* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    153    243     451
    1     0 S   NP   _N1_     1    28.00190    97.38241   -23.49921
    2     1 S   H    _HN1     2     1.02776   107.04322  -105.94353
    3     1 S   H    _H1_     3     1.02958    72.96379    -1.44942
    4     1 S   H    _H2_     4     1.02835    36.52537   156.81530
    5     1 S   CT   _CA1     5     1.50128   136.37535   100.47595
    6     5 S   HC   _HA1     6     1.09574   105.21642    91.15508
    7     5 S   CO3  _C1_     7     1.53789   112.36791   -29.04150
    8     7 S   O2Z  _O11     8     1.26366   114.99588   -43.75254
    9     7 S   O2Z  _O12     9     1.26235   114.93449   135.35498
   10     5 S   CT   _CB1    10     1.53096   107.42264  -150.92691
   11    10 S   HC   HB11    11     1.09826   109.34284   -50.44984
   12    10 S   HC   HB12    12     1.09815   110.42377    66.11257
   13    10 S   CT   _CG1    13     1.53013   112.66339  -171.51860
   14    13 S   HC   HG11    14     1.09594   110.48768   -64.26764
   15    13 S   HC   HG12    15     1.09656   109.91992    54.93006
   16    13 S   C    _CD1    16     1.51840   112.32717   175.30706
   17    16 S   O    _OE1    17     1.22748   123.29528     0.19281
   18    16 S   N    _N2_    18     1.38560   111.68866  -179.80218
   19    18 S   H    _HN2    19     1.01553   119.02046     4.56454
   20    18 S   CT1  _CA2    20     1.45849   122.90288   178.07441
   21    20 S   HC   _HA2    21     1.09719   108.94424    24.11456
   22    20 S   C    _C2_    22     1.52904   106.88410   -93.05812
   23    22 S   O    _O2_    23     1.22994   122.97928   -28.23433
   24    20 S   CT   _CB2    32     1.53177   112.18549   147.31629
   25    24 S   HC   HB21    33     1.09505   110.09755    55.12447
   26    24 S   HC   HB22    34     1.09532   110.17166   173.96886
   27    22 S   N    _N3_    24     1.38487   112.64662   154.57172
   28    27 S   H    _HN3    25     1.01661   120.38733    -2.24210
   29    24 S   S    _SG2    35     1.82592   111.16679   -66.08153
   30    27 S   CT   _CA3    26     1.45357   122.39607   178.57976
   31    30 S   HC   HA31    27     1.09572   107.71287   -57.19954
   32    30 S   HC   HA32    28     1.09565   107.68101    59.09548
   33    29 S   CT   _C19    36     1.85805    99.49459   178.85380
   34    33 S   HC   _H5_    37     1.09925   107.43444    33.33301
   35    30 S   CO3  _C3_    29     1.52871   114.40943  -179.13815
   36    35 S   O2Z  _O31    30     1.26321   116.09217    -2.57960
   37    35 S   O2Z  _O32    31     1.26442   114.39744   177.43860
   38    33 S   CT   _C18    38     1.53333   107.18686   -83.13642
   39    38 S   HC   _H23    39     1.09611   110.96048    59.99386
   40    38 S   HC   _H24    40     1.09810   110.70306   -58.64509
   41    38 S   CT   _C17    41     1.51851   110.60915  -179.85598
   42    41 S   HC   _H21    42     1.09680   109.55520  -179.37286
   43    41 S   HC   _H22    43     1.09601   109.36595   -63.20041
   44    41 S   CT   _C16    44     1.52267   109.53327    60.35258
   45    44 S   HC   _H4_    45     1.09916   108.58497    71.25344
   46    44 S   CT   _C12    46     1.54714   116.24553   -57.13538
   47    44 S   NP   _N4_    58     1.51887   109.53909  -170.71930
   48    47 S   H    _H3_    59     1.02865   111.39492   -38.72745
   49    46 S   CA   _C8_    47     1.56682   106.16957   173.04633
   50    47 S   CT   _C14    60     1.51817   105.88768    81.20488
   51    50 S   HC   _H17    61     1.09454   107.19009   -96.76359
   52    50 S   HC   _H18    62     1.09421   109.55698   144.63795
   53    33 S   CT   _C20    76     1.57464   110.88829   153.73975
   54    53 S   OM   _O35    77     1.32964   106.31595   -72.19262
   55    53 S   HC   _H6_    78     1.10255   104.97304    55.36116
   56    49 S   CA   _C9_    48     1.40481   123.04605  -147.19875
   57    56 S   HA   _H11    49     1.08229   119.30424     1.22557
   58    46 S   CT   _C13    63     1.55753   101.02534   -74.46036
   59    58 S   HC   _H15    64     1.09655   112.67464  -152.71449
   60    58 S   HC   _H16    65     1.09655   111.86698    86.92729
   61    56 S   CA   _C10    50     1.40409   121.64005  -178.83131
   62    61 S   CA   _C5_    51     1.40449   119.89376    -0.00000
   63    61 S   OS   _O34    71     1.37486   124.47574  -180.00000
   64    62 S   CA   _C6_    52     1.39582   119.34244    -0.07402
   65    64 S   HA   _H10    53     1.08636   121.20928  -179.49101
   66    62 S   OS   _O33    66     1.37308   115.99499  -179.90309
   67    63 S   CT   _C11    72     1.42232   117.52656    -0.34207
   68    67 S   HC   _H12    73     1.09430   107.71084  -179.79633
   69    67 S   HC   _H13    74     1.09493   111.14929    62.55326
   70    67 S   HC   _H14    75     1.09495   111.16247   -62.13973
   71    49 S   CA   _C7_    54     1.41717   119.27363    34.09048
   72    66 S   CT   _C4_    67     1.42210   117.43207  -179.60733
   73    72 S   HC   _H7_    68     1.09429   107.74039   179.61743
   74    72 S   HC   _H8_    69     1.09497   111.15723    61.89423
   75    72 S   HC   _H9_    70     1.09493   111.12724   -62.68158
   76    71 S   CT   _C15    55     1.50925   120.67160    -2.97874
   77    76 S   HC   _H19    56     1.09552   111.70011   129.35900
   78    76 S   HC   _H20    57     1.09618   109.90586  -109.76109
  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  10   5   4   3
  14   8   2   1   1  12   6   5  12   5   4  19   8  18  14   8
  18  10   5   4   7   2   1  10   4   4   1   1  11  11   6   7
   3   5   3   2   1   1   3   3   2   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    53    54    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    49    58    53    54    55  
   38    39    40    41    46    53    54    55  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    53    54    55  
   40    41    42    43    44    53  
   41    42    43    44    53  
   42    43    44    45    46    49    76    47    48    50    58    53  
   43    44    45    46    47  
   44    45    46    47  
   45    46    49    56    71    76    77    78    47    48    50    51    52    58    59    60    53    54    55  
   46    49    76    47    48    50    58    53  
   49    56    57    61    64    71    76    47    48    50    51    52    58    59    60    53    54    55  
   48    50    51    52    58    59    60    53    49    64    71    76    77    78  
   50    51    52    58    71    76    77    78  
   56    57    61    62    64    65    71    76    77    78    50    58    59    60    63    53    54    55  
   51    52    58    59    60    53    71    76    77    78  
   52    58    59    60    76  
   58    59    60    76  
   54    55    56    58    59    60    71  
   55    58  
   58  
   57    61    62    64    71    76    58    66    63    67  
   61    62    71    63  
   59    60    71    76  
   60  
    0  
   62    64    65    71    66    72    63    67    68    69    70  
   64    65    71    76    66    72    73    74    75    63    67  
   67    68    69    70    64    66  
   65    71    76    77    78    66    72  
   71    76    66  
   72    73    74    75    71  
   68    69    70  
   69    70  
   70  
    0  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   77    78  
   78  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   48   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   55   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    53   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    47   367.000  1.471
   46    49   317.000  1.510
   46    58   268.000  1.529
   46    53   268.000  1.529
   49    56   469.000  1.400
   49    71   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   469.000  1.400
   62    66   450.000  1.364
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    47   367.000  1.471
   47    48   434.000  1.010
   47    50   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   53    54   570.000  1.307
   53    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    46    58.35000  112.70000
   33    53    54    50.00000  109.50000
   33    53    55    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    47    80.00000  111.20000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    46    49    70.00000  112.17500
   44    46    58    58.35000  112.70000
   44    46    53    58.35000  112.70000
   44    47    76    75.00000  113.01200
   44    47    48    35.00000  109.50000
   44    47    50    75.00000  113.01200
   46    44    45    37.50000  110.70000
   46    49    56    70.00000  120.00000
   46    49    71    70.00000  120.00000
   46    58    50    58.35000  112.70000
   46    58    59    37.50000  110.70000
   46    58    60    37.50000  110.70000
   46    53    54    50.00000  109.50000
   46    53    55    37.50000  110.70000
   49    56    57    35.00000  120.00000
   49    56    61    63.00000  120.00000
   49    71    64    63.00000  120.00000
   49    71    76    70.00000  120.00000
   56    61    62    63.00000  120.00000
   56    61    63    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    62    66    70.00000  120.00000
   61    63    67    75.00000  111.00000
   62    64    65    35.00000  120.00000
   62    64    71    63.00000  120.00000
   62    66    72    75.00000  111.00000
   64    71    76    70.00000  120.00000
   71    49    56    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    47    75.00000  110.83300
   76    47    48    35.00000  109.50000
   76    47    50    75.00000  113.01200
   78    76    77    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    80.00000  111.20000
   47    76    77    35.00000  109.50000
   47    76    78    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    58    80.00000  111.20000
   50    47    48    35.00000  109.50000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   52    50    51    33.00000  107.80000
   58    46    49    70.00000  112.17500
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   60    58    59    33.00000  107.80000
   66    62    64    70.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    61    62    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    46    49    70.00000  112.17500
   53    46    58    58.35000  112.70000
   55    53    54    45.00000  125.66300
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   0.32350  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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  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    53    46   0.44750  1.0 1.0
   29    33    53    46  -0.17800 -1.0 2.0
   29    33    53    46   0.20200  1.0 3.0
   29    33    53    54   0.56750  1.0 1.0
   29    33    53    54  -0.07550 -1.0 2.0
   29    33    53    54   0.20000  1.0 3.0
   29    33    53    55   0.15000  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    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    53    46   0.15000  1.0 3.0
   34    33    53    54   0.23400  1.0 3.0
   34    33    53    55   0.15000  1.0 3.0
   38    33    53    46   0.56750  1.0 1.0
   38    33    53    46  -0.07550 -1.0 2.0
   38    33    53    46   0.20000  1.0 3.0
   38    33    53    54   0.62750  1.0 1.0
   38    33    53    54  -0.30950 -1.0 2.0
   38    33    53    54   0.27300  1.0 3.0
   38    33    53    55   0.15000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    46   0.56750  1.0 1.0
   38    41   -44    46  -0.07550 -1.0 2.0
   38    41   -44    46   0.20000  1.0 3.0
   38    41    44    47   1.36600  1.0 1.0
   38    41    44    47  -0.11450 -1.0 2.0
   38    41    44    47   0.24250  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    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    49  -0.03700  1.0 1.0
   41    44    46    49   0.37200 -1.0 2.0
   41    44    46    49  -0.47300  1.0 3.0
   41    44    46    58   0.56750  1.0 1.0
   41    44    46    58  -0.07550 -1.0 2.0
   41    44    46    58   0.20000  1.0 3.0
   41    44    46    53   0.56750  1.0 1.0
   41    44    46    53  -0.07550 -1.0 2.0
   41    44    46    53   0.20000  1.0 3.0
   41    44    47    76   0.47100  1.0 1.0
   41    44    47    48   0.17350  1.0 3.0
   41    44    47    50   0.47100  1.0 1.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.19200  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.19200  1.0 3.0
   44    46    49    56   0.04150 -1.0 2.0
   44    46    49    71   0.04150 -1.0 2.0
   44    46   -58    50   0.56750  1.0 1.0
   44    46   -58    50  -0.07550 -1.0 2.0
   44    46   -58    50   0.20000  1.0 3.0
   44    46    58    59   0.15000  1.0 3.0
   44    46    58    60   0.15000  1.0 3.0
   44    46   -53    33   0.56750  1.0 1.0
   44    46   -53    33  -0.07550 -1.0 2.0
   44    46   -53    33   0.20000  1.0 3.0
   44    46    53    54   0.62750  1.0 1.0
   44    46    53    54  -0.30950 -1.0 2.0
   44    46    53    54   0.27300  1.0 3.0
   44    46    53    55   0.15000  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.15000  1.0 3.0
   44    47   -50    58   0.47100  1.0 1.0
   45    44    46    49   0.43200  1.0 3.0
   45    44    46    58   0.15000  1.0 3.0
   45    44    46    53   0.15000  1.0 3.0
   45    44    47    76   0.15000  1.0 3.0
   45    44    47    48   0.13050  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    76   0.47100  1.0 1.0
   46    44    47    48   0.17350  1.0 3.0
   46    44   -47    50   0.47100  1.0 1.0
   46    49    56    57   3.62500 -1.0 2.0
   46    49    56    61   3.62500 -1.0 2.0
   46    49    71    64   3.62500 -1.0 2.0
   46    49   -71    76   3.62500 -1.0 2.0
   49    46    58    50  -0.03700  1.0 1.0
   49    46    58    50   0.37200 -1.0 2.0
   49    46    58    50  -0.47300  1.0 3.0
   49    46    58    59   0.43200  1.0 3.0
   49    46    58    60   0.43200  1.0 3.0
   49    46    53    33  -0.03700  1.0 1.0
   49    46    53    33   0.37200 -1.0 2.0
   49    46    53    33  -0.47300  1.0 3.0
   49    46    53    54  -0.64350  1.0 1.0
   49    46    53    54  -0.04200 -1.0 2.0
   49    46    53    54   0.19800  1.0 3.0
   49    46    53    55   0.43200  1.0 3.0
   49    56    61    62   3.62500 -1.0 2.0
   49    56    61    63   3.62500 -1.0 2.0
   49    71    76    77   0.00000  1.0 1.0
   49    71    76    78   0.00000  1.0 1.0
   49    71    76    47  -0.46400 -1.0 2.0
   56    49    71    64   3.62500 -1.0 2.0
   56    49    71    76   3.62500 -1.0 2.0
   56    61   -62    64   3.62500 -1.0 2.0
   56    61    62    66   3.62500 -1.0 2.0
   56    61    63    67   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    71   3.62500 -1.0 2.0
   61    62    66    72   1.63200 -1.0 2.0
   61    63    67    68   0.08050  1.0 3.0
   61    63    67    69   0.08050  1.0 3.0
   61    63    67    70   0.08050  1.0 3.0
   62    61    63    67   1.63200 -1.0 2.0
   62    64   -71    49   3.62500 -1.0 2.0
   62    64    71    76   3.62500 -1.0 2.0
   62    66    72    73   0.08050  1.0 3.0
   62    66    72    74   0.08050  1.0 3.0
   62    66    72    75   0.08050  1.0 3.0
   64    62    66    72   1.63200 -1.0 2.0
   64    71    76    77   0.00000  1.0 1.0
   64    71    76    78   0.00000  1.0 1.0
   64    71    76    47  -0.46400 -1.0 2.0
   65    64    71    49   3.62500 -1.0 2.0
   65    64    71    76   3.62500 -1.0 2.0
   71    49    56    57   3.62500 -1.0 2.0
   71    49   -56    61   3.62500 -1.0 2.0
   71    76   -47    44   0.03550  1.0 1.0
   71    76   -47    44   0.09800 -1.0 2.0
   71    76    47    48   0.17350  1.0 3.0
   71    76    47    50   0.03550  1.0 1.0
   71    76    47    50   0.09800 -1.0 2.0
   76    47    50    51   0.15000  1.0 3.0
   76    47    50    52   0.15000  1.0 3.0
   76    47    50    58   0.47100  1.0 1.0
   77    76    47    44   0.15000  1.0 3.0
   77    76    47    48   0.13050  1.0 3.0
   77    76    47    50   0.15000  1.0 3.0
   78    76    47    44   0.15000  1.0 3.0
   78    76    47    48   0.13050  1.0 3.0
   78    76    47    50   0.15000  1.0 3.0
   47    44   -46    49   1.24050  1.0 1.0
   47    44   -46    49   0.48100 -1.0 2.0
   47    44   -46    49   1.08150  1.0 3.0
   47    44   -46    58   1.36600  1.0 1.0
   47    44   -46    58  -0.11450 -1.0 2.0
   47    44   -46    58   0.24250  1.0 3.0
   47    44    46    53   1.36600  1.0 1.0
   47    44    46    53  -0.11450 -1.0 2.0
   47    44    46    53   0.24250  1.0 3.0
   47    50   -58    46   1.36600  1.0 1.0
   47    50   -58    46  -0.11450 -1.0 2.0
   47    50   -58    46   0.24250  1.0 3.0
   47    50    58    59   0.19200  1.0 3.0
   47    50    58    60   0.19200  1.0 3.0
   48    47    50    51   0.13050  1.0 3.0
   48    47    50    52   0.13050  1.0 3.0
   48    47    50    58   0.17350  1.0 3.0
   51    50    58    46   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   52    50    58    46   0.15000  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    60   0.15000  1.0 3.0
   58    46    49    56   0.04150 -1.0 2.0
   58    46    49    71   0.04150 -1.0 2.0
   58    46    53    33   0.56750  1.0 1.0
   58    46    53    33  -0.07550 -1.0 2.0
   58    46    53    33   0.20000  1.0 3.0
   58    46    53    54   0.62750  1.0 1.0
   58    46    53    54  -0.30950 -1.0 2.0
   58    46    53    54   0.27300  1.0 3.0
   58    46    53    55   0.15000  1.0 3.0
   66    62    64    65   3.62500 -1.0 2.0
   66    62    64    71   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    46    49    56   0.04150 -1.0 2.0
   53    46    49    71   0.04150 -1.0 2.0
   53    46    58    50   0.56750  1.0 1.0
   53    46    58    50  -0.07550 -1.0 2.0
   53    46    58    50   0.20000  1.0 3.0
   53    46    58    59   0.15000  1.0 3.0
   53    46    58    60   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   56    71    49    46   4.00000 -1.0 2.0
   61    57    56    49   1.10000 -1.0 2.0
   62    63    61    56   4.00000 -1.0 2.0
   64    66    62    61   4.00000 -1.0 2.0
   71    65    64    62   1.10000 -1.0 2.0
   64    76    71    49   4.00000 -1.0 2.0
END
