* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    148    209     413
    1     0 S   NP   _N1_     1    27.89935    96.92908   -17.65837
    2     1 S   H    _HN1     2     1.02975    47.43538   111.10582
    3     1 S   H    _H1_     3     1.02781    90.00130  -134.21980
    4     1 S   H    _H2_     4     1.02843    72.08014   -24.91727
    5     1 S   CT   _CA1     5     1.50727   153.85654    77.02521
    6     5 S   HC   _HA1     6     1.09535   104.28520    90.64773
    7     5 S   CO3  _C1_     7     1.54389   110.86281   -24.66900
    8     7 S   O2Z  _O11     8     1.25931   116.89318  -129.54409
    9     7 S   O2Z  _O12     9     1.26633   113.66465    49.71314
   10     5 S   CT   _CB1    10     1.53062   106.80741  -153.67506
   11    10 S   HC   HB11    11     1.09847   109.52728   -41.14027
   12    10 S   HC   HB12    12     1.09779   110.17915    75.33359
   13    10 S   CT   _CG1    13     1.53107   112.97577  -161.87675
   14    13 S   HC   HG11    14     1.09365   110.88686   -65.17815
   15    13 S   HC   HG12    15     1.09666   109.96168    54.15829
   16    13 S   C    _CD1    16     1.51900   111.96987   174.25884
   17    16 S   O    _OE1    17     1.22794   123.20079     0.58517
   18    16 S   N    _N2_    18     1.38524   111.97479  -179.03288
   19    18 S   H    _HN2    19     1.01582   119.13124     2.81251
   20    18 S   CT1  _CA2    20     1.45919   122.67642   176.71181
   21    20 S   HC   _HA2    21     1.09726   108.91137    26.34520
   22    20 S   C    _C2_    22     1.52968   106.91997   -90.67477
   23    22 S   O    _O2_    23     1.22984   123.09879   -26.63520
   24    20 S   CT   _CB2    32     1.53135   112.29690   149.70733
   25    24 S   HC   HB21    33     1.09442   109.59217    55.22129
   26    24 S   HC   HB22    34     1.09518   110.41000   173.41025
   27    22 S   N    _N3_    24     1.38507   112.53608   156.06086
   28    27 S   H    _HN3    25     1.01654   120.32240    -2.12909
   29    24 S   S    _SG2    35     1.82798   111.01985   -67.20537
   30    27 S   CT   _CA3    26     1.45343   122.48926   178.58114
   31    30 S   HC   HA31    27     1.09568   107.81164   -55.61898
   32    30 S   HC   HA32    28     1.09562   107.61119    60.71492
   33    29 S   CT   _C5_    36     1.84958   100.91540   151.82284
   34    33 S   OM   _O33    37     1.31892   110.23035   178.93449
   35    30 S   CO3  _C3_    29     1.52888   114.32436  -177.53860
   36    35 S   O2Z  _O31    30     1.26336   116.06661    -0.50706
   37    35 S   O2Z  _O32    31     1.26437   114.40918   179.46222
   38    33 S   CT   _C4_    38     1.54535   107.61305    63.72237
   39    38 S   HC   _H3_    39     1.09685   111.55791   -66.37354
   40    38 S   HC   _H4_    40     1.10001   111.20451   177.11608
   41    38 S   HC   _H5_    41     1.09822   113.24984    56.10425
   42    33 S   OS   _O34    42     1.44859   114.70174   -52.31965
   43    42 S   CA   _C6_    43     1.36851   122.74868   -50.92084
   44    43 S   CA   _C7_    44     1.39383   126.29591   -26.07423
   45    44 S   HA   _H6_    45     1.08457   121.96152    -0.22642
   46    44 S   CA   _C8_    46     1.39928   120.31520   179.89913
   47    46 S   HA   _H7_    47     1.08825   118.51827  -178.81700
   48    46 S   CA   _C9_    48     1.40089   120.79507     0.30710
   49    48 S   CA   _C10    49     1.39988   118.65818     0.06256
   50    49 S   HA   _H8_    50     1.08768   120.73023   179.94405
   51    48 S   CM   _C12    53     1.47118   121.30255  -178.74026
   52    43 S   CA   _C11    51     1.39806   114.64015   154.88569
   53    52 S   HA   _H9_    52     1.08747   120.02311    -0.31027
   54    51 S   CM   _C13    54     1.33933   121.57821   -51.44496
   55    54 S   HC   _H10    55     1.08393   123.29401     0.00000
   56    54 S   CO4  _C14    56     1.47512   119.24621  -178.99595
   57    56 S   O    _O35    57     1.22342   120.06595   176.60944
   58    56 S   CA   _C15    58     1.48024   116.55976    -3.01506
   59    58 S   CA   _C16    59     1.39935   118.00886     3.64868
   60    59 S   CA   _C17    60     1.40015   120.21484   179.47437
   61    51 S   OS   _O36    84     1.38039   113.94731   129.77819
   62    60 S   CA   _C18    61     1.39615   120.19962     1.96224
   63    60 S   OS   _O40    79     1.37266   119.78504   177.81179
   64    62 S   CA   _C19    62     1.39693   119.72515    -4.04196
   65    62 S   OS   _O39    74     1.37090   120.01900   179.26618
   66    63 S   CT   _C24    80     1.42799   110.11092    92.25469
   67    66 S   HC   _H20    81     1.09404   107.78550  -179.87180
   68    66 S   HC   _H21    82     1.09541   111.28013    61.84319
   69    66 S   HC   _H22    83     1.09551   111.29174   -61.61623
   70    58 S   CA   _C20    63     1.40392   122.43870  -175.86962
   71    64 S   OS   _O38    69     1.37243   119.62785  -178.38602
   72    65 S   CT   _C23    75     1.42792   110.00262   -92.38566
   73    72 S   HC   _H17    76     1.09402   107.80532   180.00000
   74    72 S   HC   _H18    77     1.09558   111.27389    61.73058
   75    72 S   HC   _H19    78     1.09549   111.33546   -61.69205
   76    70 S   OS   _O37    64     1.37172   121.01126    -1.33472
   77    71 S   CT   _C22    70     1.42788   110.05068    92.27721
   78    77 S   HC   _H14    71     1.09404   107.79504  -179.84934
   79    77 S   HC   _H15    72     1.09543   111.30428    61.87170
   80    77 S   HC   _H16    73     1.09550   111.27047   -61.58867
   81    76 S   CT   _C21    65     1.42917   110.30543    96.30365
   82    81 S   HC   _H11    66     1.09405   107.72461  -177.85196
   83    81 S   HC   _H12    67     1.09506   111.43670    63.88926
   84    81 S   HC   _H13    68     1.09526   111.34918   -59.64132
  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
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  10
   6   3   9   1   1   7   4   8   3  10   9  12   3  12   6  10
   6   3   2   1   1   7   5   3   2   1   1   4   3   2   1   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    52  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    52    53  
   44    45    46    47    48    49    50    52    53  
   45    46    47    48    49    52    53    51  
   46    47    48    52  
   47    48    49    50    52    51    54    61  
   48    49    51  
   49    50    52    53    51    54    55    56    59    61  
   50    52    53    51    54    61  
   52    53    51  
   54    55    56    57    58    59    60    61    52  
   53  
    0  
   55    56    57    58    59    70    61  
   56    57    58    61  
   57    58    59    60    64    70    76    61  
   58    59    70  
   59    60    62    64    70    76    81    71    63    61  
   60    62    64    70    76    65    63    66    61  
   62    64    70    71    65    72    63    66    67    68    69    61  
   62    63    70  
   64    70    76    71    77    65    72    73    74    75    63    66  
   66    67    68    69    64    65  
   70    76    81    71    77    78    79    80    65    72  
   72    73    74    75    70    71  
   67    68    69  
   68    69  
   69  
    0  
   76    81    82    83    84    71    77  
   77    78    79    80    76  
   73    74    75  
   74    75  
   75  
    0  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    51   320.000  1.460
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   51    54   549.000  1.340
   51    61   440.000  1.360
   54    55   340.000  1.080
   54    56   320.000  1.462
   56    57   570.000  1.229
   56    58   310.000  1.470
   58    59   469.000  1.400
   58    70   469.000  1.400
   59    60   469.000  1.400
   59    61   450.000  1.364
   60    62   469.000  1.400
   60    63   450.000  1.364
   62    64   469.000  1.400
   62    65   450.000  1.364
   64    70   469.000  1.400
   64    71   450.000  1.364
   70    76   450.000  1.364
   76    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   71    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   65    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    49    63.00000  120.00000
   43    52    53    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    51    60.00000  118.70000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    54    60.00000  123.66000
   48    51    61    65.00000  119.00000
   49    52    53    35.00000  120.00000
   52    43    44    63.00000  120.00000
   52    49    50    35.00000  120.00000
   51    48    49    60.00000  118.70000
   51    54    55    35.00000  120.00000
   51    54    56    65.00000  118.96000
   51    61    59    90.00000  114.30300
   54    56    57    80.00000  123.72100
   54    56    58    65.00000  117.02400
   56    54    55    40.00000  117.72500
   56    58    59    60.00000  119.52600
   56    58    70    60.00000  119.52600
   58    56    57    75.00000  123.78400
   58    59    60    63.00000  120.00000
   58    59    61    70.00000  120.00000
   58    70    64    63.00000  120.00000
   58    70    76    70.00000  120.00000
   59    60    62    63.00000  120.00000
   59    60    63    70.00000  120.00000
   60    62    64    63.00000  120.00000
   60    62    65    70.00000  120.00000
   60    63    66    75.00000  111.00000
   62    64    70    63.00000  120.00000
   62    64    71    70.00000  120.00000
   62    65    72    75.00000  111.00000
   64    70    76    70.00000  120.00000
   64    71    77    75.00000  111.00000
   70    58    59    63.00000  120.00000
   70    76    81    75.00000  111.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   71    64    70    70.00000  120.00000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   65    62    64    70.00000  120.00000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    60    62    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   61    51    54    80.00000  120.01400
   61    59    60    70.00000  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    49   3.62500 -1.0 2.0
   42    43    52    53   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    52    49   3.62500 -1.0 2.0
   44    43    52    53   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    51   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    51    54   0.15800  1.0 1.0
   46    48    51    54   1.85350 -1.0 2.0
   46    48    51    54  -0.48700  1.0 3.0
   46    48    51    61  -0.01750  1.0 1.0
   46    48    51    61  -0.32000 -1.0 2.0
   46    48    51    61   0.00600  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   48    49   -52    43   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    51    54    55   7.00000 -1.0 2.0
   48    51    54    56   7.00000 -1.0 2.0
   48    51    61    59   2.00000 -1.0 2.0
   49    48    51    54   0.15800  1.0 1.0
   49    48    51    54   1.85350 -1.0 2.0
   49    48    51    54  -0.48700  1.0 3.0
   49    48    51    61  -0.01750  1.0 1.0
   49    48    51    61  -0.32000 -1.0 2.0
   49    48    51    61   0.00600  1.0 3.0
   50    49    52    43   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    54    56    57   1.00000 -1.0 2.0
   51    54    56    58  -1.65800  1.0 1.0
   51    54    56    58   0.77650 -1.0 2.0
   54    51    61    59   2.00000 -1.0 2.0
   54    56   -58    59  -0.11500  1.0 1.0
   54    56   -58    59   1.10450 -1.0 2.0
   54    56   -58    59  -0.48050  1.0 3.0
   54    56    58    70  -0.11500  1.0 1.0
   54    56    58    70   1.10450 -1.0 2.0
   54    56    58    70  -0.48050  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   1.64500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    61   3.62500 -1.0 2.0
   56    58    70    64   3.62500 -1.0 2.0
   56    58    70    76   3.62500 -1.0 2.0
   57    56    58    59   1.05000 -1.0 2.0
   57    56    58    70   1.05000 -1.0 2.0
   58    59    60    62   3.62500 -1.0 2.0
   58    59    60    63   3.62500 -1.0 2.0
   58    59   -61    51   0.00000  1.0 1.0
   58    70    76    81   1.63200 -1.0 2.0
   59    58    70    64   3.62500 -1.0 2.0
   59    58    70    76   3.62500 -1.0 2.0
   59    60   -62    64   3.62500 -1.0 2.0
   59    60    62    65   3.62500 -1.0 2.0
   59    60    63    66   1.63200 -1.0 2.0
   60    59    61    51   0.00000  1.0 1.0
   60    62    64    70   3.62500 -1.0 2.0
   60    62    64    71   3.62500 -1.0 2.0
   60    62    65    72   1.63200 -1.0 2.0
   60    63    66    67   0.08050  1.0 3.0
   60    63    66    68   0.08050  1.0 3.0
   60    63    66    69   0.08050  1.0 3.0
   62    60    63    66   1.63200 -1.0 2.0
   62    64   -70    58   3.62500 -1.0 2.0
   62    64    70    76   3.62500 -1.0 2.0
   62    64    71    77   1.63200 -1.0 2.0
   62    65    72    73   0.08050  1.0 3.0
   62    65    72    74   0.08050  1.0 3.0
   62    65    72    75   0.08050  1.0 3.0
   64    62    65    72   1.63200 -1.0 2.0
   64    70    76    81   1.63200 -1.0 2.0
   64    71    77    78   0.08050  1.0 3.0
   64    71    77    79   0.08050  1.0 3.0
   64    71    77    80   0.08050  1.0 3.0
   70    58   -59    60   3.62500 -1.0 2.0
   70    58    59    61   3.62500 -1.0 2.0
   70    64    71    77   1.63200 -1.0 2.0
   70    76    81    82   0.08050  1.0 3.0
   70    76    81    83   0.08050  1.0 3.0
   70    76    81    84   0.08050  1.0 3.0
   71    64    70    58   3.62500 -1.0 2.0
   71    64    70    76   3.62500 -1.0 2.0
   65    62    64    70   3.62500 -1.0 2.0
   65    62    64    71   3.62500 -1.0 2.0
   63    60    62    64   3.62500 -1.0 2.0
   63    60    62    65   3.62500 -1.0 2.0
   61    51    54    55   7.00000 -1.0 2.0
   61    51   -54    56   7.00000 -1.0 2.0
   61    59    60    62   3.62500 -1.0 2.0
   61    59    60    63   3.62500 -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
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    51    48    46   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   49    53    52    43   1.10000 -1.0 2.0
   48    61    51    54   1.10000 -1.0 2.0
   56    55    54    51   1.10000 -1.0 2.0
   54    58    56    57  10.50000 -1.0 2.0
   59    70    58    56   4.00000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   62    63    60    59   4.00000 -1.0 2.0
   64    65    62    60   4.00000 -1.0 2.0
   70    71    64    62   4.00000 -1.0 2.0
   64    76    70    58   4.00000 -1.0 2.0
END
