* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    143    236     426
    1     0 S   NP   _N1_     1    29.22473    95.64532   -18.84030
    2     1 S   H    _HN1     2     1.02765    71.87482   -82.45727
    3     1 S   H    _H1_     3     1.02962    93.97617    25.67736
    4     1 S   H    _H2_     4     1.02832    45.01688   135.63790
    5     1 S   CT   _CA1     5     1.50253   151.27710   173.79575
    6     5 S   HC   _HA1     6     1.09558   105.13002    31.60762
    7     5 S   CO3  _C1_     7     1.54068   112.53358   -88.31598
    8     7 S   O2Z  _O11     8     1.26377   114.96572   -29.79024
    9     7 S   O2Z  _O12     9     1.26283   115.18915   149.15485
   10     5 S   CT   _CB1    10     1.53144   107.33834   149.82408
   11    10 S   HC   HB11    11     1.09812   109.80950   -44.09652
   12    10 S   HC   HB12    12     1.09817   110.14230    72.61276
   13    10 S   CT   _CG1    13     1.52935   112.64080  -165.05652
   14    13 S   HC   HG11    14     1.09355   110.40510   -56.82268
   15    13 S   HC   HG12    15     1.09622   110.19211    62.08967
   16    13 S   C    _CD1    16     1.51763   112.22734  -177.80073
   17    16 S   O    _OE1    17     1.22724   123.10360   -20.28674
   18    16 S   N    _N2_    18     1.38538   111.61026   161.03576
   19    18 S   H    _HN2    19     1.01569   118.99854     0.79697
   20    18 S   CT1  _CA2    20     1.46205   123.73299  -177.49978
   21    20 S   HC   _HA2    21     1.09724   109.49365   -12.74655
   22    20 S   C    _C2_    22     1.53443   108.16829  -128.44320
   23    22 S   O    _O2_    23     1.23006   122.39265  -145.95383
   24    20 S   CT   _CB2    32     1.53441   110.85687   109.50656
   25    24 S   HC   HB21    33     1.09398   109.29751    52.74689
   26    24 S   HC   HB22    34     1.09509   110.61628   171.20989
   27    22 S   N    _N3_    24     1.38568   113.32238    41.51298
   28    27 S   H    _HN3    25     1.01526   118.85579    -0.60877
   29    24 S   S    _SG2    35     1.83309   111.22400   -69.94408
   30    27 S   CT   _CA3    26     1.45436   123.44053   175.26488
   31    30 S   HC   HA31    27     1.09525   109.22692    24.75468
   32    30 S   HC   HA32    28     1.09497   107.12563   141.72660
   33    29 S   CT   _C20    36     1.85676   101.95133   148.56449
   34    33 S   OM   _O39    37     1.32280   109.33171    57.77103
   35    30 S   CO3  _C3_    29     1.52912   113.11396   -98.73498
   36    35 S   O2Z  _O31    30     1.26403   115.39551   -45.61672
   37    35 S   O2Z  _O32    31     1.26356   115.00178   135.36034
   38    33 S   CO4  _C19    38     1.54730   107.05589   169.43552
   39    38 S   O    _O36    39     1.23640   122.23380   -49.32287
   40    33 S   CT   _C21    71     1.55435   114.26590   -65.61093
   41    40 S   HC   _H4_    72     1.10290   108.24735    76.52454
   42    38 S   CT   _C17    40     1.53894   117.09458   128.43281
   43    42 S   HC   _H3_    41     1.09896   104.34956   -71.73096
   44    40 S   C    _C23    73     1.53881   116.64211   -41.69735
   45    44 S   O    _O38    74     1.22738   124.93398   -18.97825
   46    42 S   CT   _C18    42     1.53290   112.15880   174.59912
   47    46 S   HC   _H11    43     1.09864   108.18071   157.98145
   48    46 S   HC   _H12    44     1.09691   108.32086    42.56814
   49    44 S   N    _N4_    75     1.37912   112.99060   161.73312
   50    49 S   H    _H13    76     1.01455   122.30226     2.64545
   51    49 S   H    _H14    77     1.01589   120.48168   179.15884
   52    46 S   CA   _C6_    45     1.51686   116.23659   -81.43037
   53    52 S   CA   _C7_    46     1.40484   121.24532   -19.39077
   54    53 S   CA   _C8_    47     1.43447   121.73725  -174.39437
   55    54 S   OM   _O34    48     1.28436   121.60124   171.83245
   56    53 S   CO4  _C15    65     1.52647   118.14161     5.53463
   57    56 S   O    _O35    66     1.23202   120.29093   159.46189
   58    54 S   CA   _C9_    49     1.45981   117.34189    -8.02805
   59    42 S   CT   _C16    67     1.52801   111.08586    48.09287
   60    59 S   OM   _O40    68     1.32184   110.69376  -167.96107
   61    58 S   CA   _C10    50     1.43415   121.36707     3.08813
   62    59 S   CO4  _C22    69     1.54577   111.46636   -51.68863
   63    62 S   O    _O37    70     1.23751   122.87810  -171.81403
   64    52 S   CA   _C5_    51     1.42025   119.21618   164.02208
   65    61 S   CA   _C11    56     1.44654   117.10430  -173.21384
   66    65 S   Cl   Cl1_    57     1.74272   124.20370   167.65052
   67    64 S   CT   _C4_    52     1.51826   117.61470     7.42471
   68    67 S   HC   _H5_    53     1.09356   110.70719   -94.09227
   69    67 S   HC   _H6_    54     1.09386   112.60606    27.06108
   70    67 S   HC   _H7_    55     1.09396   110.94022   141.69935
   71    65 S   CA   _C12    58     1.39796   123.08718    -6.54395
   72    71 S   HA   _H8_    59     1.08717   121.32988  -179.35139
   73    71 S   CA   _C13    60     1.37245   119.66106     1.89981
   74    73 S   HA   _H9_    61     1.08599   120.22147  -179.96574
   75    58 S   CA   _C14    62     1.43952   122.21566  -176.70384
   76    75 S   OH   _O33    63     1.38014   122.96413    -2.32810
   77    76 S   HO   _H10    64     0.97523   107.33876     0.15323
  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
  14   7   2   1   1  14   5  12   6  13   8   7   4  12   5   4
   3   1   1  14  12  11   4   7   3  11   3   2  12   1   1   8
   7   3   3   2   1   1   5   3   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    62    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    59    62    63    40    41    44    45    49  
   38    39    42    62    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    56    59    60    62    40    41    44  
   42    43    46    59    40  
   41    44    45    49    50    51    42    56    59    60    62    63  
   44    45    49    59    62    63  
   43    46    47    48    52    53    64    56    57    59    60    62    63  
   46    47    48    52    56    59    60    62  
   45    49    50    51    59    62    63  
   49    50    51    62  
   47    48    52    53    54    61    64    67    56    59    60    62  
   48    52    53    64    59  
   52    53    64    59  
   50    51    62  
   51  
    0  
   53    54    55    58    61    64    67    68    69    70    65    56    57    59  
   54    55    58    61    64    67    75    56    57    59    60    62  
   55    58    61    64    65    73    75    76    56    57    59  
   58    61    75    56  
   57    59    60    62    63    58    64  
   59    60    62  
   61    64    67    65    66    71    73    74    75    76    77  
   60    62    63  
   62    63  
   64    67    68    69    70    65    66    71    72    73    75    76  
   63  
    0  
   67    68    69    70    65    66    71    75  
   66    71    72    73    74    75    67  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75    76    77  
   75    76  
   76    77  
   77  
    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  -0.012500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.470000   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   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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
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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    59   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    64   469.000  1.400
   53    54   469.000  1.400
   53    56   310.000  1.470
   54    55   450.000  1.364
   54    58   469.000  1.400
   58    61   469.000  1.400
   58    75   469.000  1.400
   61    64   469.000  1.400
   61    65   469.000  1.400
   64    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   65    66   300.000  1.725
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   56    57   570.000  1.229
   56    59   317.000  1.522
   59    60   570.000  1.307
   59    62   317.000  1.522
   62    63   570.000  1.229
   62    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    59    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    59    56    63.00000  111.10000
   42    59    60    50.00000  109.50000
   42    59    62    63.00000  111.10000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    64    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    56    60.00000  119.52600
   52    64    61    63.00000  120.00000
   52    64    67    70.00000  120.00000
   53    54    55    70.00000  120.00000
   53    54    58    63.00000  120.00000
   53    56    57    75.00000  123.78400
   53    56    59    65.00000  115.47100
   54    58    61    63.00000  120.00000
   54    58    75    63.00000  120.00000
   58    54    55    70.00000  120.00000
   58    61    64    63.00000  120.00000
   58    61    65    63.00000  120.00000
   58    75    73    63.00000  120.00000
   58    75    76    70.00000  120.00000
   61    64    67    70.00000  120.00000
   61    65    66    75.00000  120.00000
   61    65    71    63.00000  120.00000
   64    52    53    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   65    61    64    63.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    73    63.00000  120.00000
   71    65    66    75.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  120.00000
   75    58    61    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  113.00000
   56    53    54    60.00000  119.52600
   56    59    60    90.00000  108.74100
   56    59    62    75.00000  107.99600
   59    42    43    37.50000  110.70000
   59    42    46    58.35000  112.70000
   59    56    57    80.00000  120.40000
   59    62    63    80.00000  120.40000
   59    62    40    70.00000  116.00000
   62    59    60    90.00000  108.74100
   62    40    41    35.00000  109.50000
   62    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    62    63    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    35.00000  120.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    62   0.56750  1.0 1.0
   29    33    40    62  -0.07550 -1.0 2.0
   29    33    40    62   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    59   0.60050  1.0 1.0
   33    38    42    59   0.05600 -1.0 2.0
   33    38    42    59   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    62  -0.09450  1.0 1.0
   34    33    40    62  -1.12950 -1.0 2.0
   34    33    40    62   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    62   0.11950  1.0 1.0
   38    33    40    62   0.20300 -1.0 2.0
   38    33    40    62  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    59    56   0.11950  1.0 1.0
   38    42    59    56   0.20300 -1.0 2.0
   38    42    59    56  -0.70800  1.0 3.0
   38    42    59    60  -0.09450  1.0 1.0
   38    42    59    60  -1.12950 -1.0 2.0
   38    42    59    60   0.54000  1.0 3.0
   38    42   -59    62   0.11950  1.0 1.0
   38    42   -59    62   0.20300 -1.0 2.0
   38    42   -59    62  -0.70800  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    59   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    64   0.04150 -1.0 2.0
   42    59    62    63   0.30150 -1.0 2.0
   42    59    62    40   0.60050  1.0 1.0
   42    59    62    40   0.05600 -1.0 2.0
   42    59    62    40   0.26150  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    59    56  -0.11250  1.0 3.0
   43    42    59    60   0.23400  1.0 3.0
   43    42    59    62  -0.11250  1.0 3.0
   46    42    59    56  -0.95700  1.0 1.0
   46    42    59    56  -0.18200 -1.0 2.0
   46    42    59    56   0.29450  1.0 3.0
   46    42    59    60   0.62750  1.0 1.0
   46    42    59    60  -0.30950 -1.0 2.0
   46    42    59    60   0.27300  1.0 3.0
   46    42    59    62  -0.95700  1.0 1.0
   46    42    59    62  -0.18200 -1.0 2.0
   46    42    59    62   0.29450  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    56   3.62500 -1.0 2.0
   46    52    64    61   3.62500 -1.0 2.0
   46    52    64    67   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    64   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    64   0.00000  1.0 1.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    56    57   1.05000 -1.0 2.0
   52    53    56    59   2.26350  1.0 1.0
   52    53    56    59   0.76750 -1.0 2.0
   52    53    56    59   0.22500  1.0 3.0
   52    64    67    68   0.00000  1.0 1.0
   52    64    67    69   0.00000  1.0 1.0
   52    64    67    70   0.00000  1.0 1.0
   53    52    64    61   3.62500 -1.0 2.0
   53    52    64    67   3.62500 -1.0 2.0
   53    54   -58    61   3.62500 -1.0 2.0
   53    54    58    75   3.62500 -1.0 2.0
   53    56   -59    42   0.05850 -1.0 2.0
   53    56   -59    42   0.17250  1.0 3.0
   53    56    59    60   0.65300  1.0 1.0
   53    56    59    60  -0.03850 -1.0 2.0
   53    56    59    60   0.33900  1.0 3.0
   53    56    59    62   0.65300  1.0 1.0
   53    56    59    62  -0.03850 -1.0 2.0
   53    56    59    62   0.33900  1.0 3.0
   54    53    56    57   1.05000 -1.0 2.0
   54    53    56    59   2.26350  1.0 1.0
   54    53    56    59   0.76750 -1.0 2.0
   54    53    56    59   0.22500  1.0 3.0
   54    58    61    64   3.62500 -1.0 2.0
   54    58    61    65   3.62500 -1.0 2.0
   54    58    75    73   3.62500 -1.0 2.0
   54    58    75    76   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   55    54    58    75   3.62500 -1.0 2.0
   58    61   -64    52   3.62500 -1.0 2.0
   58    61    64    67   3.62500 -1.0 2.0
   58    61    65    66   3.62500 -1.0 2.0
   58    61    65    71   3.62500 -1.0 2.0
   58    75    76    77   0.84100 -1.0 2.0
   61    58    75    73   3.62500 -1.0 2.0
   61    58    75    76   3.62500 -1.0 2.0
   61    64    67    68   0.00000  1.0 1.0
   61    64    67    69   0.00000  1.0 1.0
   61    64    67    70   0.00000  1.0 1.0
   61    65    71    72   3.62500 -1.0 2.0
   61    65   -71    73   3.62500 -1.0 2.0
   64    52   -53    54   3.62500 -1.0 2.0
   64    52    53    56   3.62500 -1.0 2.0
   64    61    65    66   3.62500 -1.0 2.0
   64    61    65    71   3.62500 -1.0 2.0
   65    61    64    52   3.62500 -1.0 2.0
   65    61    64    67   3.62500 -1.0 2.0
   65    71    73    74   3.62500 -1.0 2.0
   65    71    73    75   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    73   3.62500 -1.0 2.0
   71    73   -75    58   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   0.84100 -1.0 2.0
   74    73    75    58   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    58    61    64   3.62500 -1.0 2.0
   75    58   -61    65   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    58   3.62500 -1.0 2.0
   56    59    62    63   0.30150 -1.0 2.0
   56    59    62    40   0.65300  1.0 1.0
   56    59    62    40  -0.03850 -1.0 2.0
   56    59    62    40   0.33900  1.0 3.0
   57    56    59    42   0.30150 -1.0 2.0
   57    56    59    60   0.30150 -1.0 2.0
   57    56    59    62   0.30150 -1.0 2.0
   59    42    46    47   0.15000  1.0 3.0
   59    42    46    48   0.15000  1.0 3.0
   59    42   -46    52  -0.03700  1.0 1.0
   59    42   -46    52   0.37200 -1.0 2.0
   59    42   -46    52  -0.47300  1.0 3.0
   59    62   -40    33   0.60050  1.0 1.0
   59    62   -40    33   0.05600 -1.0 2.0
   59    62   -40    33   0.26150  1.0 3.0
   59    62    40    41   0.00000  1.0 1.0
   59    62    40    44   0.65300  1.0 1.0
   59    62    40    44  -0.03850 -1.0 2.0
   59    62    40    44   0.33900  1.0 3.0
   60    59    62    63   0.30150 -1.0 2.0
   60    59    62    40   0.55300  1.0 1.0
   60    59    62    40   1.25850 -1.0 2.0
   60    59    62    40  -0.23600  1.0 3.0
   62    40    44    45   0.30150 -1.0 2.0
   62    40    44    49   0.00000  1.0 1.0
   63    62    40    33   0.30150 -1.0 2.0
   63    62    40    41   0.00000  1.0 1.0
   63    62    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   53    64    52    46   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   58    55    54    53   4.00000 -1.0 2.0
   61    75    58    54   4.00000 -1.0 2.0
   64    65    61    58   4.00000 -1.0 2.0
   61    67    64    52   4.00000 -1.0 2.0
   71    66    65    61   4.00000 -1.0 2.0
   73    72    71    65   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    58   4.00000 -1.0 2.0
   53    59    56    57  10.50000 -1.0 2.0
   59    40    62    63  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
