* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    171    268     506
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02036   105.20060   -30.76025
    3     1 S   H    _H1_     3     1.02086    66.10144    73.34502
    4     1 S   H    _H2_     4     1.02082    46.54450  -132.26984
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08611   110.43907    58.92670
   26    24 S   HC   HB22    34     1.08669   109.83319   178.96278
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C27    36     1.85418   101.02437   159.98608
   34    33 S   OM   _O26    37     1.32559   109.76287   175.82017
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CT   _C22    38     1.52681   107.99210    60.00626
   39    38 S   HC   _H49    39     1.09818   107.88991   -62.14944
   40    33 S   OS   _O28    60     1.45067   113.97898   -56.46326
   41    38 S   CT   _C19    40     1.53459   110.67392   179.53228
   42    41 S   HC   _H44    41     1.09597   109.93819    60.68083
   43    41 S   HC   _H45    42     1.09758   109.90237   -56.67425
   44    40 S   CA   _C15    61     1.36825   125.05642   -91.87054
   45    41 S   CT   _C17    43     1.52765   111.70501  -177.97929
   46    45 S   HC   _H40    44     1.09642   109.18237   176.99639
   47    45 S   HC   _H41    45     1.09757   109.20421   -66.52680
   48    44 S   CA   _C11    62     1.39481   119.99821  -150.01284
   49    48 S   HA   _H38    63     1.08690   120.28591    -0.06853
   50    45 S   CT   _C21    46     1.53395   111.66638    55.26149
   51    50 S   HC   _H48    47     1.09873   108.36382    63.97124
   52    48 S   CA   _C9_    64     1.39376   120.00873   179.91377
   53    52 S   HA   _H36    65     1.08673   119.51563  -179.98022
   54    50 S   CT   _C18    48     1.53353   110.83477   -54.80650
   55    54 S   HC   _H42    49     1.09751   109.95155   -66.54048
   56    54 S   HC   _H43    50     1.09694   109.95111   176.14532
   57    50 S   CT   _C26    54     1.52804   110.66009  -177.97088
   58    57 S   HC   _H56    55     1.08223   108.68063  -176.73463
   59    57 S   HC   _H57    56     1.08062   108.93970    62.59173
   60    52 S   CA   _C13    66     1.39490   120.00618    -0.02798
   61    38 S   CT   _C20    51     1.53386   110.73102    56.28079
   62    61 S   HC   _H46    52     1.09719   109.91881    56.63614
   63    61 S   HC   _H47    53     1.09699   109.92192   -60.61868
   64    57 S   NT   _N25    57     1.42467   109.76268   -57.16530
   65    64 S   H    _H58    58     1.01490   119.88582   -35.85924
   66    64 S   H    _H59    59     1.01416   119.83795   157.50025
   67    60 S   CA   _C10    67     1.39508   120.02223    -0.01978
   68    67 S   HA   _H37    68     1.08675   120.49679   179.96044
   69    60 S   CT   _C23    71     1.49161   120.00927  -179.95577
   70    69 S   HC   _H50    72     1.10078   110.19944    32.19995
   71    69 S   HC   _H51    73     1.10101   110.17917   147.72177
   72    44 S   CA   _C12    69     1.39490   120.01666    29.89936
   73    72 S   HA   _H39    70     1.08667   120.35212     0.06853
   74    69 S   CT   _C25    74     1.53348   112.54906   -90.02567
   75    74 S   HC   _H54    75     1.09691   109.76342   -60.00951
   76    74 S   HC   _H55    76     1.09643   109.79013  -179.31386
   77    74 S   CO4  _C16    77     1.51117   112.32885    60.33571
   78    77 S   O    _O27    78     1.22342   125.26872    88.66665
   79    77 S   OS   _O29    79     1.36676   108.86189   -91.21622
   80    79 S   CT   _C24    80     1.43114   115.49887   179.91153
   81    80 S   HC   _H52    81     1.09512   109.03061    58.73045
   82    80 S   HC   _H53    82     1.09534   109.15661   -58.91930
   83    80 S   CA   _C14    83     1.50007   109.04761   179.98022
   84    83 S   CA   _C7_    84     1.39523   120.06590   -89.98337
   85    84 S   HA   _H34    85     1.08647   120.46816     0.01978
   86    84 S   CA   _C5_    86     1.39453   120.01435   179.98022
   87    86 S   HA   _H32    87     1.08653   120.00545   179.94065
   88    86 S   CA   _C4_    88     1.39487   120.01946    -0.01978
   89    88 S   HA   _H31    89     1.08542   119.99034   179.87489
   90    88 S   CA   _C6_    90     1.39526   119.98955     0.06561
   91    90 S   HA   _H33    91     1.08548   119.98742   179.85735
   92    83 S   CA   _C8_    92     1.39539   119.97829    90.00687
   93    92 S   HA   _H35    93     1.08725   120.49002    -0.02798
  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   9  12   5   4   8
   4  13   8   9   3   9   5   4   6   4   3  11   2   1   1   2
   1   1   7   3   9   5   4   1   1   6   4   3   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    61    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    45    54    61    62    63    40    44    48    72  
   38    39    41    61    40    44  
   36    37  
   37  
    0  
   39    41    42    43    45    46    47    50    54    55    56    61    62    63    40    44  
   41    42    43    45    54    61    62    63    40  
   44    48    49    52    67    72    73    41    61  
   42    43    45    46    47    50    51    54    61    62    63    57  
   43    45    46    47    50    61  
   45    46    47    50    61  
   48    49    52    53    60    67    68    72    73  
   46    47    50    51    54    55    56    61    57    58    59    64  
   47    50    51    54    57  
   50    51    54    57  
   49    52    53    60    67    72    73    69  
   52    53    60    72  
   51    54    55    56    61    62    63    57    58    59    64    65    66  
   54    55    56    61    57    58    59    64  
   53    60    67    68    72    69    70    71    74  
   60    67    69  
   55    56    61    62    63    57    58    59    64  
   56    61    62    63    57  
   61    62    63    57  
   58    59    64    65    66    61  
   59    64    65    66  
   64    65    66  
   67    68    72    73    69    70    71    74    75    76    77  
   62    63  
   63  
    0  
   65    66  
   66  
    0  
   68    72    73    69    70    71    74  
   72    73    69  
   70    71    74    75    76    77    78    79    72  
   71    74    75    76    77  
   74    75    76    77  
   73  
    0  
   75    76    77    78    79    80  
   76    77    78    79  
   77    78    79  
   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  -0.060000   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   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.360000   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.7500   0.1050   0.510000   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    61   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    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   382.000  1.448
   64    65   434.000  1.010
   64    66   434.000  1.010
   40    44   450.000  1.364
   44    48   469.000  1.400
   44    72   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    67   469.000  1.400
   60    69   317.000  1.510
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    73   367.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.522
   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    61    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    61    54    58.35000  112.70000
   38    61    62    37.50000  110.70000
   38    61    63    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    61    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    64    56.20000  109.47000
   54    50    51    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   56    54    55    33.00000  107.80000
   61    38    39    37.50000  110.70000
   61    38    41    58.35000  112.70000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   59    57    58    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    59    35.00000  109.50000
   66    64    65    43.60000  106.40000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    44    48    70.00000  120.00000
   40    44    72    70.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   44    72    67    63.00000  120.00000
   44    72    73    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    60    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    60    67    63.00000  120.00000
   52    60    69    70.00000  120.00000
   60    52    53    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    72    63.00000  120.00000
   60    69    70    35.00000  109.50000
   60    69    71    35.00000  109.50000
   60    69    74    70.00000  112.17500
   67    72    73    35.00000  120.00000
   72    44    48    63.00000  120.00000
   72    67    68    35.00000  120.00000
   69    60    67    70.00000  120.00000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    77    63.00000  111.10000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    77    78    80.00000  120.40000
   74    77    79    81.00000  111.40000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   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    61   0.44750  1.0 1.0
   29    33    38    61  -0.17800 -1.0 2.0
   29    33    38    61   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    61    54   0.56750  1.0 1.0
   33    38    61    54  -0.07550 -1.0 2.0
   33    38    61    54   0.20000  1.0 3.0
   33    38    61    62   0.15000  1.0 3.0
   33    38    61    63   0.15000  1.0 3.0
   33    40    44    48   1.63200 -1.0 2.0
   33    40    44    72   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    61   0.62750  1.0 1.0
   34    33    38    61  -0.30950 -1.0 2.0
   34    33    38    61   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    61    54   0.15000  1.0 3.0
   39    38    61    62   0.15000  1.0 3.0
   39    38    61    63   0.15000  1.0 3.0
   41    38    61    54   0.56750  1.0 1.0
   41    38    61    54  -0.07550 -1.0 2.0
   41    38    61    54   0.20000  1.0 3.0
   41    38    61    62   0.15000  1.0 3.0
   41    38    61    63   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    61   0.56750  1.0 1.0
   45    50    54    61  -0.07550 -1.0 2.0
   45    50    54    61   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    64   1.53400  1.0 1.0
   45    50    57    64  -0.09950 -1.0 2.0
   45    50    57    64   0.05700  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   -61    38   0.56750  1.0 1.0
   50    54   -61    38  -0.07550 -1.0 2.0
   50    54   -61    38   0.20000  1.0 3.0
   50    54    61    62   0.15000  1.0 3.0
   50    54    61    63   0.15000  1.0 3.0
   50    57    64    65  -0.05950  1.0 1.0
   50    57    64    65   0.08850 -1.0 2.0
   50    57    64    65   0.11750  1.0 3.0
   50    57    64    66  -0.05950  1.0 1.0
   50    57    64    66   0.08850 -1.0 2.0
   50    57    64    66   0.11750  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    61   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    64   0.15000  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    64   1.53400  1.0 1.0
   54    50    57    64  -0.09950 -1.0 2.0
   54    50    57    64   0.05700  1.0 3.0
   55    54    61    38   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   56    54    61    38   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   61    38    41    42   0.15000  1.0 3.0
   61    38    41    43   0.15000  1.0 3.0
   61    38   -41    45   0.56750  1.0 1.0
   61    38   -41    45  -0.07550 -1.0 2.0
   61    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    61   0.56750  1.0 1.0
   57    50    54    61  -0.07550 -1.0 2.0
   57    50    54    61   0.20000  1.0 3.0
   58    57    64    65   0.20000  1.0 3.0
   58    57    64    66   0.20000  1.0 3.0
   59    57    64    65   0.20000  1.0 3.0
   59    57    64    66   0.20000  1.0 3.0
   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    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   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    72    67   3.62500 -1.0 2.0
   40    44    72    73   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
   48    44    72    67   3.62500 -1.0 2.0
   48    44    72    73   3.62500 -1.0 2.0
   48    52   -60    67   3.62500 -1.0 2.0
   48    52    60    69   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    72   3.62500 -1.0 2.0
   52    60    69    70   0.00000  1.0 1.0
   52    60    69    71   0.00000  1.0 1.0
   52    60    69    74   0.04150 -1.0 2.0
   53    52    60    67   3.62500 -1.0 2.0
   53    52    60    69   3.62500 -1.0 2.0
   60    67   -72    44   3.62500 -1.0 2.0
   60    67    72    73   3.62500 -1.0 2.0
   60    69    74    75   0.43200  1.0 3.0
   60    69    74    76   0.43200  1.0 3.0
   60    69    74    77   0.56750  1.0 1.0
   60    69    74    77  -0.07550 -1.0 2.0
   60    69    74    77   0.20000  1.0 3.0
   67    60    69    70   0.00000  1.0 1.0
   67    60    69    71   0.00000  1.0 1.0
   67    60    69    74   0.04150 -1.0 2.0
   68    67    72    44   3.62500 -1.0 2.0
   68    67    72    73   3.62500 -1.0 2.0
   72    44    48    49   3.62500 -1.0 2.0
   72    44   -48    52   3.62500 -1.0 2.0
   69    60    67    68   3.62500 -1.0 2.0
   69    60    67    72   3.62500 -1.0 2.0
   69    74    77    78   0.30150 -1.0 2.0
   69    74    77    79   0.36750  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77  -0.11250  1.0 3.0
   71    69    74    75   0.15000  1.0 3.0
   71    69    74    76   0.15000  1.0 3.0
   71    69    74    77  -0.11250  1.0 3.0
   74    77    79    80   1.63150  1.0 1.0
   74    77    79    80   2.92000 -1.0 2.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    79   0.00000  1.0 1.0
   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
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   48    72    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    69    60    52   4.00000 -1.0 2.0
   72    68    67    60   1.10000 -1.0 2.0
   67    73    72    44   1.10000 -1.0 2.0
   74    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
