* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    159    246     460
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02104    88.26528   -71.87675
    3     1 S   H    _H1_     3     1.02037    92.22246    36.75469
    4     1 S   H    _H2_     4     1.02084    33.01781   158.65469
    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   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   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   S    _S30    36     2.05030   101.86429   159.99374
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C15    37     1.83701   100.98617  -119.99037
   38    37 S   C    _C10    38     1.52058   107.94413   -60.04182
   39    38 S   O    _O22    39     1.23376   120.33871    78.24712
   40    37 S   CT   _C12    72     1.54784   108.60468    64.00299
   41    40 S   HC   _H33    73     1.09620   113.86959   -35.15337
   42    38 S   N    _N21    40     1.40325   115.36598   -98.65434
   43    40 S   OH   _O24    74     1.43029   109.58441  -155.73910
   44    43 S   HO   _H50    75     0.96846   106.28204    67.04880
   45    42 S   CT   _C16    41     1.49265   122.92714    16.80048
   46    45 S   SM   _S29    42     1.85159   113.01008    84.31787
   47    42 S   CT   _C19    82     1.46572   117.39252  -174.43694
   48    47 S   HC   _H41    83     1.09266   110.11210    90.00743
   49    47 S   HC   _H42    84     1.09347   110.23527   -29.98618
   50    47 S   HC   _H43    85     1.09363   110.21071  -149.99622
   51    45 S   C    _C11    43     1.53923   111.38131   -38.30420
   52    51 S   O    _O23    44     1.23344   122.03369  -165.44727
   53    45 S   CT   _C17    78     1.55061   111.63502  -156.53919
   54    53 S   HC   _H35    79     1.08124   108.60435   -58.57371
   55    53 S   HC   _H36    80     1.08123   108.64955  -178.54022
   56    53 S   HC   _H37    81     1.08020   108.63143    61.40936
   57    37 S   N    _N20    45     1.46045   112.68532   178.00443
   58    57 S   CP1  _C13    46     1.46703   112.42395   -94.65133
   59    58 S   HC   _H34    47     1.09714   109.46910   118.73410
   60    58 S   CT   _C14    48     1.55371   104.75958    -2.45543
   61    58 S   NE   _N19    57     1.47266   113.02547  -117.41848
   62    60 S   CA   _C5_    49     1.49506   101.81124  -139.76793
   63    61 S   CT   _C18    58     1.44442   123.56883   -77.30021
   64    63 S   HC   _H38    59     1.09323   110.09394    36.83850
   65    63 S   HC   _H39    60     1.09357   110.21047   -83.10534
   66    63 S   HC   _H40    61     1.09335   110.23571   156.84328
   67    60 S   OH   _O25    76     1.41655   110.63462   102.77235
   68    67 S   HO   _H51    77     0.97210   107.06829    51.96535
   69    62 S   CA   _C4_    50     1.38608   128.65576  -168.79171
   70    69 S   HA   _H32    51     1.08544   120.39733     0.84557
   71    69 S   CA   _C9_    52     1.39347   118.16332  -178.94557
   72    71 S   Cl   CL31    53     1.72576   118.75260  -179.84174
   73    71 S   CA   _C8_    54     1.40159   120.39726     0.24066
   74    73 S   CA   _C7_    55     1.39885   120.74840     0.07913
   75    73 S   OS   _O27    67     1.36605   120.20049   179.86438
   76    62 S   CA   _C6_    56     1.40093   109.14405    12.41205
   77    74 S   OS   _O26    62     1.36100   118.67639   179.50347
   78    75 S   CT   _C21    68     1.42436   116.88356    90.19154
   79    78 S   HC   _H47    69     1.09300   109.53249  -179.92867
   80    78 S   HC   _H48    70     1.09293   109.51824    59.21897
   81    78 S   HC   _H49    71     1.09303   108.99089   -60.41098
   82    77 S   CT   _C20    63     1.42681   117.07593   -89.81437
   83    82 S   HC   _H44    64     1.09337   109.51670   180.00000
   84    82 S   HC   _H45    65     1.09302   109.56600    59.14219
   85    82 S   HC   _H46    66     1.09321   108.99548   -60.45507
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  18  16   5  15   7  13   6   1  13   8   5   2
   1   1  10   3   4   2   1   1   8  13   6  10  11  11   5   3
   2   1   3   1   7   4   7   3   9   8   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    57    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    51    57    58    60    40    41    43  
   35    36  
   36  
    0  
   38    39    42    45    51    52    57    58    59    60    62    61    40    41    43    44    67    47  
   39    42    45    46    51    57    58    60    40    41    43    53    47    48    49    50  
   42    45    57    40    47  
   41    43    44    67    68    42    51    57    58    59    60    61    62    69    76  
   43    44    67    57    58    60    62  
   45    46    51    52    57    53    54    55    56    47    48    49    50  
   44    67    57    58    60    62  
   60  
   46    51    52    57    58    53    54    55    56    47    48    49    50  
   51    52    57    53    54    55    56    47  
   48    49    50    51    53  
   49    50  
   50  
    0  
   52    57    58    59    60    61    53    54    55    56  
   57    58    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    62    76    61    63    67  
   59    60    62    69    74    76    61    63    64    65    66    67    68  
   60    62    76    61    63    67  
   62    69    70    71    74    76    61    63    67    68  
   63    64    65    66    77    67    62    69    73    74    76  
   69    70    71    72    73    74    76    63    77    67    68  
   64    65    66    74    76  
   65    66    76  
   66    76  
   76  
   68    69    76  
    0  
   70    71    72    73    74    76    75  
   71    72    73    76  
   72    73    74    76    77    75    78  
   73    74    75  
   74    76    77    82    75    78    79    80    81  
   76    77    82    83    84    85    75    78  
   78    79    80    81    76    77  
   77    82  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.022500   1.9750   1.7500   0.005000000  -0.741685710
   46   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   47   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   58   3.5000   0.0660   0.132500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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
   85   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    57   337.000  1.449
   37    40   268.000  1.529
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    45   337.000  1.449
   42    47   337.000  1.449
   45    46   222.000  1.810
   45    51   317.000  1.522
   45    53   268.000  1.529
   51    52   570.000  1.229
   51    57   490.000  1.335
   57    58   337.000  1.449
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    61   382.000  1.448
   60    62   317.000  1.510
   60    40   268.000  1.529
   60    67   320.000  1.410
   62    69   469.000  1.400
   62    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   300.000  1.725
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    61   481.000  1.340
   61    63   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   77    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   75    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   67    68   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    57    80.00000  108.62000
   33    37    40    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    42    70.00000  116.60000
   37    57    51    50.00000  121.90000
   37    57    58    50.00000  118.00000
   37    40    60    58.35000  112.70000
   37    40    41    37.50000  110.70000
   37    40    43    50.00000  109.50000
   38    42    45    50.00000  121.90000
   38    42    47    50.00000  121.90000
   42    38    39    80.00000  122.90000
   42    45    46    80.00000  108.62000
   42    45    51    75.00000  110.24000
   42    45    53    70.00000  110.72300
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   45    51    52    80.00000  120.40000
   45    51    57    70.00000  116.60000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    56    37.50000  110.70000
   51    45    46    70.00000  112.33000
   51    57    58    50.00000  121.90000
   57    37    38    75.00000  110.24000
   57    51    52    80.00000  122.90000
   57    58    59    35.00000  109.50000
   57    58    60    80.00000  109.70000
   57    58    61    90.00000  107.82800
   58    60    62    70.00000  112.17500
   58    60    40    58.35000  112.70000
   58    60    67    50.00000  109.50000
   58    61    76    50.00000  120.00000
   58    61    63    50.00000  115.00000
   60    58    59    37.50000  110.70000
   60    62    69    70.00000  120.00000
   60    62    76    70.00000  120.00000
   60    40    41    37.50000  110.70000
   60    40    43    50.00000  109.50000
   60    67    68    55.00000  108.50000
   62    69    70    35.00000  120.00000
   62    69    71    63.00000  120.00000
   62    76    74    63.00000  120.00000
   62    76    61    70.00000  120.10000
   69    71    72    75.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    75.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    78    75.00000  111.00000
   74    76    61    70.00000  120.10000
   74    77    82    75.00000  111.00000
   76    62    69    63.00000  120.00000
   76    61    63    50.00000  120.00000
   61    58    59    35.00000  109.50000
   61    58    60    80.00000  111.61500
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   77    74    76    70.00000  120.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   40    37    38    63.00000  111.10000
   40    37    57    70.00000  110.72300
   40    60    62    70.00000  112.17500
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   67    60    62    90.00000  112.51600
   67    60    40    50.00000  109.50000
   53    45    46    75.00000  111.63000
   53    45    51    63.00000  111.10000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    42    45    50.00000  118.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    57   0.00000  1.0 1.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    42   0.00000  1.0 1.0
   33    37    57    51  -0.42300  1.0 1.0
   33    37    57    51  -0.07000 -1.0 2.0
   33    37    57    51   0.04150  1.0 3.0
   33    37    57    58   0.17850 -1.0 2.0
   33    37    40    60   0.44750  1.0 1.0
   33    37    40    60  -0.17800 -1.0 2.0
   33    37    40    60   0.20200  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    43   0.56750  1.0 1.0
   33    37    40    43  -0.07550 -1.0 2.0
   33    37    40    43   0.20000  1.0 3.0
   37    38    42    45   1.49850  1.0 1.0
   37    38    42    45   1.53950 -1.0 2.0
   37    38    42    47   1.49850  1.0 1.0
   37    38    42    47   1.53950 -1.0 2.0
   37    57    58    59   0.00000  1.0 1.0
   37    57   -58    60  -0.05900 -1.0 2.0
   37    57    58    61   0.17850 -1.0 2.0
   37    40    43    44  -0.11600  1.0 1.0
   37    40    43    44  -0.09450 -1.0 2.0
   37    40    43    44   0.21250  1.0 3.0
   38    37    57    51  -0.42300  1.0 1.0
   38    37    57    51  -0.07000 -1.0 2.0
   38    37    57    51   0.04150  1.0 3.0
   38    37    57    58   0.17850 -1.0 2.0
   38    37    40    60  -0.95700  1.0 1.0
   38    37    40    60  -0.18200 -1.0 2.0
   38    37    40    60   0.29450  1.0 3.0
   38    37    40    41  -0.11250  1.0 3.0
   38    37    40    43  -0.09450  1.0 1.0
   38    37    40    43  -1.12950 -1.0 2.0
   38    37    40    43   0.54000  1.0 3.0
   38    42    45    46  -0.42300  1.0 1.0
   38    42    45    46  -0.07000 -1.0 2.0
   38    42    45    46   0.04150  1.0 3.0
   38    42   -45    51  -0.42300  1.0 1.0
   38    42   -45    51  -0.07000 -1.0 2.0
   38    42   -45    51   0.04150  1.0 3.0
   38    42    45    53  -0.43950  1.0 1.0
   38    42    45    53  -0.08100 -1.0 2.0
   38    42    45    53   0.03350  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    50   0.00000  1.0 1.0
   39    38    42    45   3.04450 -1.0 2.0
   39    38    42    47   3.04450 -1.0 2.0
   42    45    51    52   0.30150 -1.0 2.0
   42    45    51    57   0.00000  1.0 1.0
   42    45    53    54   0.15000  1.0 3.0
   42    45    53    55   0.15000  1.0 3.0
   42    45    53    56   0.15000  1.0 3.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    50   0.00000  1.0 1.0
   45    51   -57    37   1.49850  1.0 1.0
   45    51   -57    37   1.53950 -1.0 2.0
   45    51    57    58   1.15000  1.0 1.0
   45    51    57    58   3.04450 -1.0 2.0
   46    45    51    52   0.30150 -1.0 2.0
   46    45    51    57   0.00000  1.0 1.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    56   0.15000  1.0 3.0
   51    45    53    54  -0.11250  1.0 3.0
   51    45    53    55  -0.11250  1.0 3.0
   51    45    53    56  -0.11250  1.0 3.0
   51    57    58    59   0.00000  1.0 1.0
   51    57    58    60   0.25950  1.0 1.0
   51    57    58    60   0.43850 -1.0 2.0
   51    57    58    60   2.61650  1.0 3.0
   51    57    58    61  -0.50000 -1.0 2.0
   52    51    57    37   3.04450 -1.0 2.0
   52    51    57    58   3.04450 -1.0 2.0
   57    37    38    39   0.30150 -1.0 2.0
   57    37   -38    42   0.00000  1.0 1.0
   57    37   -40    60   0.43900  1.0 1.0
   57    37   -40    60   0.49100 -1.0 2.0
   57    37   -40    60   0.28400  1.0 3.0
   57    37    40    41   0.15000  1.0 3.0
   57    37    40    43   2.76900  1.0 1.0
   57    37    40    43  -0.24350 -1.0 2.0
   57    37    40    43  -0.78250  1.0 3.0
   57    58    60    62   0.08550  1.0 1.0
   57    58    60    62   1.07500 -1.0 2.0
   57    58    60    62  -0.10950  1.0 3.0
   57    58   -60    40   0.42250  1.0 1.0
   57    58   -60    40  -0.48100 -1.0 2.0
   57    58   -60    40   0.35650  1.0 3.0
   57    58    60    67   2.76900  1.0 1.0
   57    58    60    67  -0.24350 -1.0 2.0
   57    58    60    67  -0.78250  1.0 3.0
   57    58    61    76  -0.12500  1.0 1.0
   57    58    61    76  -0.12500 -1.0 2.0
   57    58    61    76   0.25000  1.0 3.0
   57    58    61    63   0.00000  1.0 1.0
   58    60    62    69   0.04150 -1.0 2.0
   58    60   -62    76   0.04150 -1.0 2.0
   58    60   -40    37   0.56750  1.0 1.0
   58    60   -40    37  -0.07550 -1.0 2.0
   58    60   -40    37   0.20000  1.0 3.0
   58    60    40    41   0.15000  1.0 3.0
   58    60    40    43   0.86500  1.0 1.0
   58    60    40    43  -0.17500 -1.0 2.0
   58    60    40    43   0.20800  1.0 3.0
   58    60    67    68  -0.11600  1.0 1.0
   58    60    67    68  -0.09450 -1.0 2.0
   58    60    67    68   0.21250  1.0 3.0
   58    61    63    64   0.00000  1.0 1.0
   58    61    63    65   0.00000  1.0 1.0
   58    61    63    66   0.00000  1.0 1.0
   59    58    60    62   0.43200  1.0 3.0
   59    58    60    40   0.15000  1.0 3.0
   59    58    60    67   0.23400  1.0 3.0
   59    58    61    76   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   60    58   -61    76  -0.12500  1.0 1.0
   60    58   -61    76  -0.12500 -1.0 2.0
   60    58   -61    76   0.25000  1.0 3.0
   60    58    61    63   0.00000  1.0 1.0
   60    62    69    70   3.62500 -1.0 2.0
   60    62    69    71   3.62500 -1.0 2.0
   60    62    76    74   3.62500 -1.0 2.0
   60    62   -76    61   3.62500 -1.0 2.0
   60    40    43    44  -0.11600  1.0 1.0
   60    40    43    44  -0.09450 -1.0 2.0
   60    40    43    44   0.21250  1.0 3.0
   62    60    40    37  -0.03700  1.0 1.0
   62    60    40    37   0.37200 -1.0 2.0
   62    60    40    37  -0.47300  1.0 3.0
   62    60    40    41   0.43200  1.0 3.0
   62    60    40    43   1.13150  1.0 1.0
   62    60    40    43  -1.01400 -1.0 2.0
   62    60    67    68   0.31900  1.0 1.0
   62    60    67    68  -0.11800 -1.0 2.0
   62    60    67    68   0.38750  1.0 3.0
   62    69    71    72   3.62500 -1.0 2.0
   62    69    71    73   3.62500 -1.0 2.0
   62    76   -61    58  -1.00000  1.0 1.0
   62    76   -61    58   1.25000 -1.0 2.0
   62    76    61    63  -1.00000  1.0 1.0
   62    76    61    63   1.25000 -1.0 2.0
   69    62    76    74   3.62500 -1.0 2.0
   69    62    76    61   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    75    78   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -76    62   3.62500 -1.0 2.0
   73    74    76    61   3.62500 -1.0 2.0
   73    74    77    82   1.63200 -1.0 2.0
   73    75    78    79   0.08050  1.0 3.0
   73    75    78    80   0.08050  1.0 3.0
   73    75    78    81   0.08050  1.0 3.0
   74    73    75    78   1.63200 -1.0 2.0
   74    76    61    58  -1.00000  1.0 1.0
   74    76    61    58   1.25000 -1.0 2.0
   74    76    61    63  -1.00000  1.0 1.0
   74    76    61    63   1.25000 -1.0 2.0
   74    77    82    83   0.08050  1.0 3.0
   74    77    82    84   0.08050  1.0 3.0
   74    77    82    85   0.08050  1.0 3.0
   76    62    69    70   3.62500 -1.0 2.0
   76    62   -69    71   3.62500 -1.0 2.0
   76    74    77    82   1.63200 -1.0 2.0
   76    61    63    64   0.00000  1.0 1.0
   76    61    63    65   0.00000  1.0 1.0
   76    61    63    66   0.00000  1.0 1.0
   61    58   -60    62   0.08550  1.0 1.0
   61    58   -60    62   1.07500 -1.0 2.0
   61    58   -60    62  -0.10950  1.0 3.0
   61    58    60    40   1.26750  1.0 1.0
   61    58    60    40  -0.00950 -1.0 2.0
   61    58    60    40   0.30600  1.0 3.0
   61    58    60    67   4.07950  1.0 1.0
   61    58    60    67  -0.26450 -1.0 2.0
   61    58    60    67  -0.12150  1.0 3.0
   77    74    76    62   3.62500 -1.0 2.0
   77    74    76    61   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37    38    42   1.39750  1.0 1.0
   40    37    38    42  -0.07950 -1.0 2.0
   40    37    38    42  -0.18750  1.0 3.0
   40    37    57    51  -0.43950  1.0 1.0
   40    37    57    51  -0.08100 -1.0 2.0
   40    37    57    51   0.03350  1.0 3.0
   40    37   -57    58  -0.05900 -1.0 2.0
   40    60    62    69   0.04150 -1.0 2.0
   40    60    62    76   0.04150 -1.0 2.0
   40    60    67    68  -0.11600  1.0 1.0
   40    60    67    68  -0.09450 -1.0 2.0
   40    60    67    68   0.21250  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   67    60    62    69   0.14300 -1.0 2.0
   67    60    62    69   0.00300  1.0 3.0
   67    60    62    76   0.14300 -1.0 2.0
   67    60    62    76   0.00300  1.0 3.0
   67    60    40    37   0.86500  1.0 1.0
   67    60    40    37  -0.17500 -1.0 2.0
   67    60    40    37   0.20800  1.0 3.0
   67    60    40    41   0.23400  1.0 3.0
   67    60    40    43   3.75450  1.0 1.0
   53    45    51    52   0.30150 -1.0 2.0
   53    45    51    57   1.39750  1.0 1.0
   53    45    51    57  -0.07950 -1.0 2.0
   53    45    51    57  -0.18750  1.0 3.0
   47    42    45    46   0.17850 -1.0 2.0
   47    42    45    51   0.17850 -1.0 2.0
   47    42    45    53  -0.05900 -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
   36    30    34    35  10.50000 -1.0 2.0
   37    42    38    39  10.50000 -1.0 2.0
   47    38    42    45   1.00000 -1.0 2.0
   45    57    51    52  10.50000 -1.0 2.0
   58    51    57    37   1.00000 -1.0 2.0
   69    76    62    60   4.00000 -1.0 2.0
   71    70    69    62   1.10000 -1.0 2.0
   73    72    71    69   4.00000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   74    61    76    62   4.00000 -1.0 2.0
   63    76    61    58   1.00000 -1.0 2.0
END
