* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    140    220     410
    1     0 S   NP   _N1_     1    28.97103    96.89467   -23.58094
    2     1 S   H    _HN1     2     1.02786   106.56884   -96.57976
    3     1 S   H    _H1_     3     1.02952    69.56927     7.32491
    4     1 S   H    _H2_     4     1.02825    40.18784   165.07416
    5     1 S   CT   _CA1     5     1.50154   138.32005   105.36733
    6     5 S   HC   _HA1     6     1.09570   105.15094    95.82090
    7     5 S   CO3  _C1_     7     1.53801   112.50147   -24.30545
    8     7 S   O2Z  _O11     8     1.26357   115.03832   -39.10721
    9     7 S   O2Z  _O12     9     1.26287   115.02869   139.91287
   10     5 S   CT   _CB1    10     1.53080   107.37237  -146.15976
   11    10 S   HC   HB11    11     1.09833   109.40084   -48.39545
   12    10 S   HC   HB12    12     1.09812   110.41040    68.23905
   13    10 S   CT   _CG1    13     1.52967   112.65044  -169.34455
   14    13 S   HC   HG11    14     1.09525   110.58738   -65.88200
   15    13 S   HC   HG12    15     1.09669   109.80196    53.30739
   16    13 S   C    _CD1    16     1.51831   112.26288   173.75760
   17    16 S   O    _OE1    17     1.22732   123.30705     6.46290
   18    16 S   N    _N2_    18     1.38623   111.63254  -173.43272
   19    18 S   H    _HN2    19     1.01562   118.87799     1.63853
   20    18 S   CT1  _CA2    20     1.46331   123.59100   178.68181
   21    20 S   HC   _HA2    21     1.09734   109.38243     5.16869
   22    20 S   C    _C2_    22     1.53577   108.75421  -110.47390
   23    22 S   O    _O2_    23     1.23070   122.28622  -148.33578
   24    20 S   CT   _CB2    32     1.53516   111.19269   127.20883
   25    24 S   HC   HB21    33     1.09273   108.93985    56.55286
   26    24 S   HC   HB22    34     1.09442   110.19858   175.19788
   27    22 S   N    _N3_    24     1.38332   113.77945    39.13016
   28    27 S   H    _HN3    25     1.01570   119.56618    -3.22574
   29    24 S   S    _SG2    35     1.82955   110.63409   -65.20815
   30    27 S   CT   _CA3    26     1.45280   123.22909   177.17603
   31    30 S   HC   HA31    27     1.09549   107.49566   -64.96810
   32    30 S   HC   HA32    28     1.09557   108.00215    51.47211
   33    29 S   CT   _C5_    36     1.86497   102.65049   164.97940
   34    33 S   OM   _O38    37     1.31747   107.25652  -179.22192
   35    30 S   CO3  _C3_    29     1.52962   114.08707   173.48139
   36    35 S   O2Z  _O31    30     1.26375   116.08084    -0.70610
   37    35 S   O2Z  _O32    31     1.26430   114.40802   179.35898
   38    33 S   CT   _C6_    38     1.56860   108.86864   -60.84884
   39    38 S   HC   _H6_    39     1.09927   110.16393    75.06944
   40    38 S   HC   _H7_    40     1.09588   109.26152   -37.93676
   41    33 S   S    _S1_    76     1.85697   110.87768    60.42055
   42    38 S   CA   _C7_    41     1.52591   118.54983  -162.20274
   43    41 S   CT   _C4_    77     1.81628   102.23542    62.27625
   44    43 S   HC   _H3_    78     1.09388   108.30008   179.52770
   45    43 S   HC   _H4_    79     1.09270   111.36898    61.22034
   46    43 S   HC   _H5_    80     1.09219   111.39450   -62.18073
   47    42 S   CA   _C8_    42     1.40221   118.92675   -82.01632
   48    47 S   HA   _H8_    43     1.08968   118.63001    -2.61120
   49    47 S   CA   _C9_    44     1.40689   122.49116   177.44626
   50    49 S   CA   _C10    45     1.40295   119.27803  -179.76179
   51    50 S   HA   _H9_    46     1.09124   118.84275    -0.23070
   52    49 S   CA   _C18    57     1.40956   120.56261    -0.08847
   53    50 S   CA   _C11    47     1.40179   122.37305   179.61285
   54    52 S   CA   _C19    58     1.42511   116.83300     0.53082
   55    53 S   CA   _C12    48     1.40644   119.65859  -180.00000
   56    55 S   HA   _H10    49     1.08877   120.42199    -0.00000
   57    42 S   CA   _C20    59     1.40155   123.55299    97.03574
   58    54 S   OH   _O35    70     1.37598   118.41942  -179.87180
   59    58 S   HO   _H17    71     0.97233   109.61714   160.48840
   60    55 S   CA   _C13    50     1.39241   121.22691   179.98022
   61    60 S   HA   _H11    51     1.08605   120.08145   179.98022
   62    57 S   CO4  _C21    60     1.48023   121.09085     6.29046
   63    62 S   O    _O33    61     1.22649   119.01659  -112.47001
   64    60 S   CA   _C14    52     1.38656   119.68988    -0.01978
   65    64 S   HA   _H12    53     1.08613   119.40536   180.00000
   66    62 S   CT   _C22    62     1.51278   117.03898    74.23408
   67    66 S   HC   _H13    63     1.09673   106.83674    95.37854
   68    66 S   HC   _H14    64     1.09552   110.58010   -21.14300
   69    64 S   CA   _C15    54     1.39740   119.49353    -0.00000
   70    66 S   C    _C23    65     1.51073   114.87200  -143.04412
   71    70 S   O    _O34    66     1.22688   123.80562    23.50685
   72    53 S   CA   _C16    55     1.41069   119.90676    -0.02798
   73    70 S   N    _N4_    67     1.37560   112.92779  -158.35582
   74    73 S   H    _H15    68     1.01370   122.90388     1.01027
   75    73 S   H    _H16    69     1.01800   120.45966  -178.66250
   76    69 S   OH   _O37    74     1.37429   118.32528   180.00000
   77    76 S   HO   _H19    75     0.97287   108.89570    -0.02798
   78    72 S   CA   _C17    56     1.42926   117.18481     0.03956
   79    78 S   OH   _O36    72     1.37881   119.51246   179.94405
   80    79 S   HO   _H18    73     0.97192   109.18287     0.41117
  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   8   5   4   3
  12   6   2   1   1  11   5   4   5  11   3   2   1   1  10   4
  11  10   4  11  10   9   8   4   9   3   1   6   3   7   4   6
   3   7   4   3   5   4   3   5   2   1   1   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    57    41    43    44    45    46  
   38    39    40    42    41    43  
   36    37  
   37  
    0  
   39    40    42    47    48    49    54    57    62    41    43  
   40    42    47    57    41  
   42    47    57    41  
   43    44    45    46    42  
   47    48    49    50    52    54    57    62    63    66    58  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    51    53    78    52    54    57    62  
   49    50    52    57  
   50    51    53    55    72    78    52    54    57    58    79  
   51    53    55    56    60    69    72    78    52    54  
   53    55    72    52  
   54    57    62    58    59    79    80    53    69    72    78  
   55    56    60    61    64    69    72    78    79    76  
   57    62    63    66    58    59    79    72    78  
   56    60    61    64    65    69    72    78  
   60    61    64    72  
   62    63    66    67    68    70    58    59    78  
   59    62    78  
    0  
   61    64    65    69    72    76  
   64    65    69  
   63    66    67    68    70    71    73  
   66    67    68    70  
   65    69    72    78    76    77  
   69    72    76  
   67    68    70    71    73    74    75  
   68    70    71    73  
   70    71    73  
   72    78    79    76    77  
   71    73    74    75  
   73    74    75  
   78    79    80    76    77  
   74    75  
   75  
    0  
   77    78  
    0  
   79    80  
   80  
    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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   74   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   75   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.510
   42    47   469.000  1.400
   42    57   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    52   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    55   469.000  1.400
   53    72   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    72   469.000  1.400
   69    76   450.000  1.364
   72    78   469.000  1.400
   78    52   469.000  1.400
   78    79   450.000  1.364
   52    54   469.000  1.400
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    62   310.000  1.470
   62    63   570.000  1.229
   62    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   317.000  1.522
   70    71   570.000  1.229
   70    73   490.000  1.335
   73    74   434.000  1.010
   73    75   434.000  1.010
   58    59   553.000  0.945
   79    80   553.000  0.945
   76    77   553.000  0.945
   41    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    41    43    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    47    70.00000  120.00000
   38    42    57    70.00000  120.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    47    48    35.00000  120.00000
   42    47    49    63.00000  120.00000
   42    57    54    63.00000  120.00000
   42    57    62    60.00000  119.52600
   47    49    50    63.00000  120.00000
   47    49    52    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    53    63.00000  120.00000
   49    52    78    63.00000  120.00000
   49    52    54    63.00000  120.00000
   50    53    55    63.00000  120.00000
   50    53    72    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    60    63.00000  120.00000
   53    72    69    63.00000  120.00000
   53    72    78    63.00000  120.00000
   55    60    61    35.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    65    35.00000  120.00000
   60    64    69    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    69    72    63.00000  120.00000
   64    69    76    70.00000  120.00000
   69    64    65    35.00000  120.00000
   69    72    78    63.00000  120.00000
   69    76    77    35.00000  113.00000
   72    53    55    63.00000  120.00000
   72    78    52    63.00000  120.00000
   72    78    79    70.00000  120.00000
   78    52    54    63.00000  120.00000
   78    79    80    35.00000  113.00000
   52    49    50    63.00000  120.00000
   52    54    57    63.00000  120.00000
   52    54    58    70.00000  120.00000
   54    57    62    60.00000  119.52600
   54    58    59    35.00000  113.00000
   57    42    47    63.00000  120.00000
   57    62    63    75.00000  123.78400
   57    62    66    65.00000  115.47100
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    70    70.00000  107.85200
   66    62    63    80.00000  120.40000
   66    70    71    80.00000  120.40000
   66    70    73    70.00000  116.60000
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    73    74    35.00000  119.80000
   70    73    75    35.00000  119.80000
   73    70    71    80.00000  122.90000
   75    73    74    35.00000  120.00000
   58    54    57    70.00000  120.00000
   79    78    52    70.00000  120.00000
   76    69    72    70.00000  120.00000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    43   0.08500  1.0 1.0
   29    33    41    43  -0.53150 -1.0 2.0
   29    33    41    43   0.48050  1.0 3.0
   33    38    42    47   0.04150 -1.0 2.0
   33    38    42    57   0.04150 -1.0 2.0
   33    41    43    44   0.32350  1.0 3.0
   33    41    43    45   0.32350  1.0 3.0
   33    41    43    46   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42  -0.64350  1.0 1.0
   34    33    38    42  -0.04200 -1.0 2.0
   34    33    38    42   0.19800  1.0 3.0
   34    33    41    43   0.13850  1.0 1.0
   34    33    41    43  -1.34450 -1.0 2.0
   34    33    41    43   0.57400  1.0 3.0
   38    33    41    43   0.01700  1.0 1.0
   38    33    41    43  -0.23550 -1.0 2.0
   38    33    41    43   0.21350  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   38    42    57    54   3.62500 -1.0 2.0
   38    42    57    62   3.62500 -1.0 2.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    57   0.00000  1.0 1.0
   40    38    42    47   0.00000  1.0 1.0
   40    38    42    57   0.00000  1.0 1.0
   42    47    49    50   3.62500 -1.0 2.0
   42    47    49    52   3.62500 -1.0 2.0
   42    57    62    63   1.05000 -1.0 2.0
   42    57    62    66   2.26350  1.0 1.0
   42    57    62    66   0.76750 -1.0 2.0
   42    57    62    66   0.22500  1.0 3.0
   47    42    57    54   3.62500 -1.0 2.0
   47    42    57    62   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    52    78   3.62500 -1.0 2.0
   47    49   -52    54   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   49    50    53    55   3.62500 -1.0 2.0
   49    50    53    72   3.62500 -1.0 2.0
   49    52    54    57   3.62500 -1.0 2.0
   49    52    54    58   3.62500 -1.0 2.0
   50    49    52    78   3.62500 -1.0 2.0
   50    49    52    54   3.62500 -1.0 2.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    60   3.62500 -1.0 2.0
   50    53    72    69   3.62500 -1.0 2.0
   50    53   -72    78   3.62500 -1.0 2.0
   51    50    53    55   3.62500 -1.0 2.0
   51    50    53    72   3.62500 -1.0 2.0
   53    55    60    61   3.62500 -1.0 2.0
   53    55    60    64   3.62500 -1.0 2.0
   53    72    78    52   3.62500 -1.0 2.0
   53    72    78    79   3.62500 -1.0 2.0
   55    53    72    69   3.62500 -1.0 2.0
   55    53    72    78   3.62500 -1.0 2.0
   55    60    64    65   3.62500 -1.0 2.0
   55    60   -64    69   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64    69    72   3.62500 -1.0 2.0
   60    64    69    76   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   64    69   -72    53   3.62500 -1.0 2.0
   64    69    72    78   3.62500 -1.0 2.0
   64    69    76    77   0.84100 -1.0 2.0
   65    64    69    72   3.62500 -1.0 2.0
   65    64    69    76   3.62500 -1.0 2.0
   69    72    78    52   3.62500 -1.0 2.0
   69    72    78    79   3.62500 -1.0 2.0
   72    53    55    56   3.62500 -1.0 2.0
   72    53   -55    60   3.62500 -1.0 2.0
   72    69    76    77   0.84100 -1.0 2.0
   72    78   -52    49   3.62500 -1.0 2.0
   72    78    52    54   3.62500 -1.0 2.0
   72    78    79    80   0.84100 -1.0 2.0
   78    52    54    57   3.62500 -1.0 2.0
   78    52    54    58   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49   -50    53   3.62500 -1.0 2.0
   52    78    79    80   0.84100 -1.0 2.0
   52    54   -57    42   3.62500 -1.0 2.0
   52    54    57    62   3.62500 -1.0 2.0
   52    54    58    59   0.84100 -1.0 2.0
   54    57    62    63   1.05000 -1.0 2.0
   54    57    62    66   2.26350  1.0 1.0
   54    57    62    66   0.76750 -1.0 2.0
   54    57    62    66   0.22500  1.0 3.0
   57    42    47    48   3.62500 -1.0 2.0
   57    42   -47    49   3.62500 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    62    66    67   0.00000  1.0 1.0
   57    62    66    68   0.00000  1.0 1.0
   57    62    66    70   0.65300  1.0 1.0
   57    62    66    70  -0.03850 -1.0 2.0
   57    62    66    70   0.33900  1.0 3.0
   62    66    70    71   0.30150 -1.0 2.0
   62    66    70    73   0.00000  1.0 1.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    70   0.30150 -1.0 2.0
   66    70    73    74   2.45000 -1.0 2.0
   66    70    73    75   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   68    66    70    71   0.00000  1.0 1.0
   68    66    70    73   0.00000  1.0 1.0
   71    70    73    74   2.45000 -1.0 2.0
   71    70    73    75   2.45000 -1.0 2.0
   58    54    57    42   3.62500 -1.0 2.0
   58    54    57    62   3.62500 -1.0 2.0
   79    78    52    49   3.62500 -1.0 2.0
   79    78    52    54   3.62500 -1.0 2.0
   76    69    72    53   3.62500 -1.0 2.0
   76    69    72    78   3.62500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   47    57    42    38   4.00000 -1.0 2.0
   49    48    47    42   1.10000 -1.0 2.0
   50    52    49    47   4.00000 -1.0 2.0
   53    51    50    49   1.10000 -1.0 2.0
   55    72    53    50   4.00000 -1.0 2.0
   60    56    55    53   1.10000 -1.0 2.0
   64    61    60    55   1.10000 -1.0 2.0
   69    65    64    60   1.10000 -1.0 2.0
   72    76    69    64   4.00000 -1.0 2.0
   69    78    72    53   4.00000 -1.0 2.0
   52    79    78    72   4.00000 -1.0 2.0
   78    54    52    49   4.00000 -1.0 2.0
   57    58    54    52   4.00000 -1.0 2.0
   54    62    57    42   4.00000 -1.0 2.0
   57    66    62    63  10.50000 -1.0 2.0
   66    73    70    71  10.50000 -1.0 2.0
   75    70    73    74   1.00000 -1.0 2.0
END
