* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    148    244     437
    1     0 S   NP   _N1_     1    30.09921    93.38859   -17.04173
    2     1 S   H    _HN1     2     1.03089   131.87869    83.76922
    3     1 S   H    _H1_     3     1.02829    28.85399   118.95044
    4     1 S   H    _H2_     4     1.02763    84.42590   -25.70035
    5     1 S   CT   _CA1     5     1.50022   106.21401  -137.29651
    6     5 S   HC   _HA1     6     1.09563   105.12604    29.67463
    7     5 S   CO3  _C1_     7     1.53815   112.48884   -90.72246
    8     7 S   O2Z  _O11     8     1.26368   115.07469   -44.90917
    9     7 S   O2Z  _O12     9     1.26223   114.92245   134.23655
   10     5 S   CT   _CB1    10     1.53080   107.70523   147.87551
   11    10 S   HC   HB11    11     1.09830   109.80232   -45.69384
   12    10 S   HC   HB12    12     1.09769   110.61196    70.96884
   13    10 S   CT   _CG1    13     1.52986   112.27276  -166.57210
   14    13 S   HC   HG11    14     1.09538   111.19347   -61.49335
   15    13 S   HC   HG12    15     1.09606   110.75604    57.54719
   16    13 S   C    _CD1    16     1.51353   109.92540   176.78472
   17    16 S   O    _OE1    17     1.22841   121.64577   -85.43356
   18    16 S   N    _N2_    18     1.38356   112.95872    92.68333
   19    18 S   H    _HN2    19     1.01582   119.18396     4.14439
   20    18 S   CT1  _CA2    20     1.46260   123.34675  -178.15623
   21    20 S   HC   _HA2    21     1.09724   109.41491     2.43695
   22    20 S   C    _C2_    22     1.53471   109.08574  -113.54877
   23    22 S   O    _O2_    23     1.23089   122.16243  -148.45509
   24    20 S   CT   _CB2    32     1.53487   111.13728   124.29216
   25    24 S   HC   HB21    33     1.09009   108.58831    58.62220
   26    24 S   HC   HB22    34     1.09438   109.99784   176.94636
   27    22 S   N    _N3_    24     1.38291   113.89074    39.05843
   28    27 S   H    _HN3    25     1.01604   119.70523    -3.73292
   29    24 S   S    _SG2    35     1.82855   111.04082   -63.14238
   30    27 S   CT   _CA3    26     1.45309   122.92306   176.90288
   31    30 S   HC   HA31    27     1.09558   107.56209   -62.44604
   32    30 S   HC   HA32    28     1.09564   107.87338    53.91173
   33    29 S   CT   _C22    36     1.90394   102.85311   166.39867
   34    30 S   CO3  _C3_    29     1.52893   114.27076   175.87094
   35    34 S   O2Z  _O31    30     1.26338   116.08592    -0.70914
   36    34 S   O2Z  _O32    31     1.26444   114.39421   179.33530
   37    33 S   CA   _C12    37     1.54690   109.29258    49.63138
   38    33 S   CO4  _C16    69     1.53828   105.67471   172.05997
   39    38 S   O    _O23    70     1.22669   124.66479  -118.17932
   40    37 S   CA   _C11    38     1.42052   119.23441  -114.97327
   41    40 S   CA   _C7_    39     1.40448   120.45968   178.87674
   42    41 S   HA   _H33    40     1.08820   119.82416   178.58736
   43    40 S   CO   _C19    51     1.51148   119.10512    -5.21969
   44    43 S   HC   _H35    52     1.10188   105.93992   -89.18743
   45    41 S   CA   _C13    41     1.39763   120.92720    -1.11785
   46    43 S   NT   _N22    53     1.46338   111.03400    32.09531
   47    45 S   CA   _C8_    42     1.39637   119.04901    -0.90396
   48    47 S   HA   _H34    43     1.08753   119.49938  -178.23154
   49    45 S   CT   _C23    47     1.49929   120.41702  -178.12622
   50    49 S   HC   _H38    48     1.09433   109.99446    88.20159
   51    49 S   HC   _H39    49     1.09511   110.93647  -151.30743
   52    49 S   HC   _H40    50     1.09511   110.91981   -32.30132
   53    33 S   CT1  _C20    54     1.56995   112.83734   -76.80931
   54    53 S   HC   _H36    55     1.10342   109.78677  -161.97618
   55    46 S   CT1  _C21    71     1.45328   103.17635   162.64297
   56    55 S   HC   _H37    72     1.09496   112.93285    92.29934
   57    37 S   CA   _C15    44     1.40773   123.14144    61.22498
   58    53 S   CO4  _C17    56     1.52137   111.04510   -48.92657
   59    58 S   O    _O24    57     1.22355   124.88208   141.83442
   60    55 S   CO4  _C18    73     1.52808   102.63203   -24.35766
   61    60 S   O    _O25    74     1.22178   125.92424  -171.81516
   62    55 S   CT   _C24    76     1.52798   111.51181  -138.26024
   63    62 S   HC   _H41    77     1.09729   111.45048    63.81890
   64    62 S   HC   _H42    78     1.09138   113.47192   -57.09259
   65    62 S   HC   _H43    79     1.09595   110.13118  -177.75162
   66    57 S   OH   _O28    45     1.37029   119.86258     0.65072
   67    66 S   HO   _H45    46     0.97194   109.16664   178.84326
   68    58 S   CA   _C10    58     1.49380   115.96631   -44.37908
   69    43 S   OS   _O26    75     1.41506   115.61451   154.80477
   70    68 S   CA   _C9_    59     1.40485   119.40905     7.97260
   71    70 S   CA   _C5_    60     1.39982   120.61316  -177.32044
   72    71 S   HA   _H31    61     1.08714   121.09428  -179.86583
   73    71 S   CA   _C4_    62     1.39325   119.86287    -0.84023
   74    73 S   HA   _H30    63     1.08651   119.96892  -179.67195
   75    73 S   CA   _C6_    64     1.39330   120.04921    -0.00000
   76    75 S   HA   _H32    65     1.08700   119.50969  -179.88809
   77    68 S   CA   _C14    66     1.40193   121.81315  -170.47703
   78    77 S   OH   _O27    67     1.36873   123.65234    -2.04229
   79    78 S   HO   _H44    68     0.97612   109.36304    -0.18975
  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  11   5   4   3
  18   2   1   1  19  13   4  14  13   4  13   5   8  14   8   3
   4   2   1   1  12   4   9   7   2   7   3   6   2   4   2   1
   1   1   1   9   1   7   6   3   5   3   4   2   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    57    46    53    54    58    70    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    57    66    43    46    53    54    58    59    68    70    71    38    39    55  
   35    36  
   36  
    0  
   40    41    42    45    47    48    57    66    67    43    44    46    53    54    58    70    38    39    69  
   39    40    46    53    54    57    58    68    70    71    72    73    77  
   53    68    70    71  
   41    42    45    47    57    66    49    43    44    46    53    55    60    69  
   42    45    47    48    57    49    50    51    52    43    44    46    69  
   45    47    49    43  
   44    46    53    54    58    55    56    60    61    69    62    45    57  
   46    53    55    60    69  
   47    48    57    66    49    50    51    52  
   53    54    58    59    68    55    56    60    61    69    62    63    64    65  
   48    57    66    67    49    50    51    52  
   57    66    49  
   50    51    52    57  
   51    52  
   52  
    0  
   54    58    59    68    70    77    55    56    60    69    62    57  
   58    59    68    55  
   56    60    61    69    62    63    64    65    58  
   60    61    69    62    63    64    65  
   66    67  
   59    68    70    71    75    77    78  
   68    70    77  
   61    69    62    63    64    65  
   69    62  
   63    64    65    69  
   64    65  
   65  
    0  
   67  
    0  
   70    71    72    73    75    76    77    78    79  
    0  
   71    72    73    74    75    77    78  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.3000   0.1700  -0.367500   1.9050   1.6860   0.051222218  -2.220205820
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    57   469.000  1.400
   40    41   469.000  1.400
   40    43   270.000  1.504
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    49   317.000  1.510
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    66   450.000  1.364
   66    67   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   43    44   340.000  1.090
   43    46   340.000  1.430
   43    69   320.000  1.380
   46    53   305.000  1.457
   46    55   305.000  1.457
   53    54   340.000  1.090
   53    58   255.000  1.522
   58    59   570.000  1.229
   58    68   310.000  1.470
   68    70   469.000  1.400
   68    77   469.000  1.400
   70    71   469.000  1.400
   70    38   310.000  1.470
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   38    39   570.000  1.229
   55    56   340.000  1.090
   55    60   255.000  1.522
   55    62   268.000  1.529
   60    61   570.000  1.229
   60    69   214.000  1.327
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    53    75.00000  108.68000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    57    70.00000  120.00000
   33    53    46    80.00000  111.22000
   33    53    54    37.50000  110.70000
   33    53    58    70.00000  110.61500
   33    38    70    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    60.00000  120.68000
   37    57    47    63.00000  120.00000
   37    57    66    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    45.00000  112.15300
   40    43    46    75.00000  112.33000
   40    43    69    90.00000  107.97000
   41    45    47    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    57    63.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    57    66    70.00000  120.00000
   57    37    40    63.00000  120.00000
   57    47    48    35.00000  120.00000
   57    66    67    35.00000  113.00000
   49    45    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   43    40    41    60.00000  120.68000
   43    46    53    80.00000  111.82000
   43    46    55    80.00000  111.82000
   43    69    60    95.00000  111.08000
   46    43    44    50.00000  110.45300
   46    53    54    50.00000  109.55000
   46    53    58    75.00000  112.91400
   46    55    56    50.00000  109.55000
   46    55    60    75.00000  112.91400
   46    55    62    80.00000  111.22000
   53    33    37    63.00000  114.00000
   53    58    59    75.00000  123.42600
   53    58    68    60.00000  117.08000
   58    53    54    45.00000  110.09800
   58    68    70    60.00000  119.52600
   58    68    77    60.00000  119.52600
   68    58    59    75.00000  123.78400
   68    70    71    63.00000  120.00000
   68    70    38    60.00000  119.52600
   68    77    75    63.00000  120.00000
   68    77    78    70.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    38    39    75.00000  123.78400
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    70.00000  120.00000
   77    68    70    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    53    63.00000  111.10000
   38    70    71    60.00000  119.52600
   55    46    53    51.80000  107.20000
   55    60    61    75.00000  123.42600
   55    60    69    90.00000  109.72300
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   60    55    56    45.00000  110.09800
   69    43    44    35.00000  109.50000
   69    43    46   100.00000  112.06800
   69    60    61    83.00000  123.40000
   62    55    56    37.50000  110.70000
   62    55    60    70.00000  110.61500
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    57  -0.16000  1.0 1.0
   29    33    37    57  -0.03200 -1.0 2.0
   29    33    37    57   0.04500  1.0 3.0
   29    33    53    46   0.56750  1.0 1.0
   29    33    53    46  -0.07550 -1.0 2.0
   29    33    53    46   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58  -2.17200  1.0 1.0
   29    33    53    58  -0.85700 -1.0 2.0
   29    33    38    70   0.65300  1.0 1.0
   29    33    38    70  -0.03850 -1.0 2.0
   29    33    38    70   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    57    47   3.62500 -1.0 2.0
   33    37    57    66   3.62500 -1.0 2.0
   33    53    58    59   0.00000  1.0 1.0
   33    53    58    68   0.05850 -1.0 2.0
   33    53    58    68   0.17250  1.0 3.0
   37    33    53    46   0.83750  1.0 1.0
   37    33    53    46   0.32200 -1.0 2.0
   37    33    53    46   0.70600  1.0 3.0
   37    33    53    54   0.23100  1.0 3.0
   37    33    53    58  -0.84850  1.0 1.0
   37    33    53    58  -0.22800 -1.0 2.0
   37    33    53    58   0.29250  1.0 3.0
   37    33    38    70   0.65300  1.0 1.0
   37    33    38    70  -0.03850 -1.0 2.0
   37    33    38    70   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.18550 -1.0 2.0
   37    40   -43    46   0.14000  1.0 3.0
   37    40    43    69   0.64500  1.0 1.0
   37    40    43    69   0.14800 -1.0 2.0
   37    40    43    69   0.20650  1.0 3.0
   37    57    66    67   0.84100 -1.0 2.0
   40    37    57    47   3.62500 -1.0 2.0
   40    37    57    66   3.62500 -1.0 2.0
   40    41   -45    47   3.62500 -1.0 2.0
   40    41    45    49   3.62500 -1.0 2.0
   40    43    46    53   0.82600  1.0 1.0
   40    43    46    53  -0.32100 -1.0 2.0
   40    43    46    53   1.02000  1.0 3.0
   40    43    46    55   0.82600  1.0 1.0
   40    43    46    55  -0.32100 -1.0 2.0
   40    43    46    55   1.02000  1.0 3.0
   40    43    69    60  -0.43900 -1.0 2.0
   40    43    69    60   0.14100  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.18550 -1.0 2.0
   41    40    43    46   0.14000  1.0 3.0
   41    40    43    69   0.64500  1.0 1.0
   41    40    43    69   0.14800 -1.0 2.0
   41    40    43    69   0.20650  1.0 3.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45    47    57   3.62500 -1.0 2.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.00000  1.0 1.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    47   -57    37   3.62500 -1.0 2.0
   45    47    57    66   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    57    66    67   0.84100 -1.0 2.0
   48    47    57    37   3.62500 -1.0 2.0
   48    47    57    66   3.62500 -1.0 2.0
   57    37   -40    41   3.62500 -1.0 2.0
   57    37    40    43   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    57   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -53    33   0.23450  1.0 1.0
   43    46   -53    33   0.02050 -1.0 2.0
   43    46   -53    33   0.25250  1.0 3.0
   43    46    53    54   0.10550  1.0 3.0
   43    46    53    58  -1.76800  1.0 1.0
   43    46    53    58   1.02600 -1.0 2.0
   43    46    53    58   0.19700  1.0 3.0
   43    46    55    56   0.10550  1.0 3.0
   43    46   -55    60  -1.76800  1.0 1.0
   43    46   -55    60   1.02600 -1.0 2.0
   43    46   -55    60   0.19700  1.0 3.0
   43    46    55    62   0.23450  1.0 1.0
   43    46    55    62   0.02050 -1.0 2.0
   43    46    55    62   0.25250  1.0 3.0
   44    43    46    53   0.28000  1.0 3.0
   44    43    46    55   0.28000  1.0 3.0
   44    43    69    60   0.08050  1.0 3.0
   46    43   -69    60  -0.24150  1.0 1.0
   46    43   -69    60  -0.46200 -1.0 2.0
   46    43   -69    60   0.11700  1.0 3.0
   46    53    58    59   0.30150 -1.0 2.0
   46    53    58    68   0.65300  1.0 1.0
   46    53    58    68  -0.03850 -1.0 2.0
   46    53    58    68   0.33900  1.0 3.0
   46    55    60    61   0.30150 -1.0 2.0
   46    55   -60    69   0.40000  1.0 3.0
   46    55    62    63   0.15000  1.0 3.0
   46    55    62    64   0.15000  1.0 3.0
   46    55    62    65   0.15000  1.0 3.0
   53    33   -37    40   0.00000  1.0 1.0
   53    33    37    57   0.00000  1.0 1.0
   53    33    38    70   0.05850 -1.0 2.0
   53    33    38    70   0.17250  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    46    55    56   0.28000  1.0 3.0
   53    46    55    60  -1.76800  1.0 1.0
   53    46    55    60   1.02600 -1.0 2.0
   53    46    55    60   0.19700  1.0 3.0
   53    46    55    62   0.23450  1.0 1.0
   53    46    55    62   0.02050 -1.0 2.0
   53    46    55    62   0.25250  1.0 3.0
   53    58   -68    70   2.26350  1.0 1.0
   53    58   -68    70   0.76750 -1.0 2.0
   53    58   -68    70   0.22500  1.0 3.0
   53    58    68    77   2.26350  1.0 1.0
   53    58    68    77   0.76750 -1.0 2.0
   53    58    68    77   0.22500  1.0 3.0
   54    53    58    59   0.00000  1.0 1.0
   54    53    58    68   0.00000  1.0 1.0
   58    68    70    71   3.62500 -1.0 2.0
   58    68    70    38   3.62500 -1.0 2.0
   58    68    77    75   3.62500 -1.0 2.0
   58    68    77    78   3.62500 -1.0 2.0
   59    58    68    70   1.05000 -1.0 2.0
   59    58    68    77   1.05000 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    73   3.62500 -1.0 2.0
   68    70   -38    33   2.26350  1.0 1.0
   68    70   -38    33   0.76750 -1.0 2.0
   68    70   -38    33   0.22500  1.0 3.0
   68    70    38    39   1.05000 -1.0 2.0
   68    77    78    79   0.84100 -1.0 2.0
   70    68    77    75   3.62500 -1.0 2.0
   70    68    77    78   3.62500 -1.0 2.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71   -73    75   3.62500 -1.0 2.0
   71    70    38    33   2.26350  1.0 1.0
   71    70    38    33   0.76750 -1.0 2.0
   71    70    38    33   0.22500  1.0 3.0
   71    70    38    39   1.05000 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    68   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   0.84100 -1.0 2.0
   76    75    77    68   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    68   -70    71   3.62500 -1.0 2.0
   77    68    70    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    57   0.04300 -1.0 2.0
   38    33    53    46  -3.56550  1.0 1.0
   38    33    53    46  -0.67500 -1.0 2.0
   38    33    53    46   1.11300  1.0 3.0
   38    33    53    54  -0.03800  1.0 3.0
   38    33   -53    58  -0.84850  1.0 1.0
   38    33   -53    58  -0.22800 -1.0 2.0
   38    33   -53    58   0.29250  1.0 3.0
   38    70    71    72   3.62500 -1.0 2.0
   38    70    71    73   3.62500 -1.0 2.0
   55    46    53    33   0.23450  1.0 1.0
   55    46    53    33   0.02050 -1.0 2.0
   55    46    53    33   0.25250  1.0 3.0
   55    46    53    54   0.28000  1.0 3.0
   55    46    53    58  -1.76800  1.0 1.0
   55    46    53    58   1.02600 -1.0 2.0
   55    46    53    58   0.19700  1.0 3.0
   55    60   -69    43   1.63150  1.0 1.0
   55    60   -69    43   2.92000 -1.0 2.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    69   0.00000  1.0 1.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   60    55    62    63  -0.03800  1.0 3.0
   60    55    62    64  -0.03800  1.0 3.0
   60    55    62    65  -0.03800  1.0 3.0
   61    60    69    43   3.00000 -1.0 2.0
   69    43    46    53   1.00600  1.0 1.0
   69    43    46    53  -1.41450 -1.0 2.0
   69    43    46    53   0.25150  1.0 3.0
   69    43   -46    55   1.00600  1.0 1.0
   69    43   -46    55  -1.41450 -1.0 2.0
   69    43   -46    55   0.25150  1.0 3.0
   62    55    60    61   0.00000  1.0 1.0
   62    55    60    69   0.36750  1.0 3.0
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
   40    57    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   47    49    45    41   4.00000 -1.0 2.0
   57    48    47    45   1.10000 -1.0 2.0
   47    66    57    37   4.00000 -1.0 2.0
   53    68    58    59  10.50000 -1.0 2.0
   70    77    68    58   4.00000 -1.0 2.0
   71    38    70    68   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    68   4.00000 -1.0 2.0
   33    70    38    39  10.50000 -1.0 2.0
   55    69    60    61  10.50000 -1.0 2.0
END
