* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    227     413
    1     0 S   NP   _N1_     1    28.82158    94.54858   -21.30318
    2     1 S   H    _HN1     2     1.02831    32.66346   155.55989
    3     1 S   H    _H1_     3     1.02791    98.19108   -93.97039
    4     1 S   H    _H2_     4     1.02947    81.31933    13.50243
    5     1 S   CT   _CA1     5     1.50111   140.54022   125.23309
    6     5 S   HC   _HA1     6     1.09570   105.17552    76.20330
    7     5 S   CO3  _C1_     7     1.53703   112.45495   -44.03713
    8     7 S   O2Z  _O11     8     1.26369   114.98923   -42.54179
    9     7 S   O2Z  _O12     9     1.26218   114.95401   136.50098
   10     5 S   CT   _CB1    10     1.53041   107.42361  -165.78838
   11    10 S   HC   HB11    11     1.09838   109.33297   -49.28401
   12    10 S   HC   HB12    12     1.09810   110.48203    67.29877
   13    10 S   CT   _CG1    13     1.53011   112.63859  -170.20965
   14    13 S   HC   HG11    14     1.09517   110.65511   -67.85536
   15    13 S   HC   HG12    15     1.09656   109.76669    51.42859
   16    13 S   C    _CD1    16     1.51778   111.88967   172.09024
   17    16 S   O    _OE1    17     1.22759   123.07150    14.76652
   18    16 S   N    _N2_    18     1.38614   111.92124  -165.89819
   19    18 S   H    _HN2    19     1.01600   119.03905     1.04530
   20    18 S   CT1  _CA2    20     1.46354   123.28055   177.44312
   21    20 S   HC   _HA2    21     1.09740   109.37361    -2.79344
   22    20 S   C    _C2_    22     1.53421   108.48032  -118.22135
   23    22 S   O    _O2_    23     1.23030   122.32402  -148.21274
   24    20 S   CT   _CB2    32     1.53289   111.43679   119.25032
   25    24 S   HC   HB21    33     1.09346   109.57855    58.16759
   26    24 S   HC   HB22    34     1.09510   110.74771   176.40065
   27    22 S   N    _N3_    24     1.38346   113.51942    39.26992
   28    27 S   H    _HN3    25     1.01611   119.50803    -3.49138
   29    24 S   S    _SG2    35     1.82766   110.76227   -64.56454
   30    27 S   CT   _CA3    26     1.45276   123.25303   177.08866
   31    30 S   HC   HA31    27     1.09548   107.54508   -63.88387
   32    30 S   HC   HA32    28     1.09555   107.95084    52.55759
   33    29 S   CT   _C23    36     1.82862   100.73145   146.27745
   34    33 S   HC   _H3_    37     1.09542   108.75934    54.07614
   35    30 S   CO3  _C3_    29     1.52964   114.04701   174.54019
   36    35 S   O2Z  _O31    30     1.26381   116.05780    -0.15826
   37    35 S   O2Z  _O32    31     1.26422   114.42442   179.88986
   38    33 S   CO4  _C21    38     1.50560   110.38313   -65.87612
   39    38 S   O    _O26    39     1.22822   121.50644   104.08075
   40    38 S   CA   _C11    40     1.48797   117.93316   -74.65297
   41    40 S   CA   _C9_    41     1.41060   120.38647   -17.44451
   42    41 S   CA   _C6_    42     1.42484   119.84662   175.93259
   43    41 S   CO4  _C20    74     1.50545   118.55651    -5.24986
   44    43 S   O    _O25    75     1.22709   122.60857   178.27184
   45    42 S   CA   _C7_    43     1.48279   122.42983  -177.14330
   46    42 S   CA   _C13    64     1.42182   118.95008     2.24455
   47    33 S   CT   _C22    76     1.51550   111.21652   174.03944
   48    47 S   HC   _H34    77     1.09690   110.31383   -55.84197
   49    47 S   HC   _H35    78     1.09737   110.55480  -174.33721
   50    45 S   CA   _C12    44     1.41538   120.80892    87.98928
   51    46 S   CA   _C5_    65     1.39936   119.99894    -0.91835
   52    51 S   HA   _H31    66     1.08840   120.06854  -179.75371
   53    46 S   CT   _C25    70     1.50906   121.93305   178.17137
   54    53 S   HC   _H40    71     1.09448   110.25922   -65.60019
   55    53 S   HC   _H41    72     1.09382   110.90588    55.99504
   56    53 S   HC   _H42    73     1.09532   111.56233   175.19352
   57    50 S   CA   _C4_    45     1.40297   119.50143  -179.96044
   58    57 S   HA   _H30    46     1.08849   119.11715   179.52276
   59    50 S   CT   _C24    60     1.50726   121.70564    -1.13401
   60    59 S   HC   _H37    61     1.09451   110.33038   -65.73582
   61    59 S   HC   _H38    62     1.09394   110.77601    55.70521
   62    59 S   HC   _H39    63     1.09528   111.51557   174.77078
   63    40 S   CA   _C14    67     1.40047   119.65558   160.56222
   64    57 S   CA   _C8_    47     1.40026   120.92954    -0.36957
   65    63 S   OH   _O27    68     1.36940   123.75843     1.71794
   66    65 S   HO   _H43    69     0.97342   109.15053     5.52070
   67    64 S   CA   _C10    48     1.39689   120.36053     0.12195
   68    45 S   CA   _C15    49     1.41414   120.39613   -92.40617
   69    67 S   CO4  _C19    52     1.48215   119.38020   179.97202
   70    69 S   O    _O24    53     1.22541   121.85540   179.83929
   71    68 S   OH   _O28    50     1.37509   116.72055     0.41354
   72    71 S   HO   _H44    51     0.97325   109.32108   179.67979
   73    69 S   CM   _C17    54     1.47588   118.25100    -0.14402
   74    73 S   HC   _H33    55     1.08457   117.21385  -179.89913
   75    73 S   CM   _C16    56     1.33256   121.93257     0.10835
   76    75 S   HC   _H32    57     1.08436   121.02072   180.00000
   77    64 S   CO4  _C18    58     1.47813   118.60504  -179.97202
   78    77 S   O    _O23    59     1.22493   121.93156     0.14265
  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   9   5   4   3
  11   7   2   1   1  11   4  12  14  18   7   3  16  10   2   1
   1  11   8   3   4   2   1   1  12   4   5   2   1   1   2  10
   1   1  10   6   7   3   1   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    63    43    44    47    48    49  
   38    39    40    43    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    51    63    65    43    47    48    49  
   40    41    63    47  
   41    42    45    46    51    52    63    65    66    43    44    47  
   42    45    50    68    46    51    63    65    53    43    44    47    48    49  
   45    50    57    67    68    71    59    46    51    52    63    53    54    55    56    43    44    47  
   44    47    48    49    45    46    63  
   47    48    49  
   50    57    58    64    67    68    71    72    69    59    60    61    62    46    51    53  
   51    52    63    65    53    54    55    56    50    68  
   48    49  
   49  
    0  
   57    58    64    67    68    71    77    59    60    61    62  
   52    63    65    66    53    54    55    56  
   63    65    53  
   54    55    56    63  
   55    56  
   56  
    0  
   58    64    67    68    69    75    77    78    59    60    61    62  
   64    67    77    59  
   60    61    62    64    68  
   61    62  
   62  
    0  
   65    66  
   67    68    71    69    70    73    75    76    77    78  
   66  
    0  
   68    71    72    69    70    73    74    75    77    78  
   71    72    69    70    73    77  
   70    73    74    75    76    77    71  
   73    74    75  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   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   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    63   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   375.000  1.464
   42    46   469.000  1.400
   45    50   469.000  1.400
   45    68   469.000  1.400
   50    57   469.000  1.400
   50    59   317.000  1.510
   57    58   367.000  1.080
   57    64   469.000  1.400
   64    67   469.000  1.400
   64    77   310.000  1.470
   67    68   469.000  1.400
   67    69   310.000  1.470
   68    71   450.000  1.364
   71    72   553.000  0.945
   69    70   570.000  1.229
   69    73   320.000  1.462
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   320.000  1.462
   77    78   570.000  1.229
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   46    51   469.000  1.400
   46    53   317.000  1.510
   51    52   367.000  1.080
   51    63   469.000  1.400
   63    65   450.000  1.364
   65    66   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   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    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  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    43    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    63    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    63    51    63.00000  120.00000
   40    63    65    70.00000  120.00000
   41    42    45    60.00000  122.76000
   41    42    46    63.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    47    65.00000  115.47100
   42    45    50    60.00000  122.76000
   42    45    68    60.00000  122.76000
   42    46    51    63.00000  120.00000
   42    46    53    70.00000  120.00000
   45    50    57    63.00000  120.00000
   45    50    59    70.00000  120.00000
   45    68    67    63.00000  120.00000
   45    68    71    70.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    64    63.00000  120.00000
   50    59    60    35.00000  109.50000
   50    59    61    35.00000  109.50000
   50    59    62    35.00000  109.50000
   57    64    67    63.00000  120.00000
   57    64    77    60.00000  119.52600
   64    57    58    35.00000  120.00000
   64    67    68    63.00000  120.00000
   64    67    69    60.00000  119.52600
   64    77    75    65.00000  117.02400
   64    77    78    75.00000  123.78400
   67    68    71    70.00000  120.00000
   67    69    70    75.00000  123.78400
   67    69    73    65.00000  117.02400
   68    45    50    63.00000  120.00000
   68    71    72    35.00000  113.00000
   69    67    68    60.00000  119.52600
   69    73    74    40.00000  117.72500
   69    73    75    65.00000  118.96000
   73    69    70    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    77    65.00000  118.96000
   75    73    74    35.00000  120.00000
   75    77    78    80.00000  123.72100
   77    64    67    60.00000  119.52600
   77    75    76    40.00000  117.72500
   59    50    57    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   46    42    45    60.00000  122.76000
   46    51    52    35.00000  120.00000
   46    51    63    63.00000  120.00000
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    56    35.00000  109.50000
   51    63    65    70.00000  120.00000
   63    40    41    63.00000  120.00000
   63    51    52    35.00000  120.00000
   63    65    66    35.00000  113.00000
   53    46    51    70.00000  120.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    41    42    60.00000  119.52600
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    43    44    80.00000  120.40000
   49    47    48    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    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.56750  1.0 1.0
   29    33    47    43  -0.07550 -1.0 2.0
   29    33    47    43   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    63   2.26350  1.0 1.0
   33    38    40    63   0.76750 -1.0 2.0
   33    38    40    63   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    43   0.11950  1.0 1.0
   38    33    47    43   0.20300 -1.0 2.0
   38    33    47    43  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    49  -0.11250  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    63    51   3.62500 -1.0 2.0
   38    40    63    65   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    63   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    47   2.26350  1.0 1.0
   40    41    43    47   0.76750 -1.0 2.0
   40    41    43    47   0.22500  1.0 3.0
   40    63    65    66   0.84100 -1.0 2.0
   41    40    63    51   3.62500 -1.0 2.0
   41    40    63    65   3.62500 -1.0 2.0
   41    42    45    50  -0.19450  1.0 1.0
   41    42    45    50   0.63300 -1.0 2.0
   41    42    45    50   0.07450  1.0 3.0
   41    42    45    68  -0.19450  1.0 1.0
   41    42    45    68   0.63300 -1.0 2.0
   41    42    45    68   0.07450  1.0 3.0
   41    42   -46    51   3.62500 -1.0 2.0
   41    42    46    53   3.62500 -1.0 2.0
   41    43   -47    33   0.05850 -1.0 2.0
   41    43   -47    33   0.17250  1.0 3.0
   41    43    47    48   0.00000  1.0 1.0
   41    43    47    49   0.00000  1.0 1.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    47   2.26350  1.0 1.0
   42    41    43    47   0.76750 -1.0 2.0
   42    41    43    47   0.22500  1.0 3.0
   42    45    50    57   3.62500 -1.0 2.0
   42    45    50    59   3.62500 -1.0 2.0
   42    45    68    67   3.62500 -1.0 2.0
   42    45    68    71   3.62500 -1.0 2.0
   42    46    51    52   3.62500 -1.0 2.0
   42    46    51    63   3.62500 -1.0 2.0
   42    46    53    54   0.00000  1.0 1.0
   42    46    53    55   0.00000  1.0 1.0
   42    46    53    56   0.00000  1.0 1.0
   45    42    46    51   3.62500 -1.0 2.0
   45    42    46    53   3.62500 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    64   3.62500 -1.0 2.0
   45    50    59    60   0.00000  1.0 1.0
   45    50    59    61   0.00000  1.0 1.0
   45    50    59    62   0.00000  1.0 1.0
   45    68    71    72   0.84100 -1.0 2.0
   50    45    68    67   3.62500 -1.0 2.0
   50    45    68    71   3.62500 -1.0 2.0
   50    57   -64    67   3.62500 -1.0 2.0
   50    57    64    77   3.62500 -1.0 2.0
   57    50    59    60   0.00000  1.0 1.0
   57    50    59    61   0.00000  1.0 1.0
   57    50    59    62   0.00000  1.0 1.0
   57    64    67    68   3.62500 -1.0 2.0
   57    64    67    69   3.62500 -1.0 2.0
   57    64    77    75  -0.11500  1.0 1.0
   57    64    77    75   1.10450 -1.0 2.0
   57    64    77    75  -0.48050  1.0 3.0
   57    64    77    78   1.05000 -1.0 2.0
   58    57    64    67   3.62500 -1.0 2.0
   58    57    64    77   3.62500 -1.0 2.0
   64    67   -68    45   3.62500 -1.0 2.0
   64    67    68    71   3.62500 -1.0 2.0
   64    67    69    70   1.05000 -1.0 2.0
   64    67    69    73  -0.11500  1.0 1.0
   64    67    69    73   1.10450 -1.0 2.0
   64    67    69    73  -0.48050  1.0 3.0
   67    64    77    75  -0.11500  1.0 1.0
   67    64    77    75   1.10450 -1.0 2.0
   67    64    77    75  -0.48050  1.0 3.0
   67    64    77    78   1.05000 -1.0 2.0
   67    68    71    72   0.84100 -1.0 2.0
   67    69    73    74   1.64500 -1.0 2.0
   67    69   -73    75  -1.65800  1.0 1.0
   67    69   -73    75   0.77650 -1.0 2.0
   68    45   -50    57   3.62500 -1.0 2.0
   68    45    50    59   3.62500 -1.0 2.0
   68    67    69    70   1.05000 -1.0 2.0
   68    67    69    73  -0.11500  1.0 1.0
   68    67    69    73   1.10450 -1.0 2.0
   68    67    69    73  -0.48050  1.0 3.0
   69    67    68    45   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    73    75    76   7.00000 -1.0 2.0
   69    73    75    77   7.00000 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   1.00000 -1.0 2.0
   73    75   -77    64  -1.65800  1.0 1.0
   73    75   -77    64   0.77650 -1.0 2.0
   73    75    77    78   1.00000 -1.0 2.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   76    75    77    64   1.64500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   77    64    67    68   3.62500 -1.0 2.0
   77    64   -67    69   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   59    50    57    64   3.62500 -1.0 2.0
   46    42    45    50  -0.19450  1.0 1.0
   46    42    45    50   0.63300 -1.0 2.0
   46    42    45    50   0.07450  1.0 3.0
   46    42    45    68  -0.19450  1.0 1.0
   46    42    45    68   0.63300 -1.0 2.0
   46    42    45    68   0.07450  1.0 3.0
   46    51   -63    40   3.62500 -1.0 2.0
   46    51    63    65   3.62500 -1.0 2.0
   51    46    53    54   0.00000  1.0 1.0
   51    46    53    55   0.00000  1.0 1.0
   51    46    53    56   0.00000  1.0 1.0
   51    63    65    66   0.84100 -1.0 2.0
   52    51    63    40   3.62500 -1.0 2.0
   52    51    63    65   3.62500 -1.0 2.0
   63    40   -41    42   3.62500 -1.0 2.0
   63    40    41    43   3.62500 -1.0 2.0
   53    46    51    52   3.62500 -1.0 2.0
   53    46    51    63   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   44    43    47    33   0.30150 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    63    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   50    68    45    42   4.00000 -1.0 2.0
   57    59    50    45   4.00000 -1.0 2.0
   64    58    57    50   1.10000 -1.0 2.0
   67    77    64    57   4.00000 -1.0 2.0
   68    69    67    64   4.00000 -1.0 2.0
   67    71    68    45   4.00000 -1.0 2.0
   67    73    69    70  10.50000 -1.0 2.0
   69    74    73    75   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   64    75    77    78  10.50000 -1.0 2.0
   51    53    46    42   4.00000 -1.0 2.0
   63    52    51    46   1.10000 -1.0 2.0
   51    65    63    40   4.00000 -1.0 2.0
   41    47    43    44  10.50000 -1.0 2.0
END
