* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    168    267     498
    1     0 S   NP   _N1_     1    29.01515    96.37684   -19.84079
    2     1 S   H    _HN1     2     1.02938    83.37948    32.57007
    3     1 S   H    _H1_     3     1.02832    41.97846   157.35461
    4     1 S   H    _H2_     4     1.02802    83.52567   -76.78875
    5     1 S   CT   _CA1     5     1.50279   152.73653   155.58782
    6     5 S   HC   _HA1     6     1.09569   104.98982    60.72507
    7     5 S   CO3  _C1_     7     1.53945   112.52192   -58.97958
    8     7 S   O2Z  _O11     8     1.26535   115.31161   -33.44110
    9     7 S   O2Z  _O12     9     1.26251   115.18427   145.43554
   10     5 S   CT   _CB1    10     1.53192   107.28888   178.63069
   11    10 S   HC   HB11    11     1.09815   109.46705   -44.33043
   12    10 S   HC   HB12    12     1.09816   110.29832    72.29556
   13    10 S   CT   _CG1    13     1.53035   112.89326  -165.32287
   14    13 S   HC   HG11    14     1.09361   110.42109   -62.15876
   15    13 S   HC   HG12    15     1.09655   110.07359    56.68569
   16    13 S   C    _CD1    16     1.52007   112.30295   176.41597
   17    16 S   O    _OE1    17     1.22738   123.10424   -14.53692
   18    16 S   N    _N2_    18     1.38514   111.80024   166.97097
   19    18 S   H    _HN2    19     1.01543   118.93323    -0.53995
   20    18 S   CT1  _CA2    20     1.46337   123.87312   177.14391
   21    20 S   HC   _HA2    21     1.09752   109.24001    -8.94176
   22    20 S   C    _C2_    22     1.53555   108.71512  -123.81079
   23    22 S   O    _O2_    23     1.23037   122.36287  -151.93440
   24    20 S   CT   _CB2    32     1.53360   111.10481   113.45036
   25    24 S   HC   HB21    33     1.09236   109.73697    46.66738
   26    24 S   HC   HB22    34     1.09438   110.94599   165.46949
   27    22 S   N    _N3_    24     1.38390   113.46490    35.90471
   28    27 S   H    _HN3    25     1.01596   119.12326    -3.25197
   29    24 S   S    _SG2    35     1.82779   110.91481   -76.22371
   30    27 S   CT   _CA3    26     1.45349   123.76135   176.22047
   31    30 S   HC   HA31    27     1.09512   107.00724   -88.45956
   32    30 S   HC   HA32    28     1.09505   109.11203    28.31481
   33    29 S   CT   _C18    36     1.86186   101.65384   144.29056
   34    33 S   OM   _O36    37     1.32040   108.85450   167.35480
   35    30 S   CO3  _C3_    29     1.52977   113.64160   151.60078
   36    35 S   O2Z  _O31    30     1.26377   115.95114    17.50758
   37    35 S   O2Z  _O32    31     1.26409   114.51600  -162.58306
   38    33 S   CT   _C19    38     1.58763   109.45911   -74.76928
   39    38 S   HC   _H14    39     1.09980   106.35860    66.09843
   40    33 S   OS   _O35    66     1.45024   113.51351    40.97719
   41    38 S   CT   _C20    40     1.55557   113.16264  -179.36696
   42    41 S   HC   _H15    41     1.09700   110.23248    64.28818
   43    41 S   HC   _H16    42     1.09625   110.32441   -53.58466
   44    40 S   CA   _C17    67     1.36552   125.67204    55.76393
   45    41 S   CT   _C21    43     1.52896   112.57218  -174.75910
   46    45 S   HC   _H17    44     1.09605   108.80046    68.93518
   47    45 S   HC   _H18    45     1.09687   109.04120  -175.40756
   48    44 S   CA   _C16    68     1.39677   125.58578    15.34571
   49    48 S   HA   _H13    69     1.08451   122.03764    -1.19469
   50    45 S   CT   _C22    46     1.53530   113.02889   -53.13085
   51    50 S   HC   _H19    47     1.09820   108.76895   -66.74925
   52    48 S   CA   _C15    70     1.39903   120.64905   177.98627
   53    52 S   HA   _H12    71     1.08667   119.65956  -179.98022
   54    50 S   CT   _C23    48     1.53209   110.42865    51.66837
   55    54 S   HC   _H20    49     1.09396   110.54010  -175.02126
   56    54 S   HC   _H21    50     1.09672   109.60463    67.26707
   57    50 S   CT   _C25    54     1.53809   109.54653   174.99093
   58    57 S   HC   _H24    55     1.09543   109.28722    60.63522
   59    57 S   HC   _H25    56     1.09590   109.92362   -59.60041
   60    52 S   CA   _C14    72     1.39231   120.46099    -0.54823
   61    60 S   HA   _H11    73     1.08600   120.09214  -179.60534
   62    38 S   CT   _C24    51     1.54373   116.13904   -52.52442
   63    62 S   HC   _H22    52     1.09319   111.51332    54.04470
   64    62 S   HC   _H23    53     1.09691   110.48289   -64.67727
   65    57 S   NG   _N4_    57     1.47055   112.32267  -179.69417
   66    65 S   H    _H26    58     1.01792   120.33611     1.49593
   67    60 S   CA   _C13    74     1.39144   119.75725     0.20936
   68    67 S   HA   _H10    75     1.08697   119.38466  -179.91607
   69    65 S   CG   _C26    59     1.38407   122.80445   177.32117
   70    44 S   CA   _C12    76     1.40681   116.08653  -166.71940
   71    69 S   NG   _N6_    60     1.37950   119.07232  -175.43297
   72    71 S   H    _H29    61     1.01827   120.39969     5.01563
   73    71 S   H    _H30    62     1.01505   121.57049  -179.61437
   74    69 S   NG   _N5_    63     1.38014   121.81373     4.62990
   75    74 S   H    _H27    64     1.01572   120.96828  -179.62154
   76    74 S   H    _H28    65     1.01507   121.69676    -0.21850
   77    70 S   CO4  _C11    77     1.47542   122.10466     1.34552
   78    77 S   O    _O34    78     1.22004   123.23431  -128.79123
   79    77 S   OS   _O33    79     1.35684   109.15571    54.40852
   80    79 S   CT   _C10    80     1.43364   115.08218   178.82797
   81    80 S   HC   _H8_    81     1.09685   109.52793    61.13888
   82    80 S   HC   _H9_    82     1.09704   110.00725   -57.79246
   83    80 S   CA   _C7_    83     1.50391   108.82923  -178.10452
   84    83 S   CA   _C6_    84     1.40085   120.63183   -96.69005
   85    84 S   HA   _H5_    85     1.08566   120.22365    -0.69464
   86    84 S   CA   _C5_    86     1.39577   120.62951   179.32914
   87    86 S   HA   _H4_    87     1.08640   119.99096  -179.86878
   88    86 S   CA   _C4_    88     1.39297   119.97421     0.02798
   89    88 S   HA   _H3_    89     1.08646   120.14509  -179.86583
   90    88 S   CA   _C9_    90     1.39365   119.88197    -0.15826
   91    90 S   HA   _H7_    91     1.08632   119.90974  -179.83568
   92    83 S   CA   _C8_    92     1.40058   120.43707    82.08102
   93    92 S   HA   _H6_    93     1.08717   120.35615     0.32626
  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
  15   6   2   1   1  16   9   9  12   6   5  11  12   5   4   8
   4  13   8   6   3   9   5   4   8   4   3   5   3   2   1   1
   8   3   5   2   6   4   5   2   1   2   1   1   6   2   6   9
   4   3   9   8   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    62    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    45    54    62    63    64    40    44    48    70  
   38    39    41    62    40    44  
   36    37  
   37  
    0  
   39    41    42    43    45    46    47    50    54    55    56    62    63    64    40    44  
   41    42    43    45    54    62    63    64    40  
   44    48    49    52    67    70    77    41    62  
   42    43    45    46    47    50    51    54    62    63    64    57  
   43    45    46    47    50    62  
   45    46    47    50    62  
   48    49    52    53    60    67    68    70    77    78    79  
   46    47    50    51    54    55    56    62    57    58    59    65  
   47    50    51    54    57  
   50    51    54    57  
   49    52    53    60    61    67    70    77  
   52    53    60    70  
   51    54    55    56    62    63    64    57    58    59    65    66    69  
   54    55    56    62    57    58    59    65  
   53    60    61    67    68    70  
   60    61    67  
   55    56    62    63    64    57    58    59    65  
   56    62    63    64    57  
   62    63    64    57  
   58    59    65    66    69    71    74    62  
   59    65    66    69  
   65    66    69  
   61    67    68    70    77  
   67    68    70  
   63    64  
   64  
    0  
   66    69    71    72    73    74    75    76  
   69    71    74  
   68    70    77    78    79  
   70    77  
   71    72    73    74    75    76  
   77    78    79    80  
   72    73    74    75    76  
   73    74  
   74  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80  
   80    81    82    83    84    92  
   81    82    83    84    85    86    90    92    93  
   82    83    84    92  
   83    84    92  
   84    85    86    87    88    90    91    92    93  
   85    86    87    88    89    90    92    93  
   86    87    88    92  
   87    88    89    90    91    92  
   88    89    90  
   89    90    91    92    93  
   90    91    92  
   91    92    93  
   92    93  
   93  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   72   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   75   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    62   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   337.000  1.463
   65    66   434.000  1.010
   65    69   481.000  1.340
   69    71   481.000  1.340
   69    74   481.000  1.340
   71    72   434.000  1.010
   71    73   434.000  1.010
   74    75   434.000  1.010
   74    76   434.000  1.010
   40    44   450.000  1.364
   44    48   469.000  1.400
   44    70   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    77   310.000  1.470
   77    78   570.000  1.229
   77    79   214.000  1.327
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   317.000  1.510
   83    84   469.000  1.400
   83    92   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   90    92   469.000  1.400
   92    93   367.000  1.080
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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    62    58.35000  112.70000
   33    40    44    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    62    54    58.35000  112.70000
   38    62    63    37.50000  110.70000
   38    62    64    37.50000  110.70000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    62    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    65    80.00000  111.20000
   54    50    51    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   56    54    55    33.00000  107.80000
   62    38    39    37.50000  110.70000
   62    38    41    58.35000  112.70000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   64    62    63    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    65    66    35.00000  118.40000
   57    65    69    50.00000  123.20000
   59    57    58    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    59    35.00000  109.50000
   65    69    71    70.00000  120.00000
   65    69    74    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    35.00000  120.00000
   69    74    75    35.00000  120.00000
   69    74    76    35.00000  120.00000
   73    71    72    35.00000  120.00000
   74    69    71    70.00000  120.00000
   76    74    75    35.00000  120.00000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    44    48    70.00000  120.00000
   40    44    70    70.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   44    70    67    63.00000  120.00000
   44    70    77    60.00000  119.52600
   48    52    53    35.00000  120.00000
   48    52    60    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    60    61    35.00000  120.00000
   52    60    67    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    70    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    77    60.00000  119.52600
   70    44    48    63.00000  120.00000
   70    67    68    35.00000  120.00000
   70    77    78    75.00000  123.78400
   70    77    79    81.00000  111.40000
   77    79    80    83.00000  116.90000
   79    77    78    83.00000  123.40000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    85.00000  111.85700
   80    83    84    70.00000  120.00000
   80    83    92    70.00000  120.00000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   83    84    85    35.00000  120.00000
   83    84    86    63.00000  120.00000
   83    92    90    63.00000  120.00000
   83    92    93    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    63.00000  120.00000
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   88    90    92    63.00000  120.00000
   90    88    89    35.00000  120.00000
   90    92    93    35.00000  120.00000
   92    83    84    63.00000  120.00000
   92    90    91    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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    62   0.44750  1.0 1.0
   29    33    38    62  -0.17800 -1.0 2.0
   29    33    38    62   0.20200  1.0 3.0
   29    33    40    44   0.14700  1.0 1.0
   29    33    40    44  -1.16150 -1.0 2.0
   29    33    40    44   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    62    54   0.56750  1.0 1.0
   33    38    62    54  -0.07550 -1.0 2.0
   33    38    62    54   0.20000  1.0 3.0
   33    38    62    63   0.15000  1.0 3.0
   33    38    62    64   0.15000  1.0 3.0
   33    40    44    48   1.63200 -1.0 2.0
   33    40    44    70   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    62   0.62750  1.0 1.0
   34    33    38    62  -0.30950 -1.0 2.0
   34    33    38    62   0.27300  1.0 3.0
   34    33    40    44  -0.25600  1.0 1.0
   34    33    40    44  -0.40050 -1.0 2.0
   34    33    40    44   0.34700  1.0 3.0
   38    33    40    44  -0.32850  1.0 1.0
   38    33    40    44  -0.35800 -1.0 2.0
   38    33    40    44   0.33950  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    50   0.56750  1.0 1.0
   38    41    45    50  -0.07550 -1.0 2.0
   38    41    45    50   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    62    54   0.15000  1.0 3.0
   39    38    62    63   0.15000  1.0 3.0
   39    38    62    64   0.15000  1.0 3.0
   41    38    62    54   0.56750  1.0 1.0
   41    38    62    54  -0.07550 -1.0 2.0
   41    38    62    54   0.20000  1.0 3.0
   41    38    62    63   0.15000  1.0 3.0
   41    38    62    64   0.15000  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45   -50    54   0.56750  1.0 1.0
   41    45   -50    54  -0.07550 -1.0 2.0
   41    45   -50    54   0.20000  1.0 3.0
   41    45    50    57   0.56750  1.0 1.0
   41    45    50    57  -0.07550 -1.0 2.0
   41    45    50    57   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    50   0.15000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    62   0.56750  1.0 1.0
   45    50    54    62  -0.07550 -1.0 2.0
   45    50    54    62   0.20000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    65   1.34550  1.0 1.0
   45    50    57    65  -0.31050 -1.0 2.0
   45    50    57    65   0.95500  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   47    45    50    57   0.15000  1.0 3.0
   50    54   -62    38   0.56750  1.0 1.0
   50    54   -62    38  -0.07550 -1.0 2.0
   50    54   -62    38   0.20000  1.0 3.0
   50    54    62    63   0.15000  1.0 3.0
   50    54    62    64   0.15000  1.0 3.0
   50    57    65    66  -0.09500  1.0 1.0
   50    57    65    66  -0.20850 -1.0 2.0
   50    57    65    66   0.20900  1.0 3.0
   50    57    65    69   0.25550 -1.0 2.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    62   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    65  -0.29100  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    59   0.15000  1.0 3.0
   54    50    57    65   1.34550  1.0 1.0
   54    50    57    65  -0.31050 -1.0 2.0
   54    50    57    65   0.95500  1.0 3.0
   55    54    62    38   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   56    54    62    38   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   62    38    41    42   0.15000  1.0 3.0
   62    38    41    43   0.15000  1.0 3.0
   62    38   -41    45   0.56750  1.0 1.0
   62    38   -41    45  -0.07550 -1.0 2.0
   62    38   -41    45   0.20000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    62   0.56750  1.0 1.0
   57    50    54    62  -0.07550 -1.0 2.0
   57    50    54    62   0.20000  1.0 3.0
   57    65    69    71   3.96800 -1.0 2.0
   57    65    69    74   3.96800 -1.0 2.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    69   0.08850  1.0 3.0
   59    57    65    66   0.00000  1.0 1.0
   59    57    65    69   0.08850  1.0 3.0
   65    69    71    72   1.50000 -1.0 2.0
   65    69    71    73   1.50000 -1.0 2.0
   65    69    74    75   1.50000 -1.0 2.0
   65    69    74    76   1.50000 -1.0 2.0
   66    65    69    71   1.50000 -1.0 2.0
   66    65    69    74   1.50000 -1.0 2.0
   71    69    74    75   1.50000 -1.0 2.0
   71    69    74    76   1.50000 -1.0 2.0
   74    69    71    72   1.50000 -1.0 2.0
   74    69    71    73   1.50000 -1.0 2.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    62   0.62750  1.0 1.0
   40    33    38    62  -0.30950 -1.0 2.0
   40    33    38    62   0.27300  1.0 3.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    52   3.62500 -1.0 2.0
   40    44    70    67   3.62500 -1.0 2.0
   40    44    70    77   3.62500 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    60   3.62500 -1.0 2.0
   44    70    77    78   1.05000 -1.0 2.0
   44    70    77    79   0.98750 -1.0 2.0
   48    44    70    67   3.62500 -1.0 2.0
   48    44    70    77   3.62500 -1.0 2.0
   48    52    60    61   3.62500 -1.0 2.0
   48    52   -60    67   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    60   3.62500 -1.0 2.0
   52    60    67    68   3.62500 -1.0 2.0
   52    60    67    70   3.62500 -1.0 2.0
   53    52    60    61   3.62500 -1.0 2.0
   53    52    60    67   3.62500 -1.0 2.0
   60    67   -70    44   3.62500 -1.0 2.0
   60    67    70    77   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   67    70    77    78   1.05000 -1.0 2.0
   67    70    77    79   0.98750 -1.0 2.0
   68    67    70    44   3.62500 -1.0 2.0
   68    67    70    77   3.62500 -1.0 2.0
   70    44    48    49   3.62500 -1.0 2.0
   70    44   -48    52   3.62500 -1.0 2.0
   70    77    79    80   0.59950  1.0 1.0
   70    77    79    80   3.24850 -1.0 2.0
   77    79    80    81   0.08050  1.0 3.0
   77    79    80    82   0.08050  1.0 3.0
   77    79    80    83  -0.43900 -1.0 2.0
   77    79    80    83   0.14100  1.0 3.0
   78    77    79    80   3.00000 -1.0 2.0
   79    80    83    84   0.64500  1.0 1.0
   79    80    83    84   0.14800 -1.0 2.0
   79    80    83    84   0.20650  1.0 3.0
   79    80    83    92   0.64500  1.0 1.0
   79    80    83    92   0.14800 -1.0 2.0
   79    80    83    92   0.20650  1.0 3.0
   80    83    84    85   3.62500 -1.0 2.0
   80    83    84    86   3.62500 -1.0 2.0
   80    83    92    90   3.62500 -1.0 2.0
   80    83    92    93   3.62500 -1.0 2.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    92   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   82    80    83    92   0.00000  1.0 1.0
   83    84    86    87   3.62500 -1.0 2.0
   83    84    86    88   3.62500 -1.0 2.0
   84    83    92    90   3.62500 -1.0 2.0
   84    83    92    93   3.62500 -1.0 2.0
   84    86    88    89   3.62500 -1.0 2.0
   84    86   -88    90   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88    90    91   3.62500 -1.0 2.0
   86    88    90    92   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    90   3.62500 -1.0 2.0
   88    90   -92    83   3.62500 -1.0 2.0
   88    90    92    93   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   89    88    90    92   3.62500 -1.0 2.0
   91    90    92    83   3.62500 -1.0 2.0
   91    90    92    93   3.62500 -1.0 2.0
   92    83    84    85   3.62500 -1.0 2.0
   92    83   -84    86   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
   66    69    65    57   1.00000 -1.0 2.0
   65    71    69    74  10.50000 -1.0 2.0
   73    69    71    72   1.00000 -1.0 2.0
   75    76    74    69   1.00000 -1.0 2.0
   48    70    44    40   4.00000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   60    53    52    48   1.10000 -1.0 2.0
   67    61    60    52   1.10000 -1.0 2.0
   70    68    67    60   1.10000 -1.0 2.0
   67    77    70    44   4.00000 -1.0 2.0
   70    79    77    78  10.50000 -1.0 2.0
   84    92    83    80   4.00000 -1.0 2.0
   86    85    84    83   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   90    89    88    86   1.10000 -1.0 2.0
   92    91    90    88   1.10000 -1.0 2.0
   90    93    92    83   1.10000 -1.0 2.0
END
