* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    139    212     398
    1     0 S   NP   _N1_     1    29.26611    89.44153   -22.33268
    2     1 S   H    _HN1     2     1.03207   100.35037    53.10900
    3     1 S   H    _H1_     3     1.02919     6.69922  -127.46836
    4     1 S   H    _H2_     4     1.02759   110.53583   -60.41089
    5     1 S   CT   _CA1     5     1.50451   113.66217   172.47056
    6     5 S   HC   _HA1     6     1.09708   104.53083    70.25079
    7     5 S   CO3  _C1_     7     1.54220   110.89120   -45.26058
    8     7 S   O2Z  _O11     8     1.26001   116.73569  -116.09732
    9     7 S   O2Z  _O12     9     1.26583   113.73840    62.74366
   10     5 S   CT   _CB1    10     1.53095   107.02526  -174.15729
   11    10 S   HC   HB11    11     1.09826   109.34473   -45.62677
   12    10 S   HC   HB12    12     1.09796   110.40471    70.81932
   13    10 S   CT   _CG1    13     1.53201   112.63389  -166.54918
   14    13 S   HC   HG11    14     1.09468   110.66508   -62.56961
   15    13 S   HC   HG12    15     1.09641   110.16787    56.46437
   16    13 S   C    _CD1    16     1.51819   111.90090   175.85291
   17    16 S   O    _OE1    17     1.22769   122.86134   -20.61511
   18    16 S   N    _N2_    18     1.38609   112.24656   160.96359
   19    18 S   H    _HN2    19     1.01590   119.13327     0.37273
   20    18 S   CT1  _CA2    20     1.46273   123.21475   179.50544
   21    20 S   HC   _HA2    21     1.09568   108.85062   -12.59700
   22    20 S   C    _C2_    22     1.53381   108.52588  -127.66852
   23    22 S   O    _O2_    23     1.23029   122.37790  -148.21897
   24    20 S   CT   _CB2    32     1.53557   111.80280   109.85895
   25    24 S   HC   HB21    33     1.09652   109.45052    57.78122
   26    24 S   HC   HB22    34     1.09545   111.55924   175.44667
   27    22 S   N    _N3_    24     1.38372   113.47027    39.35693
   28    27 S   H    _HN3    25     1.01651   119.50667    -3.61823
   29    24 S   S    _SG2    35     1.82648   113.41388   -61.35666
   30    27 S   CT   _CA3    26     1.45294   123.06639   176.85353
   31    30 S   HC   HA31    27     1.09553   107.55756   -63.16103
   32    30 S   HC   HA32    28     1.09560   107.90191    53.22876
   33    29 S   CT   _C23    36     1.83488   100.51094   -83.27011
   34    33 S   F    F1__    37     1.36547   107.86459   -87.82182
   35    33 S   F    F2__    38     1.36390   109.97239    25.89590
   36    30 S   CO3  _C3_    29     1.52920   114.17174   175.23141
   37    36 S   O2Z  _O31    30     1.26355   116.04990     0.51320
   38    36 S   O2Z  _O32    31     1.26429   114.41387  -179.44433
   39    33 S   CA   _C20    39     1.50970   109.87182   149.40229
   40    39 S   CA   _C19    40     1.40288   119.99955   -89.62536
   41    40 S   HA   _H16    41     1.08724   120.32634    -2.29363
   42    40 S   CA   _C18    42     1.39386   120.68082   177.26706
   43    42 S   HA   _H15    43     1.08596   119.34759   179.88131
   44    42 S   CA   _C17    44     1.39578   119.61195    -0.26980
   45    44 S   CA   _C22    45     1.39456   120.45840     2.25845
   46    45 S   HA   _H18    46     1.08633   120.47161   178.61577
   47    44 S   OS   _O34    49     1.37802   121.22871   179.77100
   48    39 S   CA   _C21    47     1.40282   120.99129    88.88126
   49    48 S   HA   _H17    48     1.08745   120.33051     1.79188
   50    47 S   CA   _C14    50     1.37760   114.37983    63.20906
   51    50 S   CA   _C13    51     1.39566   120.77241    69.57361
   52    51 S   HA   _H12    52     1.08611   120.82520    -0.54357
   53    51 S   CA   _C12    53     1.39472   119.56828   179.33090
   54    53 S   HA   _H11    54     1.08706   119.07508  -179.92598
   55    53 S   CA   _C11    55     1.40328   120.57241     0.31528
   56    55 S   CA   _C16    56     1.40241   119.07794    -1.78674
   57    56 S   HA   _H14    57     1.08721   120.47998  -178.90568
   58    55 S   CT   _C10    60     1.51039   120.41030   179.39932
   59    58 S   HC   _H9_    61     1.09639   107.47609    60.10825
   60    58 S   HC   _H10    62     1.09631   110.00981   177.49173
   61    50 S   CA   _C15    58     1.39418   118.60409  -112.98162
   62    61 S   HA   _H13    59     1.08627   120.49630     0.97639
   63    58 S   C    _C9_    63     1.52593   113.39489   -61.97849
   64    63 S   O    _O33    64     1.23414   120.44312   -27.90402
   65    63 S   N    _N5_    65     1.40656   115.48719   153.24585
   66    65 S   C5A  _C7_    66     1.41048   117.43034  -152.71460
   67    65 S   CT   _C8_    76     1.47081   120.67994    31.62726
   68    67 S   HC   _H6_    77     1.09427   108.99381  -125.46220
   69    67 S   HC   _H7_    78     1.09442   109.44248   113.81308
   70    67 S   HC   _H8_    79     1.09082   112.78925    -4.57838
   71    66 S   C5B  _C6_    67     1.38820   133.98270    28.11008
   72    71 S   Cl   Cl1_    68     1.71597   127.70192     4.79861
   73    71 S   C5B  _C5_    69     1.44128   110.79337   179.69226
   74    73 S   N5A  _N4_    70     1.33235   115.80762    -0.76745
   75    73 S   CT   _C4_    72     1.49026   126.57527  -178.45845
   76    75 S   HC   _H3_    73     1.09480   110.05664    75.88715
   77    75 S   HC   _H4_    74     1.09534   111.48750  -164.20868
   78    75 S   HC   _H5_    75     1.09324   111.25322   -44.25045
   79    66 S   SA   _S1_    71     1.71405   118.52711  -154.91519
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   7   3   8   5   3   8   1
   1   9   8   4   9   3  10   7   3   8   4   3   1   1   9   3
  10  10   5   2   1   1   8   4   6   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49  
   41    42    43    44    45    48    49    47  
   42    43    44    48  
   43    44    45    46    48    47    50  
   44    45    47  
   45    46    48    49    47    50    51    61  
   46    48    49    47    50  
   48    49    47  
   50    51    52    53    56    61    62    48  
   49  
    0  
   51    52    53    54    55    56    57    61    62  
   52    53    54    55    56    61    62    58  
   53    54    55    61  
   54    55    56    57    61    58    59    60    63  
   55    56    58  
   56    57    61    62    58    59    60    63    64    65  
   57    61    62    58    59    60    63  
   61    62    58  
   59    60    63    64    65    66    67    61  
   60    63    64    65  
   63    64    65  
   62  
    0  
   64    65    66    71    79    67    68    69    70  
   65    66    67  
   66    71    72    73    74    79    67    68    69    70  
   71    72    73    74    79    75    67    68    69    70  
   68    69    70    71    79  
   69    70  
   70  
    0  
   72    73    74    79    75    76    77    78  
   73    74    79    75  
   74    79    75    76    77    78  
   79    75    76    77    78  
   76    77    78    79  
   77    78  
   78  
    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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.2500   0.1700  -0.155000   1.8100   1.6000   0.054801302  -1.445846770
   66   3.5500   0.0700   0.123100   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.075900   2.0020   1.7750   0.001000000  -0.843144165
   72   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   73   3.5500   0.0700   0.243200   2.0020   1.7750   0.001000000  -0.843144165
   74   3.2800   0.1700  -0.441000   1.8650   1.6500   0.001000000  -0.511443539
   75   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5600   0.3950   0.148800   2.0080   1.7800   0.025682759  -1.666211680
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   450.000  1.364
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   47    50   450.000  1.364
   50    51   469.000  1.400
   50    61   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   469.000  1.400
   55    58   317.000  1.510
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   317.000  1.522
   63    64   570.000  1.229
   63    65   490.000  1.335
   65    66   490.000  1.346
   65    67   337.000  1.449
   66    71   520.000  1.370
   66    79   265.000  1.745
   71    72   265.000  1.699
   71    73   400.000  1.425
   73    74   585.000  1.311
   73    75   295.000  1.494
   74    79   270.000  1.679
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    48    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    45    63.00000  120.00000
   39    48    49    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    70.00000  120.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    48    63.00000  120.00000
   44    47    50    85.00000  114.70000
   45    48    49    35.00000  120.00000
   48    39    40    63.00000  120.00000
   48    45    46    35.00000  120.00000
   47    44    45    70.00000  120.00000
   47    50    51    70.00000  120.00000
   47    50    61    70.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    53    63.00000  120.00000
   50    61    56    63.00000  120.00000
   50    61    62    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    55    63.00000  120.00000
   53    51    52    35.00000  120.00000
   53    55    56    63.00000  120.00000
   53    55    58    70.00000  120.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    61    63.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    70.00000  109.44300
   56    61    62    35.00000  120.00000
   61    50    51    63.00000  120.00000
   61    56    57    35.00000  120.00000
   58    55    56    70.00000  120.00000
   58    63    64    80.00000  120.40000
   58    63    65    70.00000  116.60000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    65    66    65.00000  122.00000
   63    65    67    50.00000  121.90000
   65    63    64    80.00000  122.90000
   65    66    71    65.00000  130.52000
   65    66    79    70.00000  125.14000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    35.00000  109.50000
   66    71    72    60.00000  126.25900
   66    71    73    75.00000  112.39000
   66    79    74   110.00000   96.02700
   71    73    74    80.00000  114.47200
   71    73    75    55.00000  128.10000
   73    71    72    75.00000  120.00000
   73    74    79    90.00000  106.54600
   73    75    76    45.00000  111.11700
   73    75    77    45.00000  111.11700
   73    75    78    45.00000  111.11700
   79    66    71    80.00000  111.29200
   75    73    74    65.00000  122.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    65    66    70.00000  121.06000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    48  -0.16000  1.0 1.0
   29    33    39    48  -0.03200 -1.0 2.0
   29    33    39    48   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    48    45   3.62500 -1.0 2.0
   33    39    48    49   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    48    45   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    47    50   0.47150 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -48    39   3.62500 -1.0 2.0
   44    45    48    49   3.62500 -1.0 2.0
   44    47    50    51   0.47150 -1.0 2.0
   44    47    50    61   0.47150 -1.0 2.0
   45    44    47    50   0.47150 -1.0 2.0
   46    45    48    39   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    48   3.62500 -1.0 2.0
   47    50    51    52   3.62500 -1.0 2.0
   47    50    51    53   3.62500 -1.0 2.0
   47    50    61    56   3.62500 -1.0 2.0
   47    50    61    62   3.62500 -1.0 2.0
   50    51    53    54   3.62500 -1.0 2.0
   50    51    53    55   3.62500 -1.0 2.0
   51    50    61    56   3.62500 -1.0 2.0
   51    50    61    62   3.62500 -1.0 2.0
   51    53   -55    56   3.62500 -1.0 2.0
   51    53    55    58   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55    56    61   3.62500 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    63   0.04300 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   55    56   -61    50   3.62500 -1.0 2.0
   55    56    61    62   3.62500 -1.0 2.0
   55    58    63    64   0.30150 -1.0 2.0
   55    58    63    65   0.00000  1.0 1.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    63   0.04300 -1.0 2.0
   57    56    61    50   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   61    50    51    52   3.62500 -1.0 2.0
   61    50   -51    53   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    61   3.62500 -1.0 2.0
   58    63    65    66   0.76000  1.0 1.0
   58    63    65    66   4.11600 -1.0 2.0
   58    63    65    67   1.49850  1.0 1.0
   58    63    65    67   1.53950 -1.0 2.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    65   0.00000  1.0 1.0
   63    65    66    71   1.00100  1.0 1.0
   63    65    66    71   0.85050 -1.0 2.0
   63    65    66    79   0.96250 -1.0 2.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    69   0.00000  1.0 1.0
   63    65    67    70   0.00000  1.0 1.0
   64    63    65    66   0.04000 -1.0 2.0
   64    63    65    67   3.04450 -1.0 2.0
   65    66    71    72   3.62500 -1.0 2.0
   65    66    71    73   3.62500 -1.0 2.0
   65    66    79    74   3.62500 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.00000  1.0 1.0
   66    71   -73    74   3.62500 -1.0 2.0
   66    71    73    75   3.62500 -1.0 2.0
   71    66   -79    74   3.62500 -1.0 2.0
   71    73   -74    79   3.62500 -1.0 2.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    77   0.00000  1.0 1.0
   71    73    75    78   0.00000  1.0 1.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -79    66   3.62500 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   79    66    71    72   3.62500 -1.0 2.0
   79    66   -71    73   3.62500 -1.0 2.0
   75    73    74    79   3.62500 -1.0 2.0
   67    65    66    71   0.81400  1.0 1.0
   67    65    66    71   1.55550 -1.0 2.0
   67    65    66    79   0.96250 -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
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   48    46    45    44   1.10000 -1.0 2.0
   45    49    48    39   1.10000 -1.0 2.0
   51    61    50    47   4.00000 -1.0 2.0
   53    52    51    50   1.10000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   56    58    55    53   4.00000 -1.0 2.0
   61    57    56    55   1.10000 -1.0 2.0
   56    62    61    50   1.10000 -1.0 2.0
   58    65    63    64  10.50000 -1.0 2.0
   67    63    65    66   1.00000 -1.0 2.0
   71    79    66    65   4.00000 -1.0 2.0
   73    72    71    66   4.00000 -1.0 2.0
   75    74    73    71   4.00000 -1.0 2.0
END
