* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    142    236     425
    1     0 S   NP   _N1_     1    28.71762    95.59080   -22.84484
    2     1 S   H    _HN1     2     1.02954    78.97198    19.67484
    3     1 S   H    _H1_     3     1.02823    33.94609   165.34152
    4     1 S   H    _H2_     4     1.02780    99.94049   -87.26501
    5     1 S   CT   _CA1     5     1.50125   140.36381   128.38167
    6     5 S   HC   _HA1     6     1.09575   105.20417    80.24830
    7     5 S   CO3  _C1_     7     1.53794   112.40284   -39.94903
    8     7 S   O2Z  _O11     8     1.26371   115.01152   -43.39798
    9     7 S   O2Z  _O12     9     1.26243   114.94167   135.67980
   10     5 S   CT   _CB1    10     1.53075   107.39121  -161.83480
   11    10 S   HC   HB11    11     1.09830   109.33731   -50.20604
   12    10 S   HC   HB12    12     1.09816   110.44631    66.37550
   13    10 S   CT   _CG1    13     1.52982   112.63990  -171.23971
   14    13 S   HC   HG11    14     1.09592   110.53008   -64.96503
   15    13 S   HC   HG12    15     1.09665   109.89076    54.27259
   16    13 S   C    _CD1    16     1.51804   112.27448   174.63422
   17    16 S   O    _OE1    17     1.22727   123.29111     2.20034
   18    16 S   N    _N2_    18     1.38645   111.61982  -177.61181
   19    18 S   H    _HN2    19     1.01571   118.99633     1.86792
   20    18 S   CT1  _CA2    20     1.46239   123.43091   178.82081
   21    20 S   HC   _HA2    21     1.09739   109.32702     2.01800
   22    20 S   C    _C2_    22     1.53546   108.65996  -113.48910
   23    22 S   O    _O2_    23     1.23051   122.36050  -148.31213
   24    20 S   CT   _CB2    32     1.53431   111.55702   123.84726
   25    24 S   HC   HB21    33     1.09515   109.67779    56.66216
   26    24 S   HC   HB22    34     1.09375   110.02695   175.26641
   27    22 S   N    _N3_    24     1.38366   113.70438    39.18298
   28    27 S   H    _HN3    25     1.01585   119.55258    -3.41082
   29    24 S   S    _SG2    35     1.83383   111.04273   -63.33796
   30    27 S   CT   _CA3    26     1.45279   123.14687   177.04985
   31    30 S   HC   HA31    27     1.09551   107.51111   -64.32932
   32    30 S   HC   HA32    28     1.09559   107.97077    52.08645
   33    29 S   CT   _C14    36     1.93324   101.22695  -161.59481
   34    30 S   CO3  _C3_    29     1.52941   114.13774   174.08434
   35    34 S   O2Z  _O31    30     1.26369   116.08250    -0.73435
   36    34 S   O2Z  _O32    31     1.26433   114.40369   179.32594
   37    33 S   CO4  _C5_    37     1.51460    97.46029   -67.12903
   38    37 S   O    _O18    38     1.21798   128.97474    93.50128
   39    33 S   CT   _C11    55     1.53654   101.39034    77.41131
   40    39 S   OM   _O16    56     1.31787   112.80772  -152.16360
   41    39 S   HC   _H29    57     1.09880   112.05483   -20.06844
   42    37 S   OS   _O20    39     1.40730   105.59831   -81.18538
   43    42 S   CT   _C13    40     1.44970   109.55352   -30.53710
   44    43 S   HC   _H31    41     1.09502   103.33387  -116.21883
   45    43 S   CT   _C12    42     1.54204   119.71124   127.46740
   46    45 S   HC   _H30    43     1.09456   110.93757    60.24591
   47    45 S   CT   _C10    44     1.54000   110.76074  -173.40430
   48    47 S   HC   _H28    45     1.10488   106.39967  -177.32299
   49    47 S   CT   _C9_    46     1.55983    97.93919    72.86029
   50    49 S   HC   _H27    47     1.09516   110.17840   162.68687
   51    47 S   CM   _C7_    65     1.51528   118.76036   -61.32061
   52    49 S   CO4  _C4_    48     1.50380    96.12001    48.72125
   53    52 S   O    _O17    49     1.22024   126.27007   145.83145
   54    49 S   CT   _C16    51     1.55777   114.88964   -69.05279
   55    51 S   CM   _C6_    66     1.34249   123.63570   146.77562
   56    55 S   HC   _H23    67     1.08550   121.38682   176.83894
   57    55 S   HC   _H24    68     1.08289   122.26073    -0.95634
   58    51 S   CT   _C17    69     1.50771   116.79822   -40.59123
   59    58 S   HC   _H32    70     1.09518   110.16246   -49.91393
   60    58 S   HC   _H33    71     1.09253   111.41595    70.61900
   61    58 S   HC   _H34    72     1.09564   112.15560  -169.20074
   62    45 S   OS   _O19    50     1.43759   114.10664   -61.43411
   63    54 S   CT   _C8_    52     1.57100   120.22888   160.77388
   64    63 S   HC   _H25    53     1.09824   112.54273   108.96999
   65    63 S   HC   _H26    54     1.09675   109.13904    -8.56731
   66    33 S   CT   _C15    58     1.57923   125.92444  -167.85077
   67    54 S   OH   _O21    63     1.43602   105.25850   -81.36368
   68    67 S   HO   _H38    64     0.97254   107.92794   -68.73749
   69    66 S   CT   _C18    59     1.58272   114.14869   169.28996
   70    69 S   HC   _H35    60     1.09243   113.96001    72.87820
   71    69 S   HC   _H36    61     1.09520   112.77081   -49.84443
   72    69 S   HC   _H37    62     1.09802   110.17004  -168.86011
  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  12   5   4   3
  20   2   1   1  12   4  12   6   5   9  17   7  14   7  18   8
  15   8  10   6   2  11   6   2   1   3   2   1   1   1   6   3
   2   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    66    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    54    63    39    40    41    66    69  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    49    54    63    64    65    39    40    41    66    69    70    71    72    67  
   35    36  
   36  
    0  
   38    42    43    44    45    54    63    39    40    41    66    69  
   42    43    39    66  
   40    41    66    69    67    42    43    49    54    63    64    65  
   41    66    54    63    64    65  
   66    54    63    64    65  
   43    44    45    46    47    62    54    66    69  
   44    45    46    47    48    49    52    62    54    63    66    69    70    71    72    67    51  
   45    46    47    62    54    66    69  
   46    47    48    49    50    52    53    62    54    66    69    51    55    58  
   47    48    49    52    62    66    51  
   48    49    50    52    53    62    54    63    66    67    51    55    56    57    58    59    60    61  
   49    50    52    62    54    51    55    58  
   50    52    53    62    54    63    64    65    66    69    67    68    51    55    58  
   52    53    62    54    63    66    67    51  
   55    56    57    58    59    60    61    52    54    62  
   53    62    54    63    66    67  
   62    54  
   63    64    65    66    69    70    71    72    67    68    62  
   56    57    58    59    60    61  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   66  
   64    65    66    69    67    68  
   65    66    67  
   66    67  
   69    70    71    72    67    68  
   68    69  
    0  
   70    71    72  
   71    72  
   72  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   72   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    66   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    66   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    62   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   317.000  1.510
   49    50   340.000  1.090
   49    52   317.000  1.522
   49    54   268.000  1.529
   52    53   570.000  1.229
   52    62   214.000  1.327
   54    63   268.000  1.529
   54    66   268.000  1.529
   54    67   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    39   268.000  1.529
   39    40   570.000  1.307
   39    41   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   67    68   553.000  0.945
   51    55   549.000  1.340
   51    58   317.000  1.510
   55    56   340.000  1.080
   55    57   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    66    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    39    63    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    66    43    58.35000  112.70000
   33    66    54    58.35000  112.70000
   33    66    69    58.35000  112.70000
   37    42    43    83.00000  116.90000
   42    37    38    83.00000  123.40000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    66    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    58.35000  112.70000
   43    45    62    50.00000  109.50000
   43    66    54    58.35000  112.70000
   43    66    69    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    51    70.00000  112.02700
   45    62    52    83.00000  116.90000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    63.00000  111.10000
   47    49    54    58.35000  112.70000
   47    51    55    70.00000  124.00000
   47    51    58    65.00000  117.92700
   49    47    48    37.50000  110.70000
   49    52    53    80.00000  120.40000
   49    52    62    81.00000  111.40000
   49    54    63    58.35000  112.70000
   49    54    66    58.35000  112.70000
   49    54    67    50.00000  109.50000
   52    49    50    35.00000  109.50000
   62    45    46    35.00000  109.50000
   62    45    47    50.00000  109.50000
   62    52    53    83.00000  123.40000
   54    49    50    37.50000  110.70000
   54    49    52    63.00000  111.10000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    39    58.35000  112.70000
   54    66    69    58.35000  112.70000
   54    67    68    55.00000  108.50000
   63    39    40    50.00000  109.50000
   63    39    41    37.50000  110.70000
   65    63    64    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    63    64    37.50000  110.70000
   39    63    65    37.50000  110.70000
   41    39    40    45.00000  125.66300
   66    33    37    63.00000  111.10000
   66    33    39    58.35000  112.70000
   66    43    44    37.50000  110.70000
   66    43    45    58.35000  112.70000
   66    54    63    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   67    54    63    50.00000  109.50000
   67    54    66    50.00000  109.50000
   51    47    48    35.00000  109.50000
   51    47    49    70.00000  112.02700
   51    55    56    35.00000  120.00000
   51    55    57    35.00000  120.00000
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    61    35.00000  109.50000
   57    55    56    35.00000  117.00000
   58    51    55    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.40000  1.0 3.0
   29    33    39    63   0.44750  1.0 1.0
   29    33    39    63  -0.17800 -1.0 2.0
   29    33    39    63   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    66    43   0.44750  1.0 1.0
   29    33    66    43  -0.17800 -1.0 2.0
   29    33    66    43   0.20200  1.0 3.0
   29    33    66    54   0.44750  1.0 1.0
   29    33    66    54  -0.17800 -1.0 2.0
   29    33    66    54   0.20200  1.0 3.0
   29    33    66    69   0.44750  1.0 1.0
   29    33    66    69  -0.17800 -1.0 2.0
   29    33    66    69   0.20200  1.0 3.0
   33    37   -42    43   1.63150  1.0 1.0
   33    37   -42    43   2.92000 -1.0 2.0
   33    66    69    70   0.15000  1.0 3.0
   33    66    69    71   0.15000  1.0 3.0
   33    66    69    72   0.15000  1.0 3.0
   37    33    39    63  -0.95700  1.0 1.0
   37    33    39    63  -0.18200 -1.0 2.0
   37    33    39    63   0.29450  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33   -66    43  -0.95700  1.0 1.0
   37    33   -66    43  -0.18200 -1.0 2.0
   37    33   -66    43   0.29450  1.0 3.0
   37    33    66    54  -0.95700  1.0 1.0
   37    33    66    54  -0.18200 -1.0 2.0
   37    33    66    54   0.29450  1.0 3.0
   37    33    66    69  -0.95700  1.0 1.0
   37    33    66    69  -0.18200 -1.0 2.0
   37    33    66    69   0.29450  1.0 3.0
   37    42    43    44   0.08050  1.0 3.0
   37    42    43    45  -0.25900  1.0 1.0
   37    42    43    45  -0.47000 -1.0 2.0
   37    42    43    45   0.11750  1.0 3.0
   37    42   -43    66  -0.25900  1.0 1.0
   37    42   -43    66  -0.47000 -1.0 2.0
   37    42   -43    66   0.11750  1.0 3.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.62750  1.0 1.0
   42    43    45    47  -0.30950 -1.0 2.0
   42    43    45    47   0.27300  1.0 3.0
   42    43    45    62   1.11900  1.0 1.0
   42    43    45    62  -1.16350 -1.0 2.0
   42    43    45    62  -0.34150  1.0 3.0
   42    43   -66    33   0.62750  1.0 1.0
   42    43   -66    33  -0.30950 -1.0 2.0
   42    43   -66    33   0.27300  1.0 3.0
   42    43    66    54   0.62750  1.0 1.0
   42    43    66    54  -0.30950 -1.0 2.0
   42    43    66    54   0.27300  1.0 3.0
   42    43    66    69   0.62750  1.0 1.0
   42    43    66    69  -0.30950 -1.0 2.0
   42    43    66    69   0.27300  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    49   0.56750  1.0 1.0
   43    45    47    49  -0.07550 -1.0 2.0
   43    45    47    49   0.20000  1.0 3.0
   43    45    47    51   0.34400  1.0 1.0
   43    45    47    51   0.09450 -1.0 2.0
   43    45    47    51   0.11100  1.0 3.0
   43    45    62    52  -0.25900  1.0 1.0
   43    45    62    52  -0.47000 -1.0 2.0
   43    45    62    52   0.11750  1.0 3.0
   43    66    69    70   0.15000  1.0 3.0
   43    66    69    71   0.15000  1.0 3.0
   43    66    69    72   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    62   0.23400  1.0 3.0
   44    43    66    33   0.15000  1.0 3.0
   44    43    66    54   0.15000  1.0 3.0
   44    43    66    69   0.15000  1.0 3.0
   45    43    66    33   0.56750  1.0 1.0
   45    43    66    33  -0.07550 -1.0 2.0
   45    43    66    33   0.20000  1.0 3.0
   45    43    66    54   0.56750  1.0 1.0
   45    43    66    54  -0.07550 -1.0 2.0
   45    43    66    54   0.20000  1.0 3.0
   45    43    66    69   0.56750  1.0 1.0
   45    43    66    69  -0.07550 -1.0 2.0
   45    43    66    69   0.20000  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47   -49    52  -0.95700  1.0 1.0
   45    47   -49    52  -0.18200 -1.0 2.0
   45    47   -49    52   0.29450  1.0 3.0
   45    47   -49    54   0.56750  1.0 1.0
   45    47   -49    54  -0.07550 -1.0 2.0
   45    47   -49    54   0.20000  1.0 3.0
   45    47    51    55   0.09850  1.0 1.0
   45    47    51    55   0.15250 -1.0 2.0
   45    47    51    55  -0.50650  1.0 3.0
   45    47    51    58   0.46850  1.0 1.0
   45    47    51    58   0.08550 -1.0 2.0
   45    47    51    58   0.09800  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    62    52   0.08050  1.0 3.0
   47    45   -62    52  -0.25900  1.0 1.0
   47    45   -62    52  -0.47000 -1.0 2.0
   47    45   -62    52   0.11750  1.0 3.0
   47    49    52    53   0.30150 -1.0 2.0
   47    49   -52    62   0.36750  1.0 3.0
   47    49    54    63   0.56750  1.0 1.0
   47    49    54    63  -0.07550 -1.0 2.0
   47    49    54    63   0.20000  1.0 3.0
   47    49    54    66   0.56750  1.0 1.0
   47    49    54    66  -0.07550 -1.0 2.0
   47    49    54    66   0.20000  1.0 3.0
   47    49    54    67   0.86500  1.0 1.0
   47    49    54    67  -0.17500 -1.0 2.0
   47    49    54    67   0.20800  1.0 3.0
   47    51    55    56   7.00000 -1.0 2.0
   47    51    55    57   7.00000 -1.0 2.0
   47    51    58    59   0.34800  1.0 3.0
   47    51    58    60   0.34800  1.0 3.0
   47    51    58    61   0.34800  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52  -0.11250  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    51    55   0.00000  1.0 1.0
   48    47    51    58   0.34800  1.0 3.0
   49    47    51    55   0.09850  1.0 1.0
   49    47    51    55   0.15250 -1.0 2.0
   49    47    51    55  -0.50650  1.0 3.0
   49    47    51    58   0.46850  1.0 1.0
   49    47    51    58   0.08550 -1.0 2.0
   49    47    51    58   0.09800  1.0 3.0
   49    52   -62    45   1.63150  1.0 1.0
   49    52   -62    45   2.92000 -1.0 2.0
   49    54    63    64   0.15000  1.0 3.0
   49    54    63    65   0.15000  1.0 3.0
   49    54    63    39   0.56750  1.0 1.0
   49    54    63    39  -0.07550 -1.0 2.0
   49    54    63    39   0.20000  1.0 3.0
   49    54    66    33   0.56750  1.0 1.0
   49    54    66    33  -0.07550 -1.0 2.0
   49    54    66    33   0.20000  1.0 3.0
   49    54   -66    43   0.56750  1.0 1.0
   49    54   -66    43  -0.07550 -1.0 2.0
   49    54   -66    43   0.20000  1.0 3.0
   49    54    66    69   0.56750  1.0 1.0
   49    54    66    69  -0.07550 -1.0 2.0
   49    54    66    69   0.20000  1.0 3.0
   49    54    67    68  -0.11600  1.0 1.0
   49    54    67    68  -0.09450 -1.0 2.0
   49    54    67    68   0.21250  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    62   0.00000  1.0 1.0
   50    49    54    63   0.15000  1.0 3.0
   50    49    54    66   0.15000  1.0 3.0
   50    49    54    67   0.23400  1.0 3.0
   52    49    54    63  -0.95700  1.0 1.0
   52    49    54    63  -0.18200 -1.0 2.0
   52    49    54    63   0.29450  1.0 3.0
   52    49    54    66  -0.95700  1.0 1.0
   52    49    54    66  -0.18200 -1.0 2.0
   52    49    54    66   0.29450  1.0 3.0
   52    49    54    67  -0.09450  1.0 1.0
   52    49    54    67  -1.12950 -1.0 2.0
   52    49    54    67   0.54000  1.0 3.0
   53    52    62    45   3.00000 -1.0 2.0
   62    45    47    48   0.23400  1.0 3.0
   62    45   -47    49   0.62750  1.0 1.0
   62    45   -47    49  -0.30950 -1.0 2.0
   62    45   -47    49   0.27300  1.0 3.0
   62    45    47    51   0.61850  1.0 1.0
   62    45    47    51  -0.22750 -1.0 2.0
   62    45    47    51   0.15300  1.0 3.0
   54    49    52    53   0.30150 -1.0 2.0
   54    49    52    62   0.36750  1.0 3.0
   54    63   -39    33   0.56750  1.0 1.0
   54    63   -39    33  -0.07550 -1.0 2.0
   54    63   -39    33   0.20000  1.0 3.0
   54    63    39    40   0.62750  1.0 1.0
   54    63    39    40  -0.30950 -1.0 2.0
   54    63    39    40   0.27300  1.0 3.0
   54    63    39    41   0.15000  1.0 3.0
   54    66    69    70   0.15000  1.0 3.0
   54    66    69    71   0.15000  1.0 3.0
   54    66    69    72   0.15000  1.0 3.0
   63    54   -66    33   0.56750  1.0 1.0
   63    54   -66    33  -0.07550 -1.0 2.0
   63    54   -66    33   0.20000  1.0 3.0
   63    54    66    43   0.56750  1.0 1.0
   63    54    66    43  -0.07550 -1.0 2.0
   63    54    66    43   0.20000  1.0 3.0
   63    54    66    69   0.56750  1.0 1.0
   63    54    66    69  -0.07550 -1.0 2.0
   63    54    66    69   0.20000  1.0 3.0
   63    54    67    68  -0.11600  1.0 1.0
   63    54    67    68  -0.09450 -1.0 2.0
   63    54    67    68   0.21250  1.0 3.0
   64    63    39    33   0.15000  1.0 3.0
   64    63    39    40   0.23400  1.0 3.0
   64    63    39    41   0.15000  1.0 3.0
   65    63    39    33   0.15000  1.0 3.0
   65    63    39    40   0.23400  1.0 3.0
   65    63    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    66    43   0.56750  1.0 1.0
   39    33    66    43  -0.07550 -1.0 2.0
   39    33    66    43   0.20000  1.0 3.0
   39    33   -66    54   0.56750  1.0 1.0
   39    33   -66    54  -0.07550 -1.0 2.0
   39    33   -66    54   0.20000  1.0 3.0
   39    33    66    69   0.56750  1.0 1.0
   39    33    66    69  -0.07550 -1.0 2.0
   39    33    66    69   0.20000  1.0 3.0
   66    33    37    38   0.30150 -1.0 2.0
   66    33   -37    42   0.36750  1.0 3.0
   66    33   -39    63   0.56750  1.0 1.0
   66    33   -39    63  -0.07550 -1.0 2.0
   66    33   -39    63   0.20000  1.0 3.0
   66    33    39    40   0.62750  1.0 1.0
   66    33    39    40  -0.30950 -1.0 2.0
   66    33    39    40   0.27300  1.0 3.0
   66    33    39    41   0.15000  1.0 3.0
   66    43    45    46   0.15000  1.0 3.0
   66    43   -45    47   0.56750  1.0 1.0
   66    43   -45    47  -0.07550 -1.0 2.0
   66    43   -45    47   0.20000  1.0 3.0
   66    43    45    62   0.62750  1.0 1.0
   66    43    45    62  -0.30950 -1.0 2.0
   66    43    45    62   0.27300  1.0 3.0
   66    54    63    64   0.15000  1.0 3.0
   66    54    63    65   0.15000  1.0 3.0
   66    54   -63    39   0.56750  1.0 1.0
   66    54   -63    39  -0.07550 -1.0 2.0
   66    54   -63    39   0.20000  1.0 3.0
   66    54    67    68  -0.11600  1.0 1.0
   66    54    67    68  -0.09450 -1.0 2.0
   66    54    67    68   0.21250  1.0 3.0
   67    54    63    64   0.23400  1.0 3.0
   67    54    63    65   0.23400  1.0 3.0
   67    54    63    39   0.86500  1.0 1.0
   67    54    63    39  -0.17500 -1.0 2.0
   67    54    63    39   0.20800  1.0 3.0
   67    54    66    33   0.86500  1.0 1.0
   67    54    66    33  -0.17500 -1.0 2.0
   67    54    66    33   0.20800  1.0 3.0
   67    54    66    43   0.86500  1.0 1.0
   67    54    66    43  -0.17500 -1.0 2.0
   67    54    66    43   0.20800  1.0 3.0
   67    54    66    69   0.86500  1.0 1.0
   67    54    66    69  -0.17500 -1.0 2.0
   67    54    66    69   0.20800  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    52  -0.98800  1.0 1.0
   51    47    49    52   0.48800 -1.0 2.0
   51    47    49    52   0.76800  1.0 3.0
   51    47    49    54   0.34400  1.0 1.0
   51    47    49    54   0.09450 -1.0 2.0
   51    47    49    54   0.11100  1.0 3.0
   55    51    58    59   0.00000  1.0 1.0
   55    51    58    60   0.00000  1.0 1.0
   55    51    58    61   0.00000  1.0 1.0
   58    51    55    56   7.00000 -1.0 2.0
   58    51    55    57   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   49    62    52    53  10.50000 -1.0 2.0
   47    58    51    55  15.00000 -1.0 2.0
   56    57    55    51  15.00000 -1.0 2.0
END
