* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    245     437
    1     0 S   NP   _N1_     1    28.89262    96.33498   -20.65415
    2     1 S   H    _HN1     2     1.02955    83.79470    23.99898
    3     1 S   H    _H1_     3     1.02845    44.01531   146.54798
    4     1 S   H    _H2_     4     1.02803    80.79252   -85.67909
    5     1 S   CT   _CA1     5     1.50031   154.77634   150.81276
    6     5 S   HC   _HA1     6     1.09552   105.38880    56.15096
    7     5 S   CO3  _C1_     7     1.53813   112.44470   -64.59189
    8     7 S   O2Z  _O11     8     1.26385   115.19247   -45.11874
    9     7 S   O2Z  _O12     9     1.26248   115.16121   134.80579
   10     5 S   CT   _CB1    10     1.53142   107.53910   174.49669
   11    10 S   HC   HB11    11     1.09816   109.83284   -47.88253
   12    10 S   HC   HB12    12     1.09827   110.22424    68.79442
   13    10 S   CT   _CG1    13     1.52993   112.46302  -168.83722
   14    13 S   HC   HG11    14     1.09464   110.64998   -54.50641
   15    13 S   HC   HG12    15     1.09635   110.03011    64.50471
   16    13 S   C    _CD1    16     1.51709   112.23071  -175.08159
   17    16 S   O    _OE1    17     1.22712   123.22723   -11.01939
   18    16 S   N    _N2_    18     1.38573   111.56618   169.46894
   19    18 S   H    _HN2    19     1.01591   119.11057     2.16374
   20    18 S   CT1  _CA2    20     1.46183   123.47346   179.73533
   21    20 S   HC   _HA2    21     1.09743   109.33898    -6.67233
   22    20 S   C    _C2_    22     1.53509   108.61485  -122.02925
   23    22 S   O    _O2_    23     1.23015   122.39698  -150.79517
   24    20 S   CT   _CB2    32     1.53528   111.23586   115.33208
   25    24 S   HC   HB21    33     1.09411   109.52115    54.19024
   26    24 S   HC   HB22    34     1.09324   109.63806   173.69307
   27    22 S   N    _N3_    24     1.38386   113.60428    36.91011
   28    27 S   H    _HN3    25     1.01616   119.50854    -3.58971
   29    24 S   S    _SG2    35     1.82689   111.16256   -67.90400
   30    27 S   CT   _CA3    26     1.45287   123.11572   176.95078
   31    30 S   HC   HA31    27     1.09553   107.51445   -64.09686
   32    30 S   HC   HA32    28     1.09559   107.96619    52.31988
   33    29 S   CT   _C10    36     1.86036   102.79397   161.46705
   34    30 S   CO3  _C3_    29     1.52930   114.12948   174.29680
   35    34 S   O2Z  _O31    30     1.26368   116.05789    -1.28512
   36    34 S   O2Z  _O32    31     1.26433   114.42033   178.77715
   37    33 S   CT1  _C9_    37     1.56524   113.76076    48.03193
   38    37 S   HC   _H6_    38     1.10036   108.52127    39.09194
   39    33 S   S    _S1_    63     1.87947   107.83162   -75.27964
   40    37 S   N4   _N4_    39     1.46733   101.77656   149.21037
   41    37 S   CO3  _C16    60     1.54550   123.79478   -86.26693
   42    41 S   O2Z  _O35    61     1.26328   116.25138   -71.92854
   43    41 S   O2Z  _O34    62     1.26431   114.83214   109.61313
   44    39 S   CT   _C11    64     1.82441   103.52737   -68.42599
   45    44 S   HC   _H7_    65     1.09516   111.20516    19.55326
   46    40 S   C4   _C8_    40     1.35762   127.89317  -132.20088
   47    46 S   O    _O33    41     1.20963   132.56727   -37.97627
   48    40 S   C4T  _C6_    44     1.46898   116.37679    -9.02095
   49    48 S   HC   _H4_    45     1.09851   110.51129   102.31080
   50    44 S   CT   _C12    66     1.55759   111.65178  -102.88909
   51    50 S   HC   _H12    67     1.09358   114.21966   -23.13241
   52    50 S   HC   _H13    68     1.09222   112.92787   105.44075
   53    44 S   CT   _C15    76     1.56417   110.86004   139.28138
   54    53 S   HC   _H16    77     1.09189   111.25201  -103.52385
   55    53 S   HC   _H17    78     1.09431   113.81992    21.84960
   56    46 S   C4T  _C7_    42     1.54785    91.23858   137.04534
   57    56 S   HC   _H5_    43     1.09636   112.06042  -119.69100
   58    33 S   CT   _C5_    46     1.59289   111.54622   163.13078
   59    58 S   HC   _H3_    47     1.09188   111.99757    81.57635
   60    50 S   N5P  _N5_    69     1.44459   101.91241  -138.37454
   61    58 S   CT   _C4_    48     1.53476   115.77009   -39.84860
   62    61 S   HC   _H9_    49     1.09444   112.38262   -53.93757
   63    61 S   HC   _H10    50     1.09546   110.36957  -174.12877
   64    61 S   HC   _H11    51     1.09412   111.51358    67.98629
   65    56 S   CT   _C17    52     1.52387   115.57275   111.01084
   66    65 S   HC   _H8_    53     1.09593   111.07359   -48.09614
   67    60 S   C5X  _C13    70     1.35746   137.21314  -169.52905
   68    67 S   HA   _H14    71     1.08056   124.70722     1.06091
   69    65 S   CT   _C18    54     1.52174   110.83505    74.56469
   70    69 S   HC   _H18    55     1.09581   110.98190    59.19527
   71    69 S   HC   _H19    56     1.09395   111.58310   -61.66938
   72    69 S   HC   _H20    57     1.09524   110.53886   177.47323
   73    65 S   OH   _O36    58     1.42571   107.89869  -166.21168
   74    73 S   HO   _H21    59     0.97266   107.50151  -179.65395
   75    67 S   N5B  _N6_    72     1.34671   108.90775  -178.71443
   76    75 S   C5X  _C14    73     1.41092   105.26460    -0.02798
   77    76 S   HA   _H15    74     1.07804   123.58970   179.64612
   78    60 S   N5P  _N7_    75     1.34524   112.53517    11.62654
  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  11   5   4   3
  21   2   1   1  15   8  16  13   5   1   1  12   8  10   4  13
   6  11   5   4   8   4   3  12   5   6   4   6   3   2   1   1
   7   6   5   3   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    58    59    61    41    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    46    56    48    49    58    59    61    62    63    64    41    42    43    39    44    45    50    53  
   35    36  
   36  
    0  
   38    40    46    47    56    48    49    58    59    61    41    42    43    39    44  
   40    46    48    58    41    42    43    39  
   44    45    50    51    52    60    78    53    54    55    40    41    48    58    59    61  
   46    47    56    57    48    49    58    59    61    65    41    42    43  
   42    43    46    48    58  
   43  
    0  
   45    50    51    52    60    67    76    78    53    54    55    58  
   50    51    52    60    78    53    54    55  
   47    56    57    48    49    58    65    66    69    73  
   56    57    48    65  
   49    58    59    61    62    63    64    65    66    69    73    56    57  
   58    59    61    65    56    57  
   51    52    60    67    68    75    76    78    53    54    55  
   52    60    67    78    53  
   60    67    78    53  
   54    55    60    67    75    76    77    78  
   55    60    76    78  
   60    76    78  
   57    58    59    61    65    66    69    70    71    72    73    74  
   58    65    66    69    73  
   59    61    62    63    64    65  
   61    62    63    64  
   67    68    75    76    77    78  
   62    63    64  
   63    64  
   64  
    0  
   66    69    70    71    72    73    74  
   69    70    71    72    73    74  
   68    75    76    77    78  
   75    76    78  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700   0.000900   1.8000   1.6000   0.001000000  -0.511443539
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.470000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.164900   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.2800   0.1700  -0.516500   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5500   0.0700   0.470200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.165000   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700   0.000500   1.9750   1.7500   0.001000000  -0.511443539
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    58   268.000  1.529
   33    39   222.000  1.810
   37    38   340.000  1.090
   37    40   337.000  1.449
   37    41   317.000  1.522
   40    46   440.000  1.369
   40    48   305.000  1.456
   46    47   930.000  1.212
   46    56   250.000  1.540
   56    57   340.000  1.090
   56    48   268.000  1.529
   56    65   260.000  1.519
   48    49   340.000  1.090
   48    58   260.000  1.519
   58    59   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    73   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
   39    44   222.000  1.810
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   300.000  1.456
   60    67   455.000  1.369
   60    78   275.000  1.382
   67    68   367.000  1.080
   67    75   580.000  1.314
   75    76   580.000  1.314
   76    77   367.000  1.080
   76    78   455.000  1.369
   78    53   300.000  1.456
   53    54   340.000  1.090
   53    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  108.68000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    40    80.00000  109.70000
   33    37    41    63.00000  111.10000
   33    58    48    70.00000  112.98000
   33    58    59    37.50000  110.70000
   33    58    61    58.35000  112.70000
   33    39    44    62.00000   98.90000
   37    40    46    50.00000  132.10000
   37    40    48    50.00000  132.70000
   37    41    42    70.00000  117.00000
   37    41    43    70.00000  117.00000
   40    37    38    35.00000  109.50000
   40    46    47    75.00000  131.60000
   40    46    56    95.00000   92.72400
   40    48    56   105.00000   87.49700
   40    48    49    50.00000  112.01000
   40    48    58    80.00000  110.05700
   46    56    57    40.00000  113.37500
   46    56    48   100.00000   86.36000
   46    56    65    63.00000  111.10000
   56    46    47    60.00000  136.58000
   56    48    49    37.50000  110.70000
   56    48    58    65.00000  119.52000
   56    65    66    45.00000  111.22300
   56    65    69    70.00000  112.98000
   56    65    73    50.00000  109.50000
   48    40    46   100.00000   93.00000
   48    56    57    37.50000  110.70000
   48    58    59    45.00000  111.22300
   48    58    61    70.00000  112.98000
   58    33    37    58.35000  112.70000
   58    48    49    45.00000  112.72800
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    37.50000  110.70000
   61    58    59    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    56    57    45.00000  112.72800
   65    56    48    65.00000  119.52000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   65    73    74    55.00000  108.50000
   69    65    66    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    65    66    35.00000  109.50000
   73    65    69    50.00000  109.50000
   41    37    38    35.00000  109.50000
   41    37    40    63.00000  110.10000
   43    41    42    80.00000  126.00000
   39    33    37    75.00000  108.68000
   39    33    58    75.00000  111.63000
   39    44    45    35.00000  109.50000
   39    44    50    75.00000  111.63000
   39    44    53    75.00000  111.63000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    60    75.00000  111.19500
   44    53    78    75.00000  111.19500
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   50    44    45    37.50000  110.70000
   50    60    67    60.00000  126.76000
   50    60    78    75.00000  116.00000
   52    50    51    33.00000  107.80000
   60    50    51    50.00000  107.70000
   60    50    52    50.00000  107.70000
   60    67    68    40.00000  122.05800
   60    67    75    95.00000  110.94000
   60    78    76    80.00000  120.70000
   60    78    53    75.00000  116.00000
   67    75    76    90.00000  108.12000
   75    67    68    40.00000  126.34000
   75    76    77    40.00000  126.34000
   75    76    78    95.00000  110.94000
   76    78    53    60.00000  126.76000
   78    60    67    80.00000  120.70000
   78    76    77    40.00000  122.05800
   78    53    54    50.00000  107.70000
   78    53    55    50.00000  107.70000
   53    44    45    37.50000  110.70000
   53    44    50    58.35000  112.70000
   55    53    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    37    38   0.15000  1.0 3.0
   29    33    37    40   0.71400  1.0 1.0
   29    33    37    40   0.04300 -1.0 2.0
   29    33    37    40   0.01450  1.0 3.0
   29    33    37    41  -2.17200  1.0 1.0
   29    33    37    41  -0.85700 -1.0 2.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    61   0.44750  1.0 1.0
   29    33    58    61  -0.17800 -1.0 2.0
   29    33    58    61   0.20200  1.0 3.0
   29    33    39    44   0.08500  1.0 1.0
   29    33    39    44  -0.53150 -1.0 2.0
   29    33    39    44   0.48050  1.0 3.0
   33    37    40    46   0.00000  1.0 1.0
   33    37   -40    48   0.00000  1.0 1.0
   33    37    41    42   0.00000  1.0 1.0
   33    37    41    43   0.00000  1.0 1.0
   33    58    61    62   0.15000  1.0 3.0
   33    58    61    63   0.15000  1.0 3.0
   33    58    61    64   0.15000  1.0 3.0
   33    39    44    45   0.32350  1.0 3.0
   33    39    44    50   0.01700  1.0 1.0
   33    39    44    50  -0.23550 -1.0 2.0
   33    39    44    50   0.21350  1.0 3.0
   33    39    44    53   0.01700  1.0 1.0
   33    39    44    53  -0.23550 -1.0 2.0
   33    39    44    53   0.21350  1.0 3.0
   37    33   -58    48   0.31550 -1.0 2.0
   37    33   -58    48   0.11250  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    61   0.56750  1.0 1.0
   37    33    58    61  -0.07550 -1.0 2.0
   37    33    58    61   0.20000  1.0 3.0
   37    33    39    44   0.01700  1.0 1.0
   37    33    39    44  -0.23550 -1.0 2.0
   37    33    39    44   0.21350  1.0 3.0
   37    40    46    47   3.00000 -1.0 2.0
   37    40    46    56   3.00000 -1.0 2.0
   37    40   -48    56   0.00000  1.0 1.0
   37    40    48    49   0.00000  1.0 1.0
   37    40   -48    58   0.00000  1.0 1.0
   38    37    40    46   0.00000  1.0 1.0
   38    37    40    48   0.00000  1.0 1.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   40    37    41    42   0.00000  1.0 1.0
   40    37    41    43   0.00000  1.0 1.0
   40    46    56    57   0.00000  1.0 1.0
   40    46   -56    48   3.00000 -1.0 2.0
   40    46    56    65   1.39750  1.0 1.0
   40    46    56    65  -0.07950 -1.0 2.0
   40    46    56    65  -0.18750  1.0 3.0
   40    48   -58    33   0.43900  1.0 1.0
   40    48   -58    33   0.49100 -1.0 2.0
   40    48   -58    33   0.28400  1.0 3.0
   40    48    58    59   0.15000  1.0 3.0
   40    48    58    61   0.43900  1.0 1.0
   40    48    58    61   0.49100 -1.0 2.0
   40    48    58    61   0.28400  1.0 3.0
   46    40   -48    56   0.00000  1.0 1.0
   46    40    48    49   0.00000  1.0 1.0
   46    40    48    58   0.00000  1.0 1.0
   46    56   -48    40   3.00000 -1.0 2.0
   46    56   -48    49   0.15000  1.0 3.0
   46    56   -48    58  -0.95700  1.0 1.0
   46    56   -48    58  -0.18200 -1.0 2.0
   46    56   -48    58   0.29450  1.0 3.0
   46    56    65    66  -0.11250  1.0 3.0
   46    56    65    69  -0.95700  1.0 1.0
   46    56    65    69  -0.18200 -1.0 2.0
   46    56    65    69   0.29450  1.0 3.0
   46    56    65    73  -0.09450  1.0 1.0
   46    56    65    73  -1.12950 -1.0 2.0
   46    56    65    73   0.54000  1.0 3.0
   47    46    56    57   0.00000  1.0 1.0
   47    46    56    48  -0.11250  1.0 1.0
   47    46    56    48   0.11400 -1.0 2.0
   47    46    56    48  -0.28950  1.0 3.0
   47    46    56    65   0.30150 -1.0 2.0
   56    48    58    33   0.04050  1.0 1.0
   56    48    58    33   0.63700 -1.0 2.0
   56    48    58    33   0.17650  1.0 3.0
   56    48    58    59   0.00000  1.0 1.0
   56    48    58    61   0.04050  1.0 1.0
   56    48    58    61   0.63700 -1.0 2.0
   56    48    58    61   0.17650  1.0 3.0
   56    65    69    70   0.15000  1.0 3.0
   56    65    69    71   0.15000  1.0 3.0
   56    65    69    72   0.15000  1.0 3.0
   56    65    73    74  -0.11600  1.0 1.0
   56    65    73    74  -0.09450 -1.0 2.0
   56    65    73    74   0.21250  1.0 3.0
   57    56   -48    40   0.15000  1.0 3.0
   57    56    48    49   0.15000  1.0 3.0
   57    56    48    58   0.15000  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    69   0.15000  1.0 3.0
   57    56    65    73   0.23400  1.0 3.0
   48    40   -46    47   3.00000 -1.0 2.0
   48    40   -46    56   3.00000 -1.0 2.0
   48    56    65    66   0.00000  1.0 1.0
   48    56    65    69   0.04050  1.0 1.0
   48    56    65    69   0.63700 -1.0 2.0
   48    56    65    69   0.17650  1.0 3.0
   48    56    65    73   0.86500  1.0 1.0
   48    56    65    73  -0.17500 -1.0 2.0
   48    56    65    73   0.20800  1.0 3.0
   48    58    61    62   0.15000  1.0 3.0
   48    58    61    63   0.15000  1.0 3.0
   48    58    61    64   0.15000  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    61   0.15000  1.0 3.0
   58    33    37    38   0.15000  1.0 3.0
   58    33   -37    40   0.42250  1.0 1.0
   58    33   -37    40  -0.48100 -1.0 2.0
   58    33   -37    40   0.35650  1.0 3.0
   58    33    37    41  -0.84850  1.0 1.0
   58    33    37    41  -0.22800 -1.0 2.0
   58    33    37    41   0.29250  1.0 3.0
   58    33    39    44   0.01700  1.0 1.0
   58    33    39    44  -0.23550 -1.0 2.0
   58    33    39    44   0.21350  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   65    56   -48    40   0.43900  1.0 1.0
   65    56   -48    40   0.49100 -1.0 2.0
   65    56   -48    40   0.28400  1.0 3.0
   65    56    48    49   0.15000  1.0 3.0
   65    56    48    58   0.56750  1.0 1.0
   65    56    48    58  -0.07550 -1.0 2.0
   65    56    48    58   0.20000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   69    65    73    74  -0.11600  1.0 1.0
   69    65    73    74  -0.09450 -1.0 2.0
   69    65    73    74   0.21250  1.0 3.0
   73    65    69    70   0.23400  1.0 3.0
   73    65    69    71   0.23400  1.0 3.0
   73    65    69    72   0.23400  1.0 3.0
   41    37    40    46   0.00000  1.0 1.0
   41    37    40    48   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40   0.71400  1.0 1.0
   39    33    37    40   0.04300 -1.0 2.0
   39    33    37    40   0.01450  1.0 3.0
   39    33    37    41  -2.17200  1.0 1.0
   39    33    37    41  -0.85700 -1.0 2.0
   39    33    58    48   0.44750  1.0 1.0
   39    33    58    48  -0.17800 -1.0 2.0
   39    33    58    48   0.20200  1.0 3.0
   39    33    58    59   0.15000  1.0 3.0
   39    33    58    61   0.44750  1.0 1.0
   39    33    58    61  -0.17800 -1.0 2.0
   39    33    58    61   0.20200  1.0 3.0
   39    44    50    51   0.15000  1.0 3.0
   39    44    50    52   0.15000  1.0 3.0
   39    44    50    60   0.56750  1.0 1.0
   39    44    50    60  -0.07550 -1.0 2.0
   39    44    50    60   0.20000  1.0 3.0
   39    44    53    78   0.56750  1.0 1.0
   39    44    53    78  -0.07550 -1.0 2.0
   39    44    53    78   0.20000  1.0 3.0
   39    44    53    54   0.15000  1.0 3.0
   39    44    53    55   0.15000  1.0 3.0
   44    50    60    67   1.10250  1.0 1.0
   44    50    60    67   0.01650 -1.0 2.0
   44    50    60    67   0.39100  1.0 3.0
   44    50   -60    78   0.68100  1.0 1.0
   44    50   -60    78   0.03350 -1.0 2.0
   44    50   -60    78   0.36200  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    60   0.15000  1.0 3.0
   45    44    53    78   0.15000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   50    44   -53    78  -0.64600  1.0 1.0
   50    44   -53    78   0.58400 -1.0 2.0
   50    44    53    54   0.15000  1.0 3.0
   50    44    53    55   0.15000  1.0 3.0
   50    60    67    68   3.62500 -1.0 2.0
   50    60    67    75   3.62500 -1.0 2.0
   50    60    78    76   3.62500 -1.0 2.0
   50    60   -78    53   3.62500 -1.0 2.0
   51    50    60    67   0.00000  1.0 1.0
   51    50    60    78   0.00000  1.0 1.0
   52    50    60    67   0.00000  1.0 1.0
   52    50    60    78   0.00000  1.0 1.0
   60    67   -75    76   3.62500 -1.0 2.0
   60    78   -53    44   0.68100  1.0 1.0
   60    78   -53    44   0.03350 -1.0 2.0
   60    78   -53    44   0.36200  1.0 3.0
   60    78    53    54   0.00000  1.0 1.0
   60    78    53    55   0.00000  1.0 1.0
   67    60   -78    76   3.62500 -1.0 2.0
   67    60    78    53   3.62500 -1.0 2.0
   67    75    76    77   3.62500 -1.0 2.0
   67    75   -76    78   3.62500 -1.0 2.0
   68    67    75    76   3.62500 -1.0 2.0
   75    76   -78    60   3.62500 -1.0 2.0
   75    76    78    53   3.62500 -1.0 2.0
   76    78    53    44   1.10250  1.0 1.0
   76    78    53    44   0.01650 -1.0 2.0
   76    78    53    44   0.39100  1.0 3.0
   76    78    53    54   0.00000  1.0 1.0
   76    78    53    55   0.00000  1.0 1.0
   77    76    78    60   3.62500 -1.0 2.0
   77    76    78    53   3.62500 -1.0 2.0
   78    60    67    68   3.62500 -1.0 2.0
   78    60   -67    75   3.62500 -1.0 2.0
   53    44    50    51   0.15000  1.0 3.0
   53    44    50    52   0.15000  1.0 3.0
   53    44   -50    60  -0.64600  1.0 1.0
   53    44   -50    60   0.58400 -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
   35    30    34    36  10.50000 -1.0 2.0
   48    46    40    37   1.00000 -1.0 2.0
   40    56    46    47  10.50000 -1.0 2.0
   42    37    41    43  10.50000 -1.0 2.0
   67    78    60    50   4.00000 -1.0 2.0
   75    68    67    60   1.10000 -1.0 2.0
   78    77    76    75   1.10000 -1.0 2.0
   76    53    78    60   4.00000 -1.0 2.0
END
