* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    155    251     457
    1     0 S   NP   _N1_     1    28.80790    95.23980   -19.85266
    2     1 S   H    _HN1     2     1.02792    77.28633   -86.17303
    3     1 S   H    _H1_     3     1.02940    94.24828    21.52842
    4     1 S   H    _H2_     4     1.02851    39.43157   133.72812
    5     1 S   CT   _CA1     5     1.50136   147.63736   162.51963
    6     5 S   HC   _HA1     6     1.09589   105.24247    40.89854
    7     5 S   CO3  _C1_     7     1.53968   111.71818   -78.99594
    8     7 S   O2Z  _O11     8     1.26419   115.24077   -60.05079
    9     7 S   O2Z  _O12     9     1.26230   114.79096   118.70927
   10     5 S   CT   _CB1    10     1.53073   107.32778   158.37438
   11    10 S   HC   HB11    11     1.09829   109.64053   -50.16202
   12    10 S   HC   HB12    12     1.09807   110.35122    66.30912
   13    10 S   CT   _CG1    13     1.53055   112.55810  -171.12852
   14    13 S   HC   HG11    14     1.09548   110.52324   -54.29786
   15    13 S   HC   HG12    15     1.09611   110.16613    64.70459
   16    13 S   C    _CD1    16     1.51839   111.71295  -175.22841
   17    16 S   O    _OE1    17     1.22781   122.99868   -16.24323
   18    16 S   N    _N2_    18     1.38551   111.96690   164.55144
   19    18 S   H    _HN2    19     1.01583   119.13760     1.43463
   20    18 S   CT1  _CA2    20     1.46208   123.31369  -176.36191
   21    20 S   HC   _HA2    21     1.09725   109.35894    -9.16915
   22    20 S   C    _C2_    22     1.53379   108.75177  -125.04385
   23    22 S   O    _O2_    23     1.23036   122.16996  -147.61369
   24    20 S   CT   _CB2    32     1.53456   111.27810   112.58133
   25    24 S   HC   HB21    33     1.09516   109.84931    59.29415
   26    24 S   HC   HB22    34     1.09531   110.53457   177.25705
   27    22 S   N    _N3_    24     1.38497   113.48967    39.90818
   28    27 S   H    _HN3    25     1.01519   118.87180    -0.78160
   29    24 S   S    _SG2    35     1.83042   111.72959   -63.62180
   30    27 S   CT   _CA3    26     1.45427   123.42255   175.20940
   31    30 S   HC   HA31    27     1.09526   109.21183    25.26267
   32    30 S   HC   HA32    28     1.09497   107.14250   142.23181
   33    29 S   CT   _C20    36     1.88074    99.89736   141.43315
   34    33 S   HC   _H7_    37     1.09875   105.17845    39.60512
   35    30 S   CO3  _C3_    29     1.52906   113.07713   -98.20754
   36    35 S   O2Z  _O31    30     1.26404   115.37106   -46.40385
   37    35 S   O2Z  _O32    31     1.26351   115.01451   134.54274
   38    33 S   CT   _C19    38     1.57999   107.06073   -77.33557
   39    38 S   OM   _O36    39     1.32471   108.58667   157.75976
   40    38 S   HC   _H6_    40     1.09977   106.68177    32.50973
   41    38 S   CT   _C18    41     1.55679   113.36167   -81.72900
   42    41 S   HC   _H5_    42     1.09918   110.24186  -168.11975
   43    41 S   CT   _C17    43     1.52659   114.38018   -44.56379
   44    43 S   HC   _H20    44     1.09555   109.16098   -72.94530
   45    43 S   HC   _H21    45     1.09782   109.66147   171.17846
   46    41 S   OH   _O37    77     1.43135   109.02724    76.14532
   47    46 S   HO   _H22    78     0.97551   107.35495   161.14145
   48    43 S   CT   _C16    46     1.53144   111.36186    51.24608
   49    48 S   HC   _H4_    47     1.09783   109.57856    73.14923
   50    33 S   CT   _C12    48     1.57434   109.89846   155.84251
   51    48 S   NP   _N4_    59     1.51682   109.11382  -168.68593
   52    51 S   H    _H3_    60     1.02871   111.25254   -39.89952
   53    50 S   CA   _C7_    49     1.56075   115.43659   -47.73611
   54    51 S   CT   _C14    61     1.52670   105.70735    79.97470
   55    54 S   HC   _H16    62     1.09437   107.19615   -98.81665
   56    54 S   HC   _H17    63     1.09427   109.27057   142.49301
   57    53 S   CA   _C8_    50     1.40259   121.50924   -33.90116
   58    57 S   HA   _H11    51     1.08434   122.04270     0.17132
   59    50 S   CT   _C13    64     1.55348   115.43746  -168.68394
   60    59 S   HC   _H14    65     1.09664   113.20839    85.24712
   61    59 S   HC   _H15    66     1.09107   113.56583   -35.41546
   62    57 S   CA   _C9_    52     1.38023   118.49443  -179.96574
   63    62 S   CA   _C10    53     1.37896   122.67929     1.38140
   64    63 S   CA   _C5_    54     1.38416   121.27318     1.23083
   65    63 S   OS   _O34    72     1.36286   111.02461  -179.90109
   66    53 S   CA   _C6_    55     1.43147   119.64151   150.70123
   67    64 S   OS   _O33    67     1.36658   127.24795   178.56960
   68    65 S   CO   _C11    73     1.43824   102.02109     0.20748
   69    68 S   HC   _H12    74     1.09597   108.70629  -121.48847
   70    68 S   HC   _H13    75     1.09604   108.73494   120.36444
   71    66 S   CT   _C15    56     1.51526   119.03291     2.51279
   72    71 S   HC   _H18    57     1.09551   111.51205   129.89326
   73    71 S   HC   _H19    58     1.09588   110.41568  -108.64638
   74    67 S   CT   _C4_    68     1.42042   118.35051     3.27261
   75    74 S   HC   _H8_    69     1.09448   107.61946   177.82669
   76    74 S   HC   _H9_    70     1.09463   111.29064    60.41098
   77    74 S   HC   _H10    71     1.09445   111.12160   -64.86991
   78    62 S   OS   _O35    76     1.36293   124.42119  -178.78921
  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
  19   8   2   1   1  13   6   5  10   6  13   6   5   2   1  16
   7  15  13   8  15   9   5   4  10   4   4   1   1   9  10  12
   6   5   5   3   2   1   2   1   1   3   2   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    50    53    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    53    57    66    51    54    59    60    61    46  
   38    39    40    41    48    50    53    59  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    50    53    59    46    47  
   40    41    42    43    50    46  
   41    42    43    50    46  
   42    43    44    45    48    49    50    51    46    47  
   43    44    45    48    46    47  
   44    45    48    49    50    53    71    51    52    54    59    46    47  
   45    48    49    50    51    46  
   48    49    50    51    46  
   47    48  
    0  
   49    50    53    57    66    71    72    73    51    52    54    55    56    59    60    61  
   50    53    71    51    52    54    59  
   53    57    58    62    64    66    71    51    52    54    55    56    59    60    61  
   52    54    55    56    59    60    61    53    64    66    71    72    73  
   54    55    56    59    66    71    72    73  
   57    58    62    63    64    66    71    72    73    54    59    60    61    67    78  
   55    56    59    60    61    66    71    72    73  
   56    59    60    61    71  
   59    60    61    71  
   58    62    63    64    66    71    59    65    68    78  
   62    63    66    78  
   60    61    66    71  
   61  
    0  
   63    64    66    67    65    68    69    70    78  
   64    66    71    67    74    65    68    69    70    78  
   66    71    72    73    67    74    75    76    77    65    68    78  
   68    69    70    78    66    67  
   71    72    73    67    74  
   74    75    76    77    71  
   69    70    78  
   70    78  
   78  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
    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   1.6450   1.4500   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   52   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    50   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   367.000  1.471
   50    53   317.000  1.510
   50    59   268.000  1.529
   53    57   469.000  1.400
   53    66   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    78   450.000  1.364
   63    64   469.000  1.400
   63    65   450.000  1.364
   64    66   469.000  1.400
   64    67   450.000  1.364
   66    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    51   367.000  1.471
   51    52   434.000  1.010
   51    54   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   67    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    68   320.000  1.380
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    78   320.000  1.380
   46    47   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    50    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    50    48    58.35000  112.70000
   33    50    53    70.00000  112.17500
   33    50    59    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    58.35000  112.70000
   43    48    51    80.00000  111.20000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    50    53    70.00000  112.17500
   48    50    59    58.35000  112.70000
   48    51    71    75.00000  113.01200
   48    51    52    35.00000  109.50000
   48    51    54    75.00000  113.01200
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    53    57    70.00000  120.00000
   50    53    66    70.00000  120.00000
   50    59    54    58.35000  112.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   53    66    64    63.00000  120.00000
   53    66    71    70.00000  120.00000
   57    62    63    63.00000  120.00000
   57    62    78    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    78    68   100.00000  112.36700
   63    64    66    63.00000  120.00000
   63    64    67    70.00000  120.00000
   63    65    68   100.00000  112.36700
   64    66    71    70.00000  120.00000
   64    67    74    75.00000  111.00000
   66    53    57    63.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    51    75.00000  110.83300
   71    51    52    35.00000  109.50000
   71    51    54    75.00000  113.01200
   73    71    72    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    80.00000  111.20000
   51    71    72    35.00000  109.50000
   51    71    73    35.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    59    80.00000  111.20000
   54    51    52    35.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    50    53    70.00000  112.17500
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   67    64    66    70.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    78    92.60000  111.55000
   70    68    69    33.00000  109.50000
   78    62    63    70.00000  120.00000
   78    68    69    35.00000  109.50000
   78    68    70    35.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    50    59   0.44750  1.0 1.0
   29    33    50    59  -0.17800 -1.0 2.0
   29    33    50    59   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.86500  1.0 1.0
   33    38    41    46  -0.17500 -1.0 2.0
   33    38    41    46   0.20800  1.0 3.0
   33    50    53    57   0.04150 -1.0 2.0
   33    50    53    66   0.04150 -1.0 2.0
   33    50    59    54   0.56750  1.0 1.0
   33    50    59    54  -0.07550 -1.0 2.0
   33    50    59    54   0.20000  1.0 3.0
   33    50    59    60   0.15000  1.0 3.0
   33    50    59    61   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    53   0.43200  1.0 3.0
   34    33    50    59   0.15000  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    53  -0.03700  1.0 1.0
   38    33    50    53   0.37200 -1.0 2.0
   38    33    50    53  -0.47300  1.0 3.0
   38    33    50    59   0.56750  1.0 1.0
   38    33    50    59  -0.07550 -1.0 2.0
   38    33    50    59   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48   0.56750  1.0 1.0
   38    41   -43    48  -0.07550 -1.0 2.0
   38    41   -43    48   0.20000  1.0 3.0
   38    41    46    47  -0.11600  1.0 1.0
   38    41    46    47  -0.09450 -1.0 2.0
   38    41    46    47   0.21250  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   3.69350  1.0 1.0
   39    38    41    46  -1.82950 -1.0 2.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.56750  1.0 1.0
   41    43    48    50  -0.07550 -1.0 2.0
   41    43    48    50   0.20000  1.0 3.0
   41    43    48    51   1.36600  1.0 1.0
   41    43    48    51  -0.11450 -1.0 2.0
   41    43    48    51   0.24250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48   -50    33   0.56750  1.0 1.0
   43    48   -50    33  -0.07550 -1.0 2.0
   43    48   -50    33   0.20000  1.0 3.0
   43    48    50    53  -0.03700  1.0 1.0
   43    48    50    53   0.37200 -1.0 2.0
   43    48    50    53  -0.47300  1.0 3.0
   43    48    50    59   0.56750  1.0 1.0
   43    48    50    59  -0.07550 -1.0 2.0
   43    48    50    59   0.20000  1.0 3.0
   43    48    51    71   0.47100  1.0 1.0
   43    48    51    52   0.17350  1.0 3.0
   43    48    51    54   0.47100  1.0 1.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.19200  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    51   0.19200  1.0 3.0
   48    50    53    57   0.04150 -1.0 2.0
   48    50    53    66   0.04150 -1.0 2.0
   48    50   -59    54   0.56750  1.0 1.0
   48    50   -59    54  -0.07550 -1.0 2.0
   48    50   -59    54   0.20000  1.0 3.0
   48    50    59    60   0.15000  1.0 3.0
   48    50    59    61   0.15000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51   -54    59   0.47100  1.0 1.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    53   0.43200  1.0 3.0
   49    48    50    59   0.15000  1.0 3.0
   49    48    51    71   0.15000  1.0 3.0
   49    48    51    52   0.13050  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    38    39   0.62750  1.0 1.0
   50    33    38    39  -0.30950 -1.0 2.0
   50    33    38    39   0.27300  1.0 3.0
   50    33    38    40   0.15000  1.0 3.0
   50    33   -38    41   0.56750  1.0 1.0
   50    33   -38    41  -0.07550 -1.0 2.0
   50    33   -38    41   0.20000  1.0 3.0
   50    48    51    71   0.47100  1.0 1.0
   50    48    51    52   0.17350  1.0 3.0
   50    48   -51    54   0.47100  1.0 1.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    62   3.62500 -1.0 2.0
   50    53    66    64   3.62500 -1.0 2.0
   50    53   -66    71   3.62500 -1.0 2.0
   53    50    59    54  -0.03700  1.0 1.0
   53    50    59    54   0.37200 -1.0 2.0
   53    50    59    54  -0.47300  1.0 3.0
   53    50    59    60   0.43200  1.0 3.0
   53    50    59    61   0.43200  1.0 3.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    78   3.62500 -1.0 2.0
   53    66    71    72   0.00000  1.0 1.0
   53    66    71    73   0.00000  1.0 1.0
   53    66    71    51  -0.46400 -1.0 2.0
   57    53    66    64   3.62500 -1.0 2.0
   57    53    66    71   3.62500 -1.0 2.0
   57    62   -63    64   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    78    68   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    78   3.62500 -1.0 2.0
   62    63    64    66   3.62500 -1.0 2.0
   62    63    64    67   3.62500 -1.0 2.0
   62    63   -65    68   1.63200 -1.0 2.0
   63    62   -78    68   1.63200 -1.0 2.0
   63    64   -66    53   3.62500 -1.0 2.0
   63    64    66    71   3.62500 -1.0 2.0
   63    64    67    74   1.63200 -1.0 2.0
   63    65    68    69   0.08050  1.0 3.0
   63    65    68    70   0.08050  1.0 3.0
   63    65   -68    78  -0.25600  1.0 1.0
   63    65   -68    78  -0.40050 -1.0 2.0
   63    65   -68    78   0.34700  1.0 3.0
   64    63    65    68   1.63200 -1.0 2.0
   64    66    71    72   0.00000  1.0 1.0
   64    66    71    73   0.00000  1.0 1.0
   64    66    71    51  -0.46400 -1.0 2.0
   64    67    74    75   0.08050  1.0 3.0
   64    67    74    76   0.08050  1.0 3.0
   64    67    74    77   0.08050  1.0 3.0
   66    53    57    58   3.62500 -1.0 2.0
   66    53   -57    62   3.62500 -1.0 2.0
   66    64    67    74   1.63200 -1.0 2.0
   66    71   -51    48   0.03550  1.0 1.0
   66    71   -51    48   0.09800 -1.0 2.0
   66    71    51    52   0.17350  1.0 3.0
   66    71    51    54   0.03550  1.0 1.0
   66    71    51    54   0.09800 -1.0 2.0
   71    51    54    55   0.15000  1.0 3.0
   71    51    54    56   0.15000  1.0 3.0
   71    51    54    59   0.47100  1.0 1.0
   72    71    51    48   0.15000  1.0 3.0
   72    71    51    52   0.13050  1.0 3.0
   72    71    51    54   0.15000  1.0 3.0
   73    71    51    48   0.15000  1.0 3.0
   73    71    51    52   0.13050  1.0 3.0
   73    71    51    54   0.15000  1.0 3.0
   51    48    50    33   1.36600  1.0 1.0
   51    48    50    33  -0.11450 -1.0 2.0
   51    48    50    33   0.24250  1.0 3.0
   51    48   -50    53   1.24050  1.0 1.0
   51    48   -50    53   0.48100 -1.0 2.0
   51    48   -50    53   1.08150  1.0 3.0
   51    48   -50    59   1.36600  1.0 1.0
   51    48   -50    59  -0.11450 -1.0 2.0
   51    48   -50    59   0.24250  1.0 3.0
   51    54   -59    50   1.36600  1.0 1.0
   51    54   -59    50  -0.11450 -1.0 2.0
   51    54   -59    50   0.24250  1.0 3.0
   51    54    59    60   0.19200  1.0 3.0
   51    54    59    61   0.19200  1.0 3.0
   52    51    54    55   0.13050  1.0 3.0
   52    51    54    56   0.13050  1.0 3.0
   52    51    54    59   0.17350  1.0 3.0
   55    54    59    50   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   56    54    59    50   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   59    50    53    57   0.04150 -1.0 2.0
   59    50    53    66   0.04150 -1.0 2.0
   67    64    66    53   3.62500 -1.0 2.0
   67    64    66    71   3.62500 -1.0 2.0
   65    63    64    66   3.62500 -1.0 2.0
   65    63    64    67   3.62500 -1.0 2.0
   65    68   -78    62  -0.25600  1.0 1.0
   65    68   -78    62  -0.40050 -1.0 2.0
   65    68   -78    62   0.34700  1.0 3.0
   69    68    78    62   0.08050  1.0 3.0
   70    68    78    62   0.08050  1.0 3.0
   78    62    63    64   3.62500 -1.0 2.0
   78    62   -63    65   3.62500 -1.0 2.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  1.0 3.0
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
   57    66    53    50   4.00000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   63    78    62    57   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   66    67    64    63   4.00000 -1.0 2.0
   64    71    66    53   4.00000 -1.0 2.0
END
