* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    131    211     395
    1     0 S   NP   _N1_     1    28.39899    98.23621   -20.63855
    2     1 S   H    _HN1     2     1.02776    90.74560  -100.50841
    3     1 S   H    _H1_     3     1.02957    67.69813     9.04865
    4     1 S   H    _H2_     4     1.02835    50.96061   146.84316
    5     1 S   CT   _CA1     5     1.50129   155.44957    99.52154
    6     5 S   HC   _HA1     6     1.09574   105.22367    96.82874
    7     5 S   CO3  _C1_     7     1.53802   112.34800   -23.37739
    8     7 S   O2Z  _O11     8     1.26368   115.00177   -44.07341
    9     7 S   O2Z  _O12     9     1.26237   114.94077   135.03877
   10     5 S   CT   _CB1    10     1.53099   107.42003  -145.24807
   11    10 S   HC   HB11    11     1.09826   109.37646   -50.37641
   12    10 S   HC   HB12    12     1.09816   110.41089    66.19556
   13    10 S   CT   _CG1    13     1.53005   112.64503  -171.44255
   14    13 S   HC   HG11    14     1.09597   110.47033   -63.61009
   15    13 S   HC   HG12    15     1.09654   109.94216    55.57848
   16    13 S   C    _CD1    16     1.51837   112.34081   175.97503
   17    16 S   O    _OE1    17     1.22745   123.30618    -0.82756
   18    16 S   N    _N2_    18     1.38517   111.65856   179.13679
   19    18 S   H    _HN2    19     1.01572   119.08993     4.51917
   20    18 S   CT1  _CA2    20     1.45889   123.02066   178.70759
   21    20 S   HC   _HA2    21     1.09717   108.94165    23.85942
   22    20 S   C    _C2_    22     1.52874   106.87940   -93.36624
   23    22 S   O    _O2_    23     1.23000   122.97726   -28.55502
   24    20 S   CT   _CB2    32     1.53124   111.95103   146.96284
   25    24 S   HC   HB21    33     1.09495   109.95890    55.57057
   26    24 S   HC   HB22    34     1.09532   110.48050   174.34127
   27    22 S   N    _N3_    24     1.38491   112.67993   154.06024
   28    27 S   H    _HN3    25     1.01662   120.38880    -1.50298
   29    24 S   S    _SG2    35     1.82634   110.99102   -65.79011
   30    27 S   CT   _CA3    26     1.45361   122.35566   178.76204
   31    30 S   HC   HA31    27     1.09572   107.58716   -60.28269
   32    30 S   HC   HA32    28     1.09572   107.79287    55.99684
   33    29 S   CT   _C16    36     1.84916    99.47771   168.70612
   34    33 S   HC   _H5_    37     1.09614   107.49465    21.40124
   35    30 S   CO3  _C3_    29     1.52868   114.46100   177.90239
   36    35 S   O2Z  _O31    30     1.26317   116.11314    -1.61725
   37    35 S   O2Z  _O32    31     1.26455   114.38759   178.42679
   38    33 S   CT   _C15    38     1.53914   108.48035   140.93969
   39    38 S   HC   _H4_    39     1.09953   109.44285    53.32925
   40    38 S   CT   _C14    40     1.53931   111.79507   173.17815
   41    40 S   HC   _H14    41     1.09799   110.18784    68.58002
   42    40 S   HC   _H15    42     1.09815   109.10476  -174.58427
   43    38 S   CO3  _C19    72     1.54305   114.75754   -68.77636
   44    43 S   O2Z  _O38    73     1.26256   116.21520   -33.64024
   45    43 S   O2Z  _O37    74     1.26514   114.44849   146.93882
   46    40 S   CT   _C13    43     1.53323   112.46982   -53.63026
   47    46 S   HC   _H3_    44     1.09777   107.51386   175.49667
   48    46 S   CT   _C18    45     1.53298   110.87842    54.50467
   49    48 S   HC   _H7_    46     1.09596   110.96776  -176.42571
   50    46 S   OS   _O34    53     1.44297   107.86714   -66.35006
   51    33 S   CT   _C17    47     1.54205   109.37706   -97.61935
   52    51 S   HC   _H6_    48     1.09781   109.88273   -53.01393
   53    48 S   OH   _O35    51     1.42892   109.39953    65.86365
   54    53 S   HO   _H16    52     0.97248   107.59634    60.08755
   55    50 S   CO4  _C12    54     1.35876   117.12098  -157.26042
   56    55 S   O    _O33    55     1.22023   127.02147     0.33455
   57    51 S   OH   _O36    49     1.42932   110.23647    64.94449
   58    57 S   HO   _H17    50     0.97213   107.64762   178.48457
   59    55 S   CM   _C11    56     1.47941   107.46162  -179.25401
   60    59 S   HC   _H13    57     1.08437   117.70269    -0.87982
   61    59 S   CM   _C10    58     1.34067   119.61383   179.62102
   62    61 S   HC   _H12    59     1.08794   120.22364     0.96408
   63    61 S   CA   _C9_    60     1.47255   124.37082   179.73386
   64    63 S   CA   _C4_    61     1.40336   122.74702    30.86085
   65    64 S   HA   _H8_    62     1.08726   121.11039    -0.76719
   66    64 S   CA   _C5_    63     1.39719   120.64518   178.61619
   67    66 S   HA   _H9_    64     1.08641   119.79673   179.82868
   68    66 S   CA   _C6_    65     1.39072   119.72653    -0.50552
   69    68 S   CA   _C7_    66     1.39144   120.64247    -0.23155
   70    69 S   HA   _H10    67     1.08603   121.01637  -179.66080
   71    68 S   OH   _O39    70     1.36587   118.23166  -180.00000
   72    71 S   HO   _H18    71     0.97241   108.59374   179.92867
   73    63 S   CA   _C8_    68     1.40397   118.57234  -151.75801
   74    73 S   HA   _H11    69     1.08823   120.55084     1.63889
  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
  17   8   2   1   1  14   8  13   6   5   4   1   1  12   6   9
   6   7   5   3   2   1   6   3   1   1   6   3   8   3   9   8
   4   7   3   6   5   3   2   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    52    57    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    48    49    51    52    57    58    53    43    44    45  
   38    39    40    48    51    52    57    43  
   36    37  
   37  
    0  
   39    40    41    42    46    47    48    51    52    57    50    43    44    45  
   40    41    42    46    51    43    44    45  
   41    42    46    47    48    49    51    53    50    55    43    44    45  
   42    46    47    48    50    43  
   46    47    48    50    43  
   44    45    46    51  
   45  
    0  
   47    48    49    51    52    57    53    54    50    55    56    59  
   48    49    51    53    50    55  
   49    51    52    57    58    53    54    50    55  
   51    52    57    53    54    50  
   55    56    59    60    61    51    53  
   52    57    58    53    54  
   57    58    53  
   54    57  
    0  
   56    59    60    61    62    63  
   59    60    61  
   58  
    0  
   60    61    62    63    64    73  
   61    62    63  
   62    63    64    65    66    69    73    74  
   63    64    73  
   64    65    66    67    68    69    70    73    74  
   65    66    67    68    69    73    74    71  
   66    67    68    73  
   67    68    69    70    73    71    72  
   68    69    71  
   69    70    73    74    71    72  
   70    73    74    71    72  
   73    74    71  
   72    73  
    0  
   74  
    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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    57   320.000  1.410
   57    58   553.000  0.945
   53    54   553.000  0.945
   50    55   214.000  1.327
   55    56   570.000  1.229
   55    59   320.000  1.462
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   340.000  1.080
   61    63   320.000  1.460
   63    64   469.000  1.400
   63    73   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    71   450.000  1.364
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   71    72   553.000  0.945
   43    44   656.000  1.250
   43    45   656.000  1.250
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    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    70.00000  109.69300
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    46    58.35000  112.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   40    38    39    37.50000  110.70000
   40    46    47    37.50000  110.70000
   40    46    48    58.35000  112.70000
   40    46    50    50.00000  109.50000
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    51    58.35000  112.70000
   46    48    53    50.00000  109.50000
   46    50    55    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    50.00000  109.50000
   48    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    57    58    55.00000  108.50000
   57    51    52    35.00000  109.50000
   53    48    49    35.00000  109.50000
   53    48    51    50.00000  109.50000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  109.50000
   50    55    56    83.00000  123.40000
   50    55    59    90.00000  111.29400
   55    59    60    40.00000  117.72500
   55    59    61    65.00000  118.96000
   59    55    56    80.00000  123.72100
   59    61    62    35.00000  120.00000
   59    61    63    60.00000  123.20500
   61    59    60    35.00000  120.00000
   61    63    64    60.00000  120.93500
   61    63    73    60.00000  120.93500
   63    61    62    40.00000  117.26300
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    73    69    63.00000  120.00000
   63    73    74    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    71    70.00000  120.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    73    63.00000  120.00000
   68    71    72    35.00000  113.00000
   69    73    74    35.00000  120.00000
   73    63    64    63.00000  120.00000
   73    69    70    35.00000  120.00000
   71    68    69    70.00000  120.00000
   43    38    39    35.00000  109.50000
   43    38    40    70.00000  109.69300
   45    43    44    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    57   0.56750  1.0 1.0
   29    33    51    57  -0.07550 -1.0 2.0
   29    33    51    57   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    46   0.56750  1.0 1.0
   33    38    40    46  -0.07550 -1.0 2.0
   33    38    40    46   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   33    51    57    58  -0.11600  1.0 1.0
   33    51    57    58  -0.09450 -1.0 2.0
   33    51    57    58   0.21250  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    43  -0.11250  1.0 3.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    57   0.23400  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    57   0.86500  1.0 1.0
   38    33    51    57  -0.17500 -1.0 2.0
   38    33    51    57   0.20800  1.0 3.0
   38    40    46    47   0.15000  1.0 3.0
   38    40   -46    48   0.56750  1.0 1.0
   38    40   -46    48  -0.07550 -1.0 2.0
   38    40   -46    48   0.20000  1.0 3.0
   38    40    46    50   0.62750  1.0 1.0
   38    40    46    50  -0.30950 -1.0 2.0
   38    40    46    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   40    38    43    44   0.41150 -1.0 2.0
   40    38    43    45   0.41150 -1.0 2.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    51   0.56750  1.0 1.0
   40    46    48    51  -0.07550 -1.0 2.0
   40    46    48    51   0.20000  1.0 3.0
   40    46    48    53   0.86500  1.0 1.0
   40    46    48    53  -0.17500 -1.0 2.0
   40    46    48    53   0.20800  1.0 3.0
   40    46    50    55  -0.25900  1.0 1.0
   40    46    50    55  -0.47000 -1.0 2.0
   40    46    50    55   0.11750  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    50   0.23400  1.0 3.0
   42    40    46    47   0.15000  1.0 3.0
   42    40    46    48   0.15000  1.0 3.0
   42    40    46    50   0.23400  1.0 3.0
   46    48   -51    33   0.56750  1.0 1.0
   46    48   -51    33  -0.07550 -1.0 2.0
   46    48   -51    33   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    57   0.86500  1.0 1.0
   46    48    51    57  -0.17500 -1.0 2.0
   46    48    51    57   0.20800  1.0 3.0
   46    48    53    54  -0.11600  1.0 1.0
   46    48    53    54  -0.09450 -1.0 2.0
   46    48    53    54   0.21250  1.0 3.0
   46    50    55    56   3.00000 -1.0 2.0
   46    50    55    59   2.00000 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    53   0.23400  1.0 3.0
   47    46    50    55   0.08050  1.0 3.0
   48    46    50    55  -0.25900  1.0 1.0
   48    46    50    55  -0.47000 -1.0 2.0
   48    46    50    55   0.11750  1.0 3.0
   48    51    57    58  -0.11600  1.0 1.0
   48    51    57    58  -0.09450 -1.0 2.0
   48    51    57    58   0.21250  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    57   0.23400  1.0 3.0
   49    48    53    54   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    43  -1.63150  1.0 1.0
   51    33    38    43  -0.43550 -1.0 2.0
   51    33    38    43   0.24500  1.0 3.0
   51    48    53    54  -0.11600  1.0 1.0
   51    48    53    54  -0.09450 -1.0 2.0
   51    48    53    54   0.21250  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   53    48    51    33   0.86500  1.0 1.0
   53    48    51    33  -0.17500 -1.0 2.0
   53    48    51    33   0.20800  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    57   3.75450  1.0 1.0
   50    46    48    49   0.23400  1.0 3.0
   50    46    48    51   0.62750  1.0 1.0
   50    46    48    51  -0.30950 -1.0 2.0
   50    46    48    51   0.27300  1.0 3.0
   50    46    48    53   3.69350  1.0 1.0
   50    46    48    53  -1.82950 -1.0 2.0
   50    55    59    60   1.63100 -1.0 2.0
   50    55    59    61  -0.56150  1.0 1.0
   50    55    59    61   2.19150 -1.0 2.0
   55    59    61    62   7.00000 -1.0 2.0
   55    59    61    63   7.00000 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   1.00000 -1.0 2.0
   59    61    63    64   0.15800  1.0 1.0
   59    61    63    64   1.85350 -1.0 2.0
   59    61    63    64  -0.48700  1.0 3.0
   59    61    63    73   0.15800  1.0 1.0
   59    61    63    73   1.85350 -1.0 2.0
   59    61    63    73  -0.48700  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    63   7.00000 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    66   3.62500 -1.0 2.0
   61    63    73    69   3.62500 -1.0 2.0
   61    63    73    74   3.62500 -1.0 2.0
   62    61    63    64   0.56550  1.0 3.0
   62    61    63    73   0.56550  1.0 3.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    68   3.62500 -1.0 2.0
   64    63    73    69   3.62500 -1.0 2.0
   64    63    73    74   3.62500 -1.0 2.0
   64    66   -68    69   3.62500 -1.0 2.0
   64    66    68    71   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    73   3.62500 -1.0 2.0
   66    68    71    72   0.84100 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    71   3.62500 -1.0 2.0
   68    69   -73    63   3.62500 -1.0 2.0
   68    69    73    74   3.62500 -1.0 2.0
   69    68    71    72   0.84100 -1.0 2.0
   70    69    73    63   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    63    64    65   3.62500 -1.0 2.0
   73    63   -64    66   3.62500 -1.0 2.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    73   3.62500 -1.0 2.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    46  -1.63150  1.0 1.0
   43    38    40    46  -0.43550 -1.0 2.0
   43    38    40    46   0.24500  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
   50    59    55    56  10.50000 -1.0 2.0
   55    60    59    61  15.00000 -1.0 2.0
   63    62    61    59  15.00000 -1.0 2.0
   64    73    63    61   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   69    71    68    66   4.00000 -1.0 2.0
   73    70    69    68   1.10000 -1.0 2.0
   69    74    73    63   1.10000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
END
