* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    222     411
    1     0 S   NP   _N1_     1    28.81228    94.55794   -20.57161
    2     1 S   H    _HN1     2     1.02962    93.36610    30.05002
    3     1 S   H    _H1_     3     1.02838    31.97116   147.42182
    4     1 S   H    _H2_     4     1.02778    85.75768   -78.10033
    5     1 S   CT   _CA1     5     1.50114   142.21604   160.29145
    6     5 S   HC   _HA1     6     1.09567   105.27147    51.95139
    7     5 S   CO3  _C1_     7     1.53831   112.34641   -68.38949
    8     7 S   O2Z  _O11     8     1.26366   115.00204   -43.62909
    9     7 S   O2Z  _O12     9     1.26235   114.94101   135.59098
   10     5 S   CT   _CB1    10     1.53090   107.44651   169.99396
   11    10 S   HC   HB11    11     1.09820   109.50868   -49.50436
   12    10 S   HC   HB12    12     1.09831   110.33383    67.09983
   13    10 S   CT   _CG1    13     1.53009   112.64183  -170.59149
   14    13 S   HC   HG11    14     1.09570   110.36796   -60.10138
   15    13 S   HC   HG12    15     1.09628   110.13620    59.08903
   16    13 S   C    _CD1    16     1.51795   112.17020   179.40950
   17    16 S   O    _OE1    17     1.22727   123.19867    -9.40826
   18    16 S   N    _N2_    18     1.38599   111.66814   170.87196
   19    18 S   H    _HN2    19     1.01584   119.03934     1.80374
   20    18 S   CT1  _CA2    20     1.46297   123.41850  -176.79387
   21    20 S   HC   _HA2    21     1.09730   109.37914   -13.83895
   22    20 S   C    _C2_    22     1.53370   108.38105  -129.65370
   23    22 S   O    _O2_    23     1.23007   122.29005  -145.86503
   24    20 S   CT   _CB2    32     1.53467   111.12268   108.15692
   25    24 S   HC   HB21    33     1.09576   109.49378    55.65815
   26    24 S   HC   HB22    34     1.09497   110.79664   174.34078
   27    22 S   N    _N3_    24     1.38527   113.32916    41.53842
   28    27 S   H    _HN3    25     1.01529   118.90033    -0.58517
   29    24 S   S    _SG2    35     1.82854   111.44071   -66.00320
   30    27 S   CT   _CA3    26     1.45448   123.42533   175.06565
   31    30 S   HC   HA31    27     1.09525   109.20717    24.99304
   32    30 S   HC   HA32    28     1.09495   107.13019   141.99547
   33    29 S   CT   _C11    36     1.83187    99.72411   148.42104
   34    33 S   HC   _H3_    37     1.09498   110.70863   -40.74504
   35    30 S   CO3  _C3_    29     1.52928   113.13167   -98.46013
   36    35 S   O2Z  _O31    30     1.26401   115.41167   -44.26229
   37    35 S   O2Z  _O32    31     1.26356   114.97705   136.67189
   38    33 S   CM   _C4_    38     1.49208   108.93896    80.85864
   39    38 S   HC   _H20    39     1.08361   123.33206   -46.20460
   40    38 S   CMA  _C5_    40     1.34171   113.71108   135.89551
   41    40 S   OM   _O16    41     1.25894   132.87641   178.20681
   42    40 S   CT   _C16    42     1.55182   109.75422     1.48727
   43    42 S   CT   _C9_    43     1.56001   112.94818  -138.71505
   44    43 S   HC   _H23    44     1.09970   109.35720    24.18688
   45    43 S   HC   _H24    45     1.09944   108.61122   -89.91195
   46    33 S   CT   _C13    59     1.55187   112.28766  -165.93598
   47    46 S   HC   _H29    60     1.10100   107.33291   -29.85641
   48    42 S   CT   _C18    68     1.55315   106.66336   100.11861
   49    48 S   HC   _H35    69     1.09094   112.89166  -179.66023
   50    48 S   HC   _H36    70     1.09693   111.39011    61.01662
   51    48 S   HC   _H37    71     1.09658   111.61021   -58.63873
   52    43 S   CT   _C12    46     1.53216   117.77473   144.90382
   53    52 S   HC   _H28    47     1.09906   108.81325   -78.44284
   54    52 S   CM   _C6_    48     1.49470   115.52390   162.28331
   55    54 S   CO4  _C7_    49     1.47665   108.33844  -148.85083
   56    55 S   O    _O17    50     1.21737   127.19433  -169.31620
   57    54 S   CM   _C8_    65     1.33609   130.15055    30.03783
   58    57 S   HC   _H21    66     1.08478   121.13426     0.92408
   59    57 S   HC   _H22    67     1.08521   121.68010  -179.32449
   60    55 S   OS   _O18    51     1.36233   106.84005     9.43482
   61    52 S   CT   _C15    52     1.51719   115.79683    45.55401
   62    61 S   HC   _H31    53     1.09405   113.21488    38.72294
   63    61 S   CT   _C10    54     1.52590   113.41511   -88.72346
   64    63 S   HC   _H25    55     1.09952   108.70916   -55.79591
   65    63 S   HC   _H26    56     1.09932   107.76829  -168.32006
   66    63 S   CT   _C14    57     1.54299   117.18342    68.83970
   67    66 S   HC   _H30    58     1.09517   107.84894    68.62396
   68    66 S   CT   _C17    61     1.53815   106.89770  -178.75856
   69    68 S   HC   _H32    62     1.09468   111.53809    66.69903
   70    68 S   HC   _H33    63     1.09608   110.56630   -52.75247
   71    68 S   HC   _H34    64     1.09363   111.69616  -170.92706
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  17  18   7   6  16   5   5
   2   1   1  14   7   9   8   3   4   1   1   6   7   4   8   4
   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    66    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    63    66    67    46    47    68    48  
   38    39    40    42    66    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    66    46    47    48  
   40    41    42    46  
   41    42    43    44    45    52    66    46    47    48    49    50    51  
   42    43    46    48  
   43    44    45    52    53    54    61    63    66    67    46    47    68    48    49    50    51  
   44    45    52    53    54    55    60    61    62    63    66    46    47    57    48    49    50    51  
   45    52    53    54    61    46    48  
   52    53    54    61    46    48  
   47    68    69    70    71    48    49    50    51    52    61    63    64    65    66    67  
   68    48    63    66    67  
   49    50    51    52    66  
   50    51  
   51  
    0  
   53    54    55    56    60    61    62    63    64    65    66    57    58    59  
   54    55    60    61    62    63    57  
   55    56    60    61    62    63    57    58    59  
   56    60    61    62    63    57    58    59  
   60    61    57  
   58    59    60    61  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66    67    68  
   63    64    65    66  
   64    65    66    67    68    69    70    71  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    46   268.000  1.529
   42    48   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   268.000  1.529
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    61   268.000  1.529
   54    55   320.000  1.462
   54    57   549.000  1.340
   55    56   570.000  1.229
   55    60   214.000  1.327
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    46   268.000  1.529
   66    68   268.000  1.529
   46    47   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    42    58.35000  112.70000
   33    46    66    58.35000  112.70000
   33    46    47    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    46    70.00000  112.02700
   40    42    48    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    45    37.50000  110.70000
   42    43    52    58.35000  112.70000
   42    46    66    58.35000  112.70000
   42    46    47    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    54    70.00000  112.02700
   43    52    61    58.35000  112.70000
   45    43    44    33.00000  107.80000
   52    43    44    37.50000  110.70000
   52    43    45    37.50000  110.70000
   52    54    55    65.00000  116.34900
   52    54    57    70.00000  124.00000
   52    61    60    50.00000  109.50000
   52    61    62    37.50000  110.70000
   52    61    63    58.35000  112.70000
   54    52    53    35.00000  109.50000
   54    55    56    80.00000  123.72100
   54    55    60    90.00000  111.29400
   54    57    58    35.00000  120.00000
   54    57    59    35.00000  120.00000
   55    60    61    83.00000  116.90000
   60    55    56    83.00000  123.40000
   60    61    62    35.00000  109.50000
   60    61    63    50.00000  109.50000
   61    52    53    37.50000  110.70000
   61    52    54    70.00000  112.02700
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    58.35000  112.70000
   63    61    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    46    58.35000  112.70000
   63    66    68    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    46    47    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    71    37.50000  110.70000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    42    43    58.35000  112.70000
   46    66    67    37.50000  110.70000
   68    66    67    37.50000  110.70000
   68    66    46    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   57    54    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   48    42    43    58.35000  112.70000
   48    42    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    42   0.44750  1.0 1.0
   29    33    46    42  -0.17800 -1.0 2.0
   29    33    46    42   0.20200  1.0 3.0
   29    33    46    66   0.44750  1.0 1.0
   29    33    46    66  -0.17800 -1.0 2.0
   29    33    46    66   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    42   0.15000  1.0 3.0
   34    33    46    66   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   38    33   -46    42   0.34400  1.0 1.0
   38    33   -46    42   0.09450 -1.0 2.0
   38    33   -46    42   0.11100  1.0 3.0
   38    33    46    66   0.34400  1.0 1.0
   38    33    46    66   0.09450 -1.0 2.0
   38    33    46    66   0.11100  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    40    42    43   0.09850  1.0 1.0
   38    40    42    43   0.15250 -1.0 2.0
   38    40    42    43  -0.50650  1.0 3.0
   38    40   -42    46   0.09850  1.0 1.0
   38    40   -42    46   0.15250 -1.0 2.0
   38    40   -42    46  -0.50650  1.0 3.0
   38    40    42    48   0.09850  1.0 1.0
   38    40    42    48   0.15250 -1.0 2.0
   38    40    42    48  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    45   0.15000  1.0 3.0
   40    42    43    52   0.34400  1.0 1.0
   40    42    43    52   0.09450 -1.0 2.0
   40    42    43    52   0.11100  1.0 3.0
   40    42   -46    33   0.34400  1.0 1.0
   40    42   -46    33   0.09450 -1.0 2.0
   40    42   -46    33   0.11100  1.0 3.0
   40    42    46    66   0.34400  1.0 1.0
   40    42    46    66   0.09450 -1.0 2.0
   40    42    46    66   0.11100  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    48    49   0.15000  1.0 3.0
   40    42    48    50   0.15000  1.0 3.0
   40    42    48    51   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   41    40    42    48   0.09700  1.0 1.0
   41    40    42    48   0.15600 -1.0 2.0
   41    40    42    48  -0.50800  1.0 3.0
   42    43    52    53   0.15000  1.0 3.0
   42    43    52    54   0.34400  1.0 1.0
   42    43    52    54   0.09450 -1.0 2.0
   42    43    52    54   0.11100  1.0 3.0
   42    43    52    61   0.56750  1.0 1.0
   42    43    52    61  -0.07550 -1.0 2.0
   42    43    52    61   0.20000  1.0 3.0
   43    42    46    33   0.56750  1.0 1.0
   43    42    46    33  -0.07550 -1.0 2.0
   43    42    46    33   0.20000  1.0 3.0
   43    42    46    66   0.56750  1.0 1.0
   43    42    46    66  -0.07550 -1.0 2.0
   43    42    46    66   0.20000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    52    54    55   0.09700  1.0 1.0
   43    52    54    55   0.15600 -1.0 2.0
   43    52    54    55  -0.50800  1.0 3.0
   43    52    54    57   0.09850  1.0 1.0
   43    52    54    57   0.15250 -1.0 2.0
   43    52    54    57  -0.50650  1.0 3.0
   43    52    61    60   0.62750  1.0 1.0
   43    52    61    60  -0.30950 -1.0 2.0
   43    52    61    60   0.27300  1.0 3.0
   43    52    61    62   0.15000  1.0 3.0
   43    52    61    63   0.56750  1.0 1.0
   43    52    61    63  -0.07550 -1.0 2.0
   43    52    61    63   0.20000  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   44    43    52    61   0.15000  1.0 3.0
   45    43    52    53   0.15000  1.0 3.0
   45    43    52    54   0.15000  1.0 3.0
   45    43    52    61   0.15000  1.0 3.0
   52    54    55    56  -0.64400  1.0 1.0
   52    54    55    56   0.26850 -1.0 2.0
   52    54   -55    60  -0.15000  1.0 1.0
   52    54   -55    60   0.89550 -1.0 2.0
   52    54   -55    60  -0.06900  1.0 3.0
   52    54    57    58   7.00000 -1.0 2.0
   52    54    57    59   7.00000 -1.0 2.0
   52    61    63    64   0.15000  1.0 3.0
   52    61    63    65   0.15000  1.0 3.0
   52    61    63    66   0.56750  1.0 1.0
   52    61    63    66  -0.07550 -1.0 2.0
   52    61    63    66   0.20000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    57   0.00000  1.0 1.0
   53    52    61    60   0.23400  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   54    52   -61    60   0.61850  1.0 1.0
   54    52   -61    60  -0.22750 -1.0 2.0
   54    52   -61    60   0.15300  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.34400  1.0 1.0
   54    52    61    63   0.09450 -1.0 2.0
   54    52    61    63   0.11100  1.0 3.0
   54    55   -60    61   2.00000 -1.0 2.0
   55    54    57    58   7.00000 -1.0 2.0
   55    54    57    59   7.00000 -1.0 2.0
   55    60   -61    52  -0.25900  1.0 1.0
   55    60   -61    52  -0.47000 -1.0 2.0
   55    60   -61    52   0.11750  1.0 3.0
   55    60    61    62   0.08050  1.0 3.0
   55    60    61    63  -0.25900  1.0 1.0
   55    60    61    63  -0.47000 -1.0 2.0
   55    60    61    63   0.11750  1.0 3.0
   56    55    60    61   3.00000 -1.0 2.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.23400  1.0 3.0
   60    61    63    66   0.62750  1.0 1.0
   60    61    63    66  -0.30950 -1.0 2.0
   60    61    63    66   0.27300  1.0 3.0
   61    52   -54    55   0.09700  1.0 1.0
   61    52   -54    55   0.15600 -1.0 2.0
   61    52   -54    55  -0.50800  1.0 3.0
   61    52    54    57   0.09850  1.0 1.0
   61    52    54    57   0.15250 -1.0 2.0
   61    52    54    57  -0.50650  1.0 3.0
   61    63    66    67   0.15000  1.0 3.0
   61    63    66    46   0.56750  1.0 1.0
   61    63    66    46  -0.07550 -1.0 2.0
   61    63    66    46   0.20000  1.0 3.0
   61    63    66    68   0.56750  1.0 1.0
   61    63    66    68  -0.07550 -1.0 2.0
   61    63    66    68   0.20000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   63    66    46    33   0.56750  1.0 1.0
   63    66    46    33  -0.07550 -1.0 2.0
   63    66    46    33   0.20000  1.0 3.0
   63    66    46    42   0.56750  1.0 1.0
   63    66    46    42  -0.07550 -1.0 2.0
   63    66    46    42   0.20000  1.0 3.0
   63    66    46    47   0.15000  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.15000  1.0 3.0
   63    66    68    71   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    46   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    46   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   67    66    46    33   0.15000  1.0 3.0
   67    66    46    42   0.15000  1.0 3.0
   67    66    46    47   0.15000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    45   0.15000  1.0 3.0
   46    42    43    52   0.56750  1.0 1.0
   46    42    43    52  -0.07550 -1.0 2.0
   46    42    43    52   0.20000  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    50   0.15000  1.0 3.0
   46    42    48    51   0.15000  1.0 3.0
   46    66    68    69   0.15000  1.0 3.0
   46    66    68    70   0.15000  1.0 3.0
   46    66    68    71   0.15000  1.0 3.0
   68    66    46    33   0.56750  1.0 1.0
   68    66    46    33  -0.07550 -1.0 2.0
   68    66    46    33   0.20000  1.0 3.0
   68    66    46    42   0.56750  1.0 1.0
   68    66    46    42  -0.07550 -1.0 2.0
   68    66    46    42   0.20000  1.0 3.0
   68    66    46    47   0.15000  1.0 3.0
   57    54    55    56   1.00000 -1.0 2.0
   57    54    55    60  -0.56150  1.0 1.0
   57    54    55    60   2.19150 -1.0 2.0
   48    42    43    44   0.15000  1.0 3.0
   48    42    43    45   0.15000  1.0 3.0
   48    42    43    52   0.56750  1.0 1.0
   48    42    43    52  -0.07550 -1.0 2.0
   48    42    43    52   0.20000  1.0 3.0
   48    42    46    33   0.56750  1.0 1.0
   48    42    46    33  -0.07550 -1.0 2.0
   48    42    46    33   0.20000  1.0 3.0
   48    42    46    66   0.56750  1.0 1.0
   48    42    46    66  -0.07550 -1.0 2.0
   48    42    46    66   0.20000  1.0 3.0
   48    42    46    47   0.15000  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   52    55    54    57   1.10000 -1.0 2.0
   54    60    55    56  10.50000 -1.0 2.0
   58    59    57    54   1.10000 -1.0 2.0
END
