* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    142    228     416
    1     0 S   NP   _N1_     1    28.82978    94.60741   -23.97710
    2     1 S   H    _HN1     2     1.02951    84.05902    12.92955
    3     1 S   H    _H1_     3     1.02829    24.92163   170.53440
    4     1 S   H    _H2_     4     1.02783   107.47958   -94.48793
    5     1 S   CT   _CA1     5     1.50121   129.70917   124.57312
    6     5 S   HC   _HA1     6     1.09573   105.19599    78.11500
    7     5 S   CO3  _C1_     7     1.53787   112.44944   -42.10210
    8     7 S   O2Z  _O11     8     1.26371   114.99910   -42.39124
    9     7 S   O2Z  _O12     9     1.26241   114.94911   136.71216
   10     5 S   CT   _CB1    10     1.53080   107.41171  -163.91495
   11    10 S   HC   HB11    11     1.09832   109.35504   -49.83155
   12    10 S   HC   HB12    12     1.09814   110.44450    66.76574
   13    10 S   CT   _CG1    13     1.52989   112.62701  -170.82733
   14    13 S   HC   HG11    14     1.09584   110.60190   -65.59023
   15    13 S   HC   HG12    15     1.09670   109.81594    53.64510
   16    13 S   C    _CD1    16     1.51805   112.24607   174.07110
   17    16 S   O    _OE1    17     1.22732   123.29698     5.71141
   18    16 S   N    _N2_    18     1.38657   111.65821  -174.33178
   19    18 S   H    _HN2    19     1.01582   118.93667     1.69327
   20    18 S   CT1  _CA2    20     1.46194   123.38005   177.73964
   21    20 S   HC   _HA2    21     1.09740   109.37792     1.86572
   22    20 S   C    _C2_    22     1.53553   108.62946  -113.61371
   23    22 S   O    _O2_    23     1.23062   122.25657  -148.11847
   24    20 S   CT   _CB2    32     1.53510   111.58234   123.91203
   25    24 S   HC   HB21    33     1.09369   109.54028    56.70689
   26    24 S   HC   HB22    34     1.09420   109.55756   175.60185
   27    22 S   N    _N3_    24     1.38323   113.71309    39.34461
   28    27 S   H    _HN3    25     1.01590   119.58068    -3.40634
   29    24 S   S    _SG2    35     1.82898   111.10054   -64.99836
   30    27 S   CT   _CA3    26     1.45289   123.19894   177.07765
   31    30 S   HC   HA31    27     1.09550   107.51096   -64.47626
   32    30 S   HC   HA32    28     1.09557   107.98061    51.95633
   33    29 S   CT   _C5_    36     1.86632   102.57714   172.12917
   34    30 S   CO3  _C3_    29     1.52956   114.09123   173.95042
   35    34 S   O2Z  _O31    30     1.26376   116.06353    -0.77556
   36    34 S   O2Z  _O32    31     1.26431   114.41099   179.28701
   37    33 S   CT   _C7_    37     1.56231   109.05942   174.06898
   38    37 S   HC   _H3_    38     1.10144   108.25362   173.41691
   39    33 S   CT   _C4_    69     1.54198   108.42808   -68.15505
   40    39 S   HC   _H4_    70     1.09453   112.23115    68.43126
   41    39 S   HC   _H5_    71     1.09654   110.76820  -172.74775
   42    39 S   HC   _H6_    72     1.09603   112.10983   -53.20389
   43    33 S   CT   _C6_    73     1.54349   110.29235    52.53037
   44    43 S   HC   _H7_    74     1.09456   111.56746   -67.64650
   45    43 S   HC   _H8_    75     1.09546   111.57925    53.72360
   46    37 S   CT   _C8_    39     1.53951   116.20866   -65.10794
   47    46 S   HC   _H10    40     1.09218   112.21217    32.05559
   48    46 S   HC   _H11    41     1.09324   110.28779   -91.12956
   49    37 S   OS   _O36    49     1.45010   111.06304    58.45308
   50    43 S   OH   _O33    76     1.42514   110.58656   173.53410
   51    50 S   HO   _H9_    77     0.97272   107.09141   178.98124
   52    46 S   CA   _C9_    42     1.49041   100.53366   149.09492
   53    52 S   CA   _C14    43     1.40170   131.57940   165.37822
   54    53 S   CA   _C13    44     1.42139   115.87212  -177.26112
   55    53 S   NE   _N4_    64     1.41125   125.19619     1.00891
   56    54 S   CA   _C12    45     1.41437   121.62403    -4.00169
   57    54 S   CO4  _C21    52     1.48690   118.26260   175.25014
   58    57 S   O    _O34    53     1.22524   120.99419   170.78452
   59    55 S   CT   _C22    65     1.46319   119.80132    23.70955
   60    59 S   HC   _H17    66     1.09448   110.89009   -90.41192
   61    59 S   HC   _H18    67     1.09660   112.43809   148.31023
   62    59 S   HC   _H19    68     1.09410   111.71266    32.59389
   63    56 S   CA   _C11    46     1.38815   120.82768     2.00935
   64    63 S   HA   _H12    47     1.08450   121.43614   179.35684
   65    56 S   OH   _O35    50     1.36977   123.47598  -178.80515
   66    65 S   HO   _H20    51     0.97368   108.86746     2.50975
   67    57 S   CA   _C20    54     1.47620   118.95768   -10.56561
   68    52 S   CA   _C10    48     1.39633   107.23311   -14.78779
   69    67 S   CA   _C19    55     1.40190   119.38189  -168.33424
   70    69 S   HA   _H16    56     1.08677   121.15411    -0.28804
   71    69 S   CA   _C18    57     1.39088   119.80334   179.20009
   72    71 S   HA   _H15    58     1.08602   120.16358  -179.70525
   73    71 S   CA   _C17    59     1.39030   119.66479    -0.27196
   74    73 S   HA   _H14    60     1.08657   119.95354  -179.12598
   75    73 S   CA   _C16    61     1.39902   120.21782     0.58817
   76    75 S   HA   _H13    62     1.08705   117.30949  -178.49039
   77    67 S   CA   _C15    63     1.40356   118.83735    11.87909
  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  13   5   4   3
  17   2   1   1  17   8   9   3   2   1   6   3   2   9   5   4
   6   1   1  10  15  13  13   8   9   3   6   3   2   1   4   2
   2   1   8   1   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    49    39    40    41    42    43    44    45    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    52    68    49    39    40    41    42    43    44    45    50    51  
   35    36  
   36  
    0  
   38    46    47    48    52    53    63    68    49    39    40    41    42    43    44    45    50  
   46    47    48    52    68    49    39    43  
   40    41    42    43    44    45    50    46    49  
   41    42    43  
   42    43  
   43  
   44    45    50    51    46    49  
   45    50    51  
   50    51  
   47    48    52    53    54    63    68    49    55  
   48    52    53    68    49  
   52    53    68    49  
   52    53    56    63    64    68  
   51  
    0  
   53    54    56    63    64    68    57    77    55    59  
   54    56    63    68    65    57    58    67    75    77    55    59    60    61    62  
   56    63    64    68    65    66    57    58    67    69    77    55    59  
   59    60    61    62    56    57    67    68    69    73    75    76    77  
   63    64    68    65    66    57    58    67  
   58    67    69    70    71    75    77    63    65  
   67    69    77  
   60    61    62    67    75    77  
   61    62    77  
   62    77  
   77  
   64    68    65    66  
   68    65  
   66    68  
    0  
   69    70    71    72    73    75    76    77  
    0  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   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   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.0020   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   268.000  1.529
   37    49   320.000  1.410
   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    68   469.000  1.400
   53    54   469.000  1.400
   53    55   481.000  1.340
   54    56   469.000  1.400
   54    57   310.000  1.470
   56    63   469.000  1.400
   56    65   450.000  1.364
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    49   450.000  1.364
   65    66   553.000  0.945
   57    58   570.000  1.229
   57    67   310.000  1.470
   67    69   469.000  1.400
   67    77   469.000  1.400
   69    70   367.000  1.080
   69    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   367.000  1.080
   75    77   469.000  1.400
   77    55   481.000  1.340
   55    59   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   320.000  1.410
   50    51   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    37    49    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    50    50.00000  109.50000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    52    70.00000  112.17500
   37    49    68    75.00000  111.00000
   46    37    38    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    68    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    55    70.00000  120.10000
   52    68    63    63.00000  120.00000
   52    68    49    70.00000  120.00000
   53    54    56    63.00000  120.00000
   53    54    57    60.00000  119.52600
   53    55    77    50.00000  129.00000
   53    55    59    50.00000  120.00000
   54    56    63    63.00000  120.00000
   54    56    65    70.00000  120.00000
   54    57    58    75.00000  123.78400
   54    57    67    65.00000  116.00000
   56    63    64    35.00000  120.00000
   56    63    68    63.00000  120.00000
   56    65    66    35.00000  113.00000
   63    68    49    70.00000  120.00000
   68    52    53    63.00000  120.00000
   68    63    64    35.00000  120.00000
   49    37    38    35.00000  109.50000
   49    37    46    50.00000  109.50000
   65    56    63    70.00000  120.00000
   57    54    56    60.00000  119.52600
   57    67    69    60.00000  119.52600
   57    67    77    60.00000  119.52600
   67    57    58    75.00000  123.78400
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   67    77    75    63.00000  120.00000
   67    77    55    70.00000  120.10000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  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    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    55    70.00000  120.10000
   77    67    69    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    55    59    50.00000  120.00000
   55    53    54    70.00000  120.10000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    50    51    55.00000  108.50000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    37    49   0.56750  1.0 1.0
   29    33    37    49  -0.07550 -1.0 2.0
   29    33    37    49   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    50   0.56750  1.0 1.0
   29    33    43    50  -0.07550 -1.0 2.0
   29    33    43    50   0.20000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    52  -0.03700  1.0 1.0
   33    37    46    52   0.37200 -1.0 2.0
   33    37    46    52  -0.47300  1.0 3.0
   33    37    49    68  -0.32850  1.0 1.0
   33    37    49    68  -0.35800 -1.0 2.0
   33    37    49    68   0.33950  1.0 3.0
   33    43    50    51  -0.11600  1.0 1.0
   33    43    50    51  -0.09450 -1.0 2.0
   33    43    50    51   0.21250  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    50   0.86500  1.0 1.0
   37    33    43    50  -0.17500 -1.0 2.0
   37    33    43    50   0.20800  1.0 3.0
   37    46    52    53   0.04150 -1.0 2.0
   37    46   -52    68   0.04150 -1.0 2.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    52   0.43200  1.0 3.0
   38    37    49    68   0.08050  1.0 3.0
   46    37   -49    68  -0.32850  1.0 1.0
   46    37   -49    68  -0.35800 -1.0 2.0
   46    37   -49    68   0.33950  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52    53    55   3.62500 -1.0 2.0
   46    52    68    63   3.62500 -1.0 2.0
   46    52   -68    49   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    68   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    68   0.00000  1.0 1.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    55    77   0.17750 -1.0 2.0
   52    53    55    59  -1.00000  1.0 1.0
   52    53    55    59   1.25000 -1.0 2.0
   52    68   -49    37   1.63200 -1.0 2.0
   53    52    68    63   3.62500 -1.0 2.0
   53    52    68    49   3.62500 -1.0 2.0
   53    54   -56    63   3.62500 -1.0 2.0
   53    54    56    65   3.62500 -1.0 2.0
   53    54    57    58   1.05000 -1.0 2.0
   53    54    57    67   0.56600 -1.0 2.0
   53    55    59    60   0.00000  1.0 1.0
   53    55    59    61   0.00000  1.0 1.0
   53    55    59    62   0.00000  1.0 1.0
   54    53    55    77   0.17750 -1.0 2.0
   54    53    55    59  -1.00000  1.0 1.0
   54    53    55    59   1.25000 -1.0 2.0
   54    56    63    64   3.62500 -1.0 2.0
   54    56    63    68   3.62500 -1.0 2.0
   54    56    65    66   0.84100 -1.0 2.0
   54    57    67    69   0.56600 -1.0 2.0
   54    57   -67    77   0.56600 -1.0 2.0
   56    54    57    58   1.05000 -1.0 2.0
   56    54    57    67   0.56600 -1.0 2.0
   56    63   -68    52   3.62500 -1.0 2.0
   56    63    68    49   3.62500 -1.0 2.0
   63    56    65    66   0.84100 -1.0 2.0
   63    68    49    37   1.63200 -1.0 2.0
   64    63    68    52   3.62500 -1.0 2.0
   64    63    68    49   3.62500 -1.0 2.0
   68    52   -53    54   3.62500 -1.0 2.0
   68    52    53    55   3.62500 -1.0 2.0
   49    37    46    47   0.23400  1.0 3.0
   49    37    46    48   0.23400  1.0 3.0
   49    37   -46    52  -0.64350  1.0 1.0
   49    37   -46    52  -0.04200 -1.0 2.0
   49    37   -46    52   0.19800  1.0 3.0
   65    56    63    64   3.62500 -1.0 2.0
   65    56    63    68   3.62500 -1.0 2.0
   57    54    56    63   3.62500 -1.0 2.0
   57    54    56    65   3.62500 -1.0 2.0
   57    67    69    70   3.62500 -1.0 2.0
   57    67    69    71   3.62500 -1.0 2.0
   57    67    77    75   3.62500 -1.0 2.0
   57    67    77    55   3.62500 -1.0 2.0
   58    57    67    69   1.05000 -1.0 2.0
   58    57    67    77   1.05000 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   67    77   -55    53   0.17750 -1.0 2.0
   67    77    55    59  -1.00000  1.0 1.0
   67    77    55    59   1.25000 -1.0 2.0
   69    67    77    75   3.62500 -1.0 2.0
   69    67    77    55   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   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   -77    67   3.62500 -1.0 2.0
   73    75    77    55   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    55    53   0.17750 -1.0 2.0
   75    77    55    59  -1.00000  1.0 1.0
   75    77    55    59   1.25000 -1.0 2.0
   76    75    77    67   3.62500 -1.0 2.0
   76    75    77    55   3.62500 -1.0 2.0
   77    67    69    70   3.62500 -1.0 2.0
   77    67   -69    71   3.62500 -1.0 2.0
   77    55    59    60   0.00000  1.0 1.0
   77    55    59    61   0.00000  1.0 1.0
   77    55    59    62   0.00000  1.0 1.0
   55    53    54    56   3.62500 -1.0 2.0
   55    53   -54    57   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46   0.56750  1.0 1.0
   39    33    37    46  -0.07550 -1.0 2.0
   39    33    37    46   0.20000  1.0 3.0
   39    33    37    49   0.62750  1.0 1.0
   39    33    37    49  -0.30950 -1.0 2.0
   39    33    37    49   0.27300  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    50   0.86500  1.0 1.0
   39    33    43    50  -0.17500 -1.0 2.0
   39    33    43    50   0.20800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46   0.56750  1.0 1.0
   43    33    37    46  -0.07550 -1.0 2.0
   43    33    37    46   0.20000  1.0 3.0
   43    33    37    49   0.62750  1.0 1.0
   43    33    37    49  -0.30950 -1.0 2.0
   43    33    37    49   0.27300  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   45    43    50    51   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   53    68    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   56    57    54    53   4.00000 -1.0 2.0
   63    65    56    54   4.00000 -1.0 2.0
   68    64    63    56   1.10000 -1.0 2.0
   63    49    68    52   4.00000 -1.0 2.0
   54    67    57    58  10.50000 -1.0 2.0
   69    77    67    57   4.00000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    55    77    67   4.00000 -1.0 2.0
   59    53    55    77   1.00000 -1.0 2.0
END
