* LIGAND DATABASE FILE (OPLS2005)
*
001      73    72    128    184     372
    1     0 S   NP   _N1_     1    29.06709    95.00306   -19.27769
    2     1 S   H    _HN1     2     1.02706    75.70514   -74.01186
    3     1 S   H    _H1_     3     1.03556    96.49611    32.47945
    4     1 S   H    _H2_     4     1.02866    39.43437   141.40830
    5     1 S   CT   _CA1     5     1.50324   145.97553   177.03245
    6     5 S   HC   _HA1     6     1.09703   104.59338    42.11473
    7     5 S   CO3  _C1_     7     1.54397   110.88941   -73.58832
    8     7 S   O2Z  _O11     8     1.26022   116.75607  -114.68084
    9     7 S   O2Z  _O12     9     1.26606   113.73920    64.53406
   10     5 S   CT   _CB1    10     1.53144   107.00688   157.82955
   11    10 S   HC   HB11    11     1.09822   109.60747   -44.95874
   12    10 S   HC   HB12    12     1.09780   110.41496    71.63103
   13    10 S   CT   _CG1    13     1.53067   112.44815  -165.91363
   14    13 S   HC   HG11    14     1.09469   110.54840   -58.64513
   15    13 S   HC   HG12    15     1.09631   110.25059    60.18003
   16    13 S   C    _CD1    16     1.51806   111.66104   179.52978
   17    16 S   O    _OE1    17     1.22783   122.78535   -28.12575
   18    16 S   N    _N2_    18     1.38496   112.16871   153.60387
   19    18 S   H    _HN2    19     1.01554   119.12616     1.64841
   20    18 S   CT1  _CA2    20     1.46225   123.53629  -179.40917
   21    20 S   HC   _HA2    21     1.09591   109.27728    -5.05679
   22    20 S   C    _C2_    22     1.53428   108.45117  -120.33987
   23    22 S   O    _O2_    23     1.23039   122.44593  -147.49884
   24    20 S   CT   _CB2    32     1.53360   111.26093   117.35766
   25    24 S   HC   HB21    33     1.09655   109.62050    56.11004
   26    24 S   HC   HB22    34     1.09499   111.40905   173.70104
   27    22 S   N    _N3_    24     1.38399   113.54075    40.02293
   28    27 S   H    _HN3    25     1.01631   119.49498    -3.56431
   29    24 S   S    _SG2    35     1.83128   113.18242   -62.99490
   30    27 S   CT   _CA3    26     1.45281   123.04958   176.87350
   31    30 S   HC   HA31    27     1.09555   107.52055   -63.76589
   32    30 S   HC   HA32    28     1.09563   107.93844    52.61783
   33    29 S   CT   _C4_    36     1.84965   100.05905   -79.34156
   34    33 S   OM   _O33    37     1.31630   108.67909   -82.99127
   35    33 S   HC   _H3_    38     1.09392   106.38060    48.13609
   36    30 S   CO3  _C3_    29     1.52911   114.20454   174.61686
   37    36 S   O2Z  _O31    30     1.26352   116.08243    -0.61070
   38    36 S   O2Z  _O32    31     1.26432   114.40047   179.45356
   39    33 S   S    _S1_    39     1.85311   108.18700   160.31768
   40    39 S   CT   _C5_    40     1.83165    99.71268   -80.55350
   41    40 S   HC   _H4_    41     1.09380   108.18141    65.32090
   42    40 S   HC   _H5_    42     1.09515   107.95879   -51.79055
   43    40 S   CT1  _C6_    43     1.53478   113.27219  -172.61361
   44    43 S   HC   _H6_    44     1.09813   108.01549   174.76149
   45    43 S   C    _C7_    45     1.52890   112.51608   -66.70361
   46    45 S   O    _O34    46     1.22961   122.85254   102.77136
   47    43 S   N    _N5_    55     1.45732   112.87618    56.69337
   48    47 S   H    _H10    56     1.01632   117.49266   -95.26010
   49    45 S   N    _N4_    47     1.38500   112.54006   -76.58881
   50    49 S   H    _H7_    48     1.01593   120.05529     1.34319
   51    47 S   C    _C10    57     1.38484   122.94897    81.97002
   52    51 S   O    _O37    58     1.22759   124.83117     0.88004
   53    49 S   CT   _C8_    49     1.45405   122.81387   179.91607
   54    53 S   HC   _H8_    50     1.09533   107.06975   -79.72603
   55    53 S   HC   _H9_    51     1.09555   108.66838    36.89798
   56    51 S   CT   _C11    59     1.51915   111.79781  -179.68472
   57    56 S   HC   _H11    60     1.09586   107.99715    58.72681
   58    56 S   HC   _H12    61     1.09564   107.52806   -57.60246
   59    53 S   CO3  _C9_    52     1.52885   114.21298   159.49029
   60    59 S   O2Z  _O36    53     1.26424   116.15570     6.36556
   61    59 S   O2Z  _O35    54     1.26396   114.56932  -173.57215
   62    56 S   CT   _C12    62     1.53121   112.16582  -179.36234
   63    62 S   HC   _H13    63     1.09837   109.12193    57.44682
   64    62 S   HC   _H14    64     1.09787   108.92552   -57.35737
   65    62 S   CT   _C13    65     1.53235   114.45569  -179.98022
   66    65 S   HC   _H15    66     1.09704   108.23783  -178.26291
   67    65 S   CO3  _C14    67     1.54113   114.56216    63.52482
   68    67 S   O2Z  _O39    68     1.26166   115.72514    39.53510
   69    67 S   O2Z  _O38    69     1.26470   114.67665  -141.41014
   70    65 S   NP   _N6_    70     1.50054   108.95238   -65.33908
   71    70 S   H    _H16    71     1.02797   111.46243    68.48490
   72    70 S   H    _H17    72     1.02759   112.42804   -53.74774
   73    70 S   H    _H18    73     1.02927   109.74714  -174.01146
  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   5   5   4   3
   7   3   2   2   1   1   7  10   5   4  11   6  10   4   8   3
   7   4   8   4   5   4   3   9   5   4   2   1   1  11   5   4
   8   7   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47  
   41    42    43    44    45    46    49    47    48    51  
   42    43    44    45    47  
   43    44    45    47  
   44    45    46    49    50    53    47    48    51    52    56  
   45    46    49    47    48    51  
   46    49    50    53    54    55    59    47    48    51  
   49    50    53    47  
   48    51    52    56    57    58    62    49  
   51    52    56  
   50    53    54    55    59    60    61  
   53    54    55    59  
   52    56    57    58    62    63    64    65  
   56    57    58    62  
   54    55    59    60    61  
   55    59    60    61  
   59    60    61  
   57    58    62    63    64    65    66    67    70  
   58    62    63    64    65  
   62    63    64    65  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    71    72    73  
   64    65    66    67    70  
   65    66    67    70  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71    72    73  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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  -0.175000   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   4.2000   0.3000  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5000   0.0660   0.047500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   68   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   69   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   70   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   71   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   570.000  1.307
   33    35   340.000  1.090
   33    39   222.000  1.810
   39    40   222.000  1.810
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   317.000  1.522
   43    47   337.000  1.449
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   47    48   434.000  1.010
   47    51   490.000  1.335
   51    52   570.000  1.229
   51    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.522
   65    70   367.000  1.471
   67    68   656.000  1.250
   67    69   656.000  1.250
   70    71   434.000  1.010
   70    72   434.000  1.010
   70    73   434.000  1.010
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    85.00000  114.68000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  118.28000
   33    39    40    62.00000   98.90000
   35    33    34    45.00000  125.66300
   39    33    34    85.00000  114.68000
   39    33    35    35.00000  109.50000
   39    40    41    35.00000  109.50000
   39    40    42    35.00000  109.50000
   39    40    43    75.00000  108.68000
   40    43    44    37.50000  110.70000
   40    43    45    63.00000  111.10000
   40    43    47    80.00000  109.70000
   42    40    41    33.00000  107.80000
   43    40    41    37.50000  110.70000
   43    40    42    37.50000  110.70000
   43    45    46    80.00000  120.40000
   43    45    49    70.00000  116.60000
   43    47    48    38.00000  118.40000
   43    47    51    50.00000  121.90000
   45    43    44    35.00000  109.50000
   45    49    50    35.00000  119.80000
   45    49    53    50.00000  121.90000
   49    45    46    80.00000  122.90000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    59    63.00000  110.10000
   53    49    50    38.00000  118.40000
   53    59    60    70.00000  117.00000
   53    59    61    70.00000  117.00000
   55    53    54    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    55    35.00000  109.50000
   61    59    60    80.00000  126.00000
   47    43    44    35.00000  109.50000
   47    43    45    63.00000  110.10000
   47    51    52    80.00000  122.90000
   47    51    56    70.00000  116.60000
   51    47    48    35.00000  119.80000
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    62    63.00000  111.10000
   56    51    52    80.00000  120.40000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    70.00000  109.69300
   62    65    70    80.00000  111.20000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    70.00000  117.00000
   65    67    69    70.00000  117.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   67    65    66    35.00000  109.50000
   69    67    68    80.00000  126.00000
   70    65    66    35.00000  109.50000
   70    65    67    80.00000  109.26000
   72    70    71    35.00000  109.50000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    39    40   0.08500  1.0 1.0
   29    33    39    40  -0.53150 -1.0 2.0
   29    33    39    40   0.48050  1.0 3.0
   33    39    40    41   0.32350  1.0 3.0
   33    39    40    42   0.32350  1.0 3.0
   33    39    40    43   0.01700  1.0 1.0
   33    39    40    43  -0.23550 -1.0 2.0
   33    39    40    43   0.21350  1.0 3.0
   34    33    39    40   0.13850  1.0 1.0
   34    33    39    40  -1.34450 -1.0 2.0
   34    33    39    40   0.57400  1.0 3.0
   35    33    39    40   0.32350  1.0 3.0
   39    40    43    44   0.15000  1.0 3.0
   39    40    43    45  -2.17200  1.0 1.0
   39    40    43    45  -0.85700 -1.0 2.0
   39    40    43    47   0.71400  1.0 1.0
   39    40    43    47   0.04300 -1.0 2.0
   39    40    43    47   0.01450  1.0 3.0
   40    43    45    46   0.00000  1.0 1.0
   40    43    45    49   0.93250  1.0 1.0
   40    43    45    49   0.04450 -1.0 2.0
   40    43    45    49   0.17550  1.0 3.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    51   0.25950  1.0 1.0
   40    43    47    51   0.43850 -1.0 2.0
   40    43    47    51   2.61650  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45  -0.03800  1.0 3.0
   41    40    43    47   0.23200  1.0 3.0
   42    40    43    44   0.15000  1.0 3.0
   42    40    43    45  -0.03800  1.0 3.0
   42    40    43    47   0.23200  1.0 3.0
   43    45    49    50   2.45000 -1.0 2.0
   43    45    49    53   1.15000  1.0 1.0
   43    45    49    53   3.04450 -1.0 2.0
   43    47    51    52   3.04450 -1.0 2.0
   43    47    51    56   1.15000  1.0 1.0
   43    47    51    56   3.04450 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    51   0.00000  1.0 1.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    51  -0.29800  1.0 1.0
   45    43    47    51   0.13950 -1.0 2.0
   45    43    47    51  -2.45650  1.0 3.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    59  -0.29800  1.0 1.0
   45    49    53    59   0.13950 -1.0 2.0
   45    49    53    59  -2.45650  1.0 3.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    53   3.04450 -1.0 2.0
   49    53    59    60   0.00000  1.0 1.0
   49    53    59    61   0.00000  1.0 1.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   50    49    53    59   0.00000  1.0 1.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   55    53    59    60   0.00000  1.0 1.0
   55    53    59    61   0.00000  1.0 1.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.37150  1.0 1.0
   47    43    45    49   1.25400 -1.0 2.0
   47    43    45    49  -0.40250  1.0 3.0
   47    51    56    57   0.00000  1.0 1.0
   47    51    56    58   0.00000  1.0 1.0
   47    51    56    62   1.39750  1.0 1.0
   47    51    56    62  -0.07950 -1.0 2.0
   47    51    56    62  -0.18750  1.0 3.0
   48    47    51    52   2.45000 -1.0 2.0
   48    47    51    56   2.45000 -1.0 2.0
   51    56    62    63  -0.11250  1.0 3.0
   51    56    62    64  -0.11250  1.0 3.0
   51    56    62    65  -0.95700  1.0 1.0
   51    56    62    65  -0.18200 -1.0 2.0
   51    56    62    65   0.29450  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   52    51    56    62   0.30150 -1.0 2.0
   56    62    65    66   0.15000  1.0 3.0
   56    62    65    67  -1.63150  1.0 1.0
   56    62    65    67  -0.43550 -1.0 2.0
   56    62    65    67   0.24500  1.0 3.0
   56    62    65    70   1.36600  1.0 1.0
   56    62    65    70  -0.11450 -1.0 2.0
   56    62    65    70   0.24250  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    65   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    65   0.15000  1.0 3.0
   62    65    67    68   0.41150 -1.0 2.0
   62    65    67    69   0.41150 -1.0 2.0
   62    65    70    71   0.17350  1.0 3.0
   62    65    70    72   0.17350  1.0 3.0
   62    65    70    73   0.17350  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67  -0.11250  1.0 3.0
   63    62    65    70   0.19200  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67  -0.11250  1.0 3.0
   64    62    65    70   0.19200  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    70    71   0.13050  1.0 3.0
   66    65    70    72   0.13050  1.0 3.0
   66    65    70    73   0.13050  1.0 3.0
   67    65    70    71   0.17350  1.0 3.0
   67    65    70    72   0.17350  1.0 3.0
   67    65    70    73   0.17350  1.0 3.0
   70    65    67    68   0.30150 -1.0 2.0
   70    65    67    69   0.30150 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   43    49    45    46  10.50000 -1.0 2.0
   50    45    49    53   1.00000 -1.0 2.0
   60    53    59    61  10.50000 -1.0 2.0
   48    51    47    43   1.00000 -1.0 2.0
   47    56    51    52  10.50000 -1.0 2.0
   68    65    67    69  10.50000 -1.0 2.0
END
