68    77   -49    47   3.62500 -1.0 2.0
   68    77    49    52   3.62500 -1.0 2.0
   69    68    77    75   3.62500 -1.0 2.0
   69    68    77    49   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    68   3.62500 -1.0 2.0
   73    75    77    49   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    49    47   3.62500 -1.0 2.0
   75    77    49    52   3.62500 -1.0 2.0
   76    75    77    68   3.62500 -1.0 2.0
   76    75    77    49   3.62500 -1.0 2.0
   77    68    69    70   3.62500 -1.0 2.0
   77    68   -69    71   3.62500 -1.0 2.0
   77    49    52    53   3.62500 -1.0 2.0
   77    49    52    56   3.62500 -1.0 2.0
   49    47    48    50   3.62500 -1.0 2.0
   49    47   -48    65   3.62500 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52    56    60   3.62500 -1.0 2.0
   52    56   -60    42   3.62500 -1.0 2.0
   52    56    60    63   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    60   3.62500 -1.0 2.0
   56    60    63    64   0.00000  1.0 1.0
   56    60    63    40   0.04150 -1.0 2.0
   56    60    63    66   0.14300 -1.0 2.0
   56    60    63    66   0.00300  1.0 3.0
   57    56    60    42   3.62500 -1.0 2.0
   57    56    60    63   3.62500 -1.0 2.0
   60    42    47    48   3.62500 -1.0 2.0
   60    42   -47    49   3.62500 -1.0 2.0
   60    63   -40    33  -0.03700  1.0 1.0
   60    63   -40    33   0.37200 -1.0 2.0
   60    63   -40    33  -0.47300  1.0 3.0
   60    63    40    41   0.43200  1.0 3.0
   60    63    40    43   1.13150  1.0 1.0
   60    63    40    43  -1.01400 -1.0 2.0
   60    63    66    67   0.31900  1.0 1.0
   60    63    66    67  -0.11800 -1.0 2.0
   60    63    66    67   0.38750  1.0 3.0
   63    40    43    44  -0.11600  1.0 1.0
   63    40    43    44  -0.09450 -1.0 2.0
   63    40    43    44   0.21250  1.0 3.0
   64    63    40    33   0.15000  1.0 3.0
   64    63    40    41   0.15000  1.0 3.0
   64    63    40    43   0.23400  1.0 3.0
   64    63    66    67   0.19450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.03700  1.0 1.0
   40    33   -38    42   0.37200 -1.0 2.0
   40    33   -38    42  -0.47300  1.0 3.0
   40    33    38    45   0.86500  1.0 1.0
   40    33    38    45  -0.17500 -1.0 2.0
   40    33    38    45   0.20800  1.0 3.0
   40    63    66    67  -0.11600  1.0 1.0
   40    63    66    67  -0.09450 -1.0 2.0
   40    63    66    67   0.21250  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   66    63    40    33   0.86500  1.0 1.0
   66    63    40    33  -0.17500 -1.0 2.0
   66    63    40    33   0.20800  1.0 3.0
   66    63    40    41   0.23400  1.0 3.0
   66    63    40    43   3.75450  1.0 1.0
   45    38    42    47   0.14300 -1.0 2.0
   45    38    42    47   0.00300  1.0 3.0
   45    38    42    60   0.14300 -1.0 2.0
   45    38    42    60   0.00300  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
   47    60    42    38   4.00000 -1.0 2.0
   48    49    47    42   4.00000 -1.0 2.0
   50    65    48    47   4.00000 -1.0 2.0
   54    51    50    48   1.10000 -1.0 2.0
   58    55    54    50   1.10000 -1.0 2.0
   61    59    58    54   1.10000 -1.0 2.0
   65    62    61    58   1.10000 -1.0 2.0
   61    68    65    48   4.00000 -1.0 2.0
   69    77    68    65   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    49    77    68   4.00000 -1.0 2.0
   77    52    49    47   4.00000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   56    63    60    42   4.00000 -1.0 2.0
END
