* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    140    216     402
    1     0 S   NP   _N1_     1    29.08075    95.51876   -26.42136
    2     1 S   H    _HN1     2     1.02950    73.48972    12.36289
    3     1 S   H    _H1_     3     1.02828    33.64677  -164.26674
    4     1 S   H    _H2_     4     1.02788   121.20208   -89.44773
    5     1 S   CT   _CA1     5     1.50109   122.03070   116.46562
    6     5 S   HC   _HA1     6     1.09574   105.19298    94.84158
    7     5 S   CO3  _C1_     7     1.53781   112.47886   -25.40767
    8     7 S   O2Z  _O11     8     1.26372   115.00657   -42.48198
    9     7 S   O2Z  _O12     9     1.26240   114.94214   136.66033
   10     5 S   CT   _CB1    10     1.53076   107.42365  -147.16724
   11    10 S   HC   HB11    11     1.09835   109.36667   -49.64646
   12    10 S   HC   HB12    12     1.09813   110.45408    66.96146
   13    10 S   CT   _CG1    13     1.52998   112.60734  -170.60912
   14    13 S   HC   HG11    14     1.09578   110.66182   -65.99592
   15    13 S   HC   HG12    15     1.09671   109.75815    53.23965
   16    13 S   C    _CD1    16     1.51799   112.17919   173.70733
   17    16 S   O    _OE1    17     1.22735   123.26799     8.35503
   18    16 S   N    _N2_    18     1.38659   111.70844  -171.75707
   19    18 S   H    _HN2    19     1.01583   118.93355     1.68354
   20    18 S   CT1  _CA2    20     1.46199   123.37659   177.09755
   21    20 S   HC   _HA2    21     1.09737   109.33986     3.80251
   22    20 S   C    _C2_    22     1.53583   108.65270  -111.66195
   23    22 S   O    _O2_    23     1.23060   122.26708  -148.14834
   24    20 S   CT   _CB2    32     1.53291   111.61569   125.80827
   25    24 S   HC   HB21    33     1.09582   110.14893    56.35810
   26    24 S   HC   HB22    34     1.09511   110.16712   175.44981
   27    22 S   N    _N3_    24     1.38322   113.74157    39.30761
   28    27 S   H    _HN3    25     1.01574   119.60504    -3.25943
   29    24 S   S    _SG2    35     1.82553   111.64132   -64.63134
   30    27 S   CT   _CA3    26     1.45288   123.24230   177.16780
   31    30 S   HC   HA31    27     1.09548   107.51067   -64.70828
   32    30 S   HC   HA32    28     1.09556   107.99449    51.74199
   33    29 S   CT   _C23    36     1.82956    98.76797   179.66196
   34    33 S   F    F1__    37     1.36547   108.49637   -56.20403
   35    33 S   F    F2__    38     1.36569   108.41551    57.22899
   36    30 S   CO3  _C3_    29     1.52968   114.05335   173.73994
   37    36 S   O2Z  _O31    30     1.26380   116.06324    -0.60361
   38    36 S   O2Z  _O32    31     1.26425   114.41923   179.45679
   39    33 S   CA   _C11    39     1.51042   110.54837  -179.55369
   40    39 S   CA   _C10    40     1.39019   120.43980   -90.06094
   41    40 S   HA   _H9_    41     1.08750   120.54402    -0.66146
   42    39 S   CA   _C12    50     1.40476   120.23715    89.20709
   43    42 S   HA   _H10    51     1.08514   118.27558    -0.02798
   44    40 S   CA   _C9_    42     1.39613   120.53606   179.05188
   45    44 S   HA   _H8_    43     1.08624   118.16308   179.91844
   46    44 S   C56B _C8_    44     1.41642   120.81849    -0.07913
   47    46 S   C5B  _C7_    45     1.42645   133.78502  -179.29279
   48    47 S   C5A  _C14    46     1.40316   108.89145  -178.75983
   49    48 S   OM   _O35    47     1.22010   132.87244   178.91412
   50    47 S   CO4  _C6_    70     1.47143   127.71117     0.88559
   51    50 S   O    _O34    71     1.22674   124.00010  -165.16295
   52    48 S   NA   _N4_    48     1.42834   106.79528    -0.75017
   53    50 S   OS   _O33    72     1.36697   112.58619    15.43233
   54    46 S   C56A _C13    49     1.39410   118.71172     1.04418
   55    52 S   C    _C15    52     1.44338   129.20092   179.61285
   56    55 S   O    _O36    53     1.22213   119.07869  -170.19484
   57    53 S   CT   _C5_    73     1.43547   116.00153   179.69099
   58    57 S   HC   _H6_    74     1.09542   109.51138   -60.70287
   59    57 S   HC   _H7_    75     1.09545   109.55542    59.70270
   60    55 S   N    _N5_    54     1.38039   113.25377    10.28560
   61    60 S   H    _H11    55     1.01823   117.31532    -1.14021
   62    57 S   CT   _C4_    76     1.51566   108.13174   179.49603
   63    62 S   HC   _H3_    77     1.09507   110.59742   -59.10966
   64    62 S   HC   _H4_    78     1.09504   110.60436    59.08933
   65    62 S   HC   _H5_    79     1.09351   110.92088   179.97202
   66    60 S   CA   _C16    56     1.41461   127.55532   179.27153
   67    66 S   CA   _C17    57     1.40162   116.91003   179.35472
   68    67 S   HA   _H12    58     1.08805   120.53681     0.11869
   69    67 S   CA   _C18    59     1.39746   120.83565  -179.98022
   70    69 S   HA   _H13    60     1.08716   119.18531  -179.57525
   71    69 S   CA   _C19    61     1.39720   120.38625     0.48133
   72    71 S   CA   _C20    62     1.39856   118.83904    -1.20610
   73    72 S   HA   _H14    63     1.08761   120.22703  -178.77827
   74    71 S   CT   _C22    66     1.49857   120.56646  -178.46087
   75    74 S   HC   _H16    67     1.09433   110.01264    88.81719
   76    74 S   HC   _H17    68     1.09511   110.90874  -150.68708
   77    74 S   HC   _H18    69     1.09511   110.92057   -31.67043
   78    66 S   CA   _C21    64     1.39681   124.34821    -0.89787
   79    78 S   HA   _H15    65     1.08396   122.24509    -0.28667
  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   8   3   7   3   9   9   9
   4   8   2   6   7   3   6   3   6   5   4   8   3   3   2   1
   1   9   8   4   9   3   8   7   3   4   2   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    54    42    43  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    44    45    46    52    54    42    43  
   41    44    45    46    47    54    42    43  
   44    45    46    42  
   43    55    44    46    47    48    52    54  
   46    52    54  
   45    46    47    48    52    54    50  
   46    47    54  
   47    48    49    52    54    55    50    51    53  
   48    49    52    54    55    50    51    53    57  
   49    52    54    55    56    60    50    51    53  
   52    54    55    50  
   51    53    57    58    59    62    52    54  
   53    57  
   54    55    56    60    61    66  
   57    58    59    62    63    64    65  
   55    56    60  
   56    60    61    66    67    78  
   60    61    66  
   58    59    62    63    64    65  
   59    62    63    64    65  
   62    63    64    65  
   61    66    67    68    69    72    78    79  
   66    67    78  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    78    79  
   68    69    70    71    72    78    79    74  
   69    70    71    78  
   70    71    72    73    78    74    75    76    77  
   71    72    74  
   72    73    78    79    74    75    76    77  
   73    78    79    74    75    76    77  
   78    79    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79  
    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   0.362500   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  -0.067900   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.234000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.084300   2.5000   1.7750   0.001000000  -0.843144165
   49   3.1500   0.2500  -0.430000   1.7825   1.5750   0.001000000  -0.126889456
   50   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.2500   0.1700  -0.643400   1.8650   1.6500   0.001000000  -0.511443539
   53   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.813700   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.472700   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.106600   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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    42   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.404
   46    47   380.000  1.440
   46    54   447.000  1.419
   47    48   520.000  1.370
   47    50   345.000  1.446
   48    49   485.000  1.345
   48    52   427.000  1.381
   52    54   428.000  1.380
   52    55   320.000  1.420
   54    42   469.000  1.400
   42    43   367.000  1.080
   55    56   570.000  1.229
   55    60   490.000  1.335
   60    61   434.000  1.010
   60    66   360.000  1.404
   66    67   469.000  1.400
   66    78   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   317.000  1.510
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    79   367.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   50    51   570.000  1.229
   50    53   214.000  1.327
   53    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    42    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    44    63.00000  120.00000
   39    42    54    85.00000  120.00000
   39    42    43    35.00000  120.00000
   40    44    45    35.00000  120.00000
   40    44    46    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    46    47    50.00000  134.85500
   44    46    54    85.00000  116.20000
   46    44    45    35.00000  120.00000
   46    47    48    80.00000  105.82900
   46    47    50    50.00000  130.14000
   46    54    52    70.00000  104.40000
   46    54    42    85.00000  122.70000
   47    48    49    65.00000  132.80000
   47    48    52    70.00000  106.30000
   47    50    51    75.00000  126.12000
   47    50    53    90.00000  113.34000
   48    52    54    90.00000  107.14200
   48    52    55    65.00000  122.39000
   52    48    49    90.00000  118.26000
   52    54    42    70.00000  132.80000
   52    55    56    95.00000  116.26000
   52    55    60    80.00000  114.00000
   54    46    47    80.00000  107.43600
   54    42    43    35.00000  120.00000
   42    39    40    63.00000  120.00000
   55    52    54    60.00000  133.22000
   55    60    61    35.00000  119.80000
   55    60    66    65.00000  121.96500
   60    55    56    80.00000  122.90000
   60    66    67    70.00000  119.01900
   60    66    78    70.00000  119.01900
   66    60    61    45.00000  118.23600
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    78    72    63.00000  120.00000
   66    78    79    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    78    63.00000  120.00000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    35.00000  120.00000
   78    66    67    63.00000  120.00000
   78    72    73    35.00000  120.00000
   74    71    72    70.00000  120.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   50    47    48    60.00000  123.95000
   50    53    57    83.00000  116.90000
   53    50    51    83.00000  123.40000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    62    50.00000  109.50000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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    42  -0.16000  1.0 1.0
   29    33    39    42  -0.03200 -1.0 2.0
   29    33    39    42   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    44   3.62500 -1.0 2.0
   33    39    42    54   3.62500 -1.0 2.0
   33    39    42    43   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.00000  1.0 1.0
   39    40    44    45   3.62500 -1.0 2.0
   39    40    44    46   3.62500 -1.0 2.0
   40    39    42    54   3.62500 -1.0 2.0
   40    39    42    43   3.62500 -1.0 2.0
   40    44    46    47   3.62500 -1.0 2.0
   40    44   -46    54   3.50000 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    46   3.62500 -1.0 2.0
   44    46    47    48   3.62500 -1.0 2.0
   44    46    47    50   3.62500 -1.0 2.0
   44    46    54    52   3.00000 -1.0 2.0
   44    46    54    42   3.00000 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    54   3.50000 -1.0 2.0
   46    47    48    49   3.62500 -1.0 2.0
   46    47   -48    52   3.62500 -1.0 2.0
   46    47    50    51   1.05000 -1.0 2.0
   46    47    50    53   0.98750 -1.0 2.0
   46    54   -42    39   3.62500 -1.0 2.0
   46    54    42    43   3.62500 -1.0 2.0
   47    46   -54    52   3.00000 -1.0 2.0
   47    46    54    42   3.00000 -1.0 2.0
   47    48   -52    54   3.62500 -1.0 2.0
   47    48    52    55   3.62500 -1.0 2.0
   47    50    53    57   0.59950  1.0 1.0
   47    50    53    57   3.24850 -1.0 2.0
   48    47    50    51   1.05000 -1.0 2.0
   48    47    50    53   0.98750 -1.0 2.0
   48    52   -54    46   3.62500 -1.0 2.0
   48    52    54    42   3.62500 -1.0 2.0
   48    52    55    56   2.25000 -1.0 2.0
   48    52    55    60   2.25000 -1.0 2.0
   49    48    52    54   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    54    42    39   3.62500 -1.0 2.0
   52    54    42    43   3.62500 -1.0 2.0
   52    55    60    61   2.56700 -1.0 2.0
   52    55    60    66   2.45000 -1.0 2.0
   54    46   -47    48   3.50000 -1.0 2.0
   54    46    47    50   3.62500 -1.0 2.0
   54    52    55    56   2.25000 -1.0 2.0
   54    52    55    60   2.25000 -1.0 2.0
   42    39    40    41   3.62500 -1.0 2.0
   42    39   -40    44   3.62500 -1.0 2.0
   55    52    54    46   3.62500 -1.0 2.0
   55    52    54    42   3.62500 -1.0 2.0
   55    60    66    67   1.00100  1.0 1.0
   55    60    66    67   0.85050 -1.0 2.0
   55    60    66    78   1.00100  1.0 1.0
   55    60    66    78   0.85050 -1.0 2.0
   56    55    60    61   2.45000 -1.0 2.0
   56    55    60    66   0.04000 -1.0 2.0
   60    66    67    68   3.62500 -1.0 2.0
   60    66    67    69   3.62500 -1.0 2.0
   60    66    78    72   3.62500 -1.0 2.0
   60    66    78    79   3.62500 -1.0 2.0
   61    60    66    67   0.97800 -1.0 2.0
   61    60    66    78   0.97800 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    78    72   3.62500 -1.0 2.0
   67    66    78    79   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    74   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    78   3.62500 -1.0 2.0
   69    71    74    75   0.00000  1.0 1.0
   69    71    74    76   0.00000  1.0 1.0
   69    71    74    77   0.00000  1.0 1.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72   -78    66   3.62500 -1.0 2.0
   71    72    78    79   3.62500 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   73    72    78    66   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   78    66    67    68   3.62500 -1.0 2.0
   78    66   -67    69   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    78   3.62500 -1.0 2.0
   50    47    48    49   3.62500 -1.0 2.0
   50    47    48    52   3.62500 -1.0 2.0
   50    53    57    58   0.08050  1.0 3.0
   50    53    57    59   0.08050  1.0 3.0
   50    53    57    62  -0.25900  1.0 1.0
   50    53    57    62  -0.47000 -1.0 2.0
   50    53    57    62   0.11750  1.0 3.0
   51    50    53    57   3.00000 -1.0 2.0
   53    57    62    63   0.23400  1.0 3.0
   53    57    62    64   0.23400  1.0 3.0
   53    57    62    65   0.23400  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    42    39    33   4.00000 -1.0 2.0
   44    41    40    39   1.10000 -1.0 2.0
   46    45    44    40   1.10000 -1.0 2.0
   47    54    46    44   4.00000 -1.0 2.0
   48    50    47    46   4.00000 -1.0 2.0
   52    49    48    47   4.00000 -1.0 2.0
   54    55    52    48   4.00000 -1.0 2.0
   52    42    54    46   4.00000 -1.0 2.0
   54    43    42    39   1.10000 -1.0 2.0
   52    60    55    56  10.50000 -1.0 2.0
   61    55    60    66   1.00000 -1.0 2.0
   67    78    66    60   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   78    73    72    71   1.10000 -1.0 2.0
   72    79    78    66   1.10000 -1.0 2.0
   47    53    50    51  10.50000 -1.0 2.0
END
