* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    132    200     396
    1     0 S   NP   _N1_     1    29.29744    91.16656   -22.24224
    2     1 S   H    _HN1     2     1.02952   107.27747    16.75706
    3     1 S   H    _H1_     3     1.02824    15.70832   108.96413
    4     1 S   H    _H2_     4     1.02795    93.37710   -93.25812
    5     1 S   CT   _CA1     5     1.50202   123.60256   147.35173
    6     5 S   HC   _HA1     6     1.09584   105.17062    50.62934
    7     5 S   CO3  _C1_     7     1.53836   112.68390   -69.36977
    8     7 S   O2Z  _O11     8     1.26345   115.23612   -43.03573
    9     7 S   O2Z  _O12     9     1.26247   114.88566   136.24248
   10     5 S   CT   _CB1    10     1.53035   107.20013   168.25541
   11    10 S   HC   HB11    11     1.09813   109.16507   -51.97347
   12    10 S   HC   HB12    12     1.09752   110.15662    64.27806
   13    10 S   CT   _CG1    13     1.53054   113.04806  -173.43753
   14    13 S   HC   HG11    14     1.09588   110.14341   -63.13665
   15    13 S   HC   HG12    15     1.09611   110.31532    56.10666
   16    13 S   C    _CD1    16     1.51825   111.98868   176.07834
   17    16 S   O    _OE1    17     1.22754   123.10447   -17.45908
   18    16 S   N    _N2_    18     1.38636   112.05176   163.54660
   19    18 S   H    _HN2    19     1.01567   119.23585     3.78248
   20    18 S   CT1  _CA2    20     1.46097   123.08838  -176.51165
   21    20 S   HC   _HA2    21     1.09584   109.21556    -0.12667
   22    20 S   C    _C2_    22     1.53411   109.23377  -115.51715
   23    22 S   O    _O2_    23     1.23056   122.02074  -146.51102
   24    20 S   CT   _CB2    32     1.53530   111.71531   121.67457
   25    24 S   HC   HB21    33     1.09662   109.51190    67.53188
   26    24 S   HC   HB22    34     1.09578   110.75835  -175.28998
   27    22 S   N    _N3_    24     1.38441   113.65499    41.01393
   28    27 S   H    _HN3    25     1.01488   119.03603    -0.28255
   29    24 S   S    _SG2    35     1.82903   114.93354   -51.88597
   30    27 S   CT   _CA3    26     1.45440   123.26751   174.99625
   31    30 S   HC   HA31    27     1.09537   109.00632    28.57012
   32    30 S   HC   HA32    28     1.09489   107.16451   145.55421
   33    29 S   CT   _C12    36     1.82881   100.25786   -67.31640
   34    33 S   HC   _H3_    37     1.09242   109.06406    51.76148
   35    33 S   HC   _H4_    38     1.09475   107.77674   -65.91015
   36    30 S   CO3  _C3_    29     1.52956   113.34639   -94.73255
   37    36 S   O2Z  _O31    30     1.26388   115.53268   -41.20507
   38    36 S   O2Z  _O32    31     1.26381   114.89517   139.75741
   39    33 S   CT   _C13    39     1.53796   110.58782   173.50840
   40    39 S   HC   _H33    40     1.09964   108.56638    48.54577
   41    39 S   CO4  _C4_    41     1.52368   110.25367   -69.23071
   42    41 S   O    _O33    42     1.22389   124.33673   -47.16772
   43    39 S   CT   _C14    66     1.54180   112.18069   167.02562
   44    43 S   HC   _H34    67     1.09716   109.29027   -56.60039
   45    41 S   OS1  _O20    43     1.36328   110.00838   132.32478
   46    43 S   CT   _C11    68     1.52958   115.27507    66.35451
   47    46 S   HC   _H29    69     1.09442   111.44429    74.07181
   48    46 S   HC   _H30    70     1.09289   111.86044   -49.20868
   49    43 S   OH   _O19    73     1.43228   109.01499  -172.10678
   50    49 S   HO   _H40    74     0.97245   107.69543    60.17250
   51    45 S   CO1  _C9_    44     1.44362   115.86937  -176.50688
   52    51 S   HC   _H26    45     1.09832   107.96392    51.33280
   53    46 S   OH   _O18    71     1.42662   108.84623  -167.78647
   54    53 S   HO   _H39    72     0.97244   106.95665  -177.85415
   55    51 S   CT   _C7_    46     1.53211   107.31155   170.20600
   56    55 S   HC   _H24    47     1.09677   109.91262    52.45993
   57    55 S   CT   _C5_    48     1.53074   111.37641   174.50570
   58    57 S   HC   _H22    49     1.09611   110.22000    75.09887
   59    55 S   OH5  _O16    64     1.42959   109.79860   -64.12176
   60    59 S   HO   _H37    65     0.97299   108.07580   -63.41110
   61    57 S   CT   _C6_    50     1.53238   111.62956   -47.77993
   62    61 S   HC   _H23    51     1.09694   109.17155   -72.67740
   63    57 S   OH5  _O14    62     1.43017   109.55799  -169.26910
   64    63 S   HO   _H35    63     0.97230   108.13408    60.99956
   65    61 S   CT   _C8_    52     1.53164   110.84703    48.73599
   66    65 S   HC   _H25    53     1.09592   110.86482    64.24097
   67    61 S   OH5  _O15    60     1.42661   109.52488   170.41741
   68    67 S   HO   _H36    61     0.97321   107.97164   -56.05496
   69    51 S   OS1  _O13    54     1.42831   110.84010   -69.63472
   70    65 S   CT   _C10    55     1.52910   111.86203  -175.28295
   71    70 S   HC   _H27    56     1.09498   111.05971    72.53898
   72    70 S   HC   _H28    57     1.09381   111.71140   -50.09836
   73    70 S   OH5  _O17    58     1.42618   108.84367  -168.73313
   74    73 S   HO   _H38    59     0.97259   106.91382  -175.10095
  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   7   5   4   3
  11   5   4   2   1   1  13   7  10   3   9   6   8   6   4   3
   2   1  13   6   1   1  12   7  13   7   4   1  12   7   3   1
   9   6   3   1   4   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    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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    43    44    46    49  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    51    43    44    46    47    48    53    49    50  
   41    42    45    43    44    46    49  
   42    45    51    52    55    69    43    44    46    49  
   45    51    43  
   44    46    47    48    53    54    49    50    45  
   46    47    48    53    49    50  
   51    52    55    56    57    65    69    59  
   47    48    53    54    49    50  
   48    53    54    49  
   53    54    49  
   50    53  
    0  
   52    55    56    57    58    61    65    66    69    70    63    59    60  
   55    56    57    65    69    59  
   54  
    0  
   56    57    58    61    62    65    69    67    63    64    59    60  
   57    58    61    69    63    59    60  
   58    61    62    65    66    69    70    67    68    63    64    59    60  
   61    62    65    67    63    64    59  
   60    61    63    69  
    0  
   62    65    66    69    70    71    72    73    67    68    63    64  
   65    66    69    70    67    68    63  
   64    65    67  
    0  
   66    69    70    71    72    73    74    67    68  
   69    70    71    72    73    67  
   68    69    70  
    0  
   70    71    72    73  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.280000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    51   370.000  1.399
   51    52   360.000  1.097
   51    55   255.000  1.525
   51    69   370.000  1.399
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   355.000  1.421
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   355.000  1.421
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   355.000  1.421
   65    66   340.000  1.090
   65    69   335.000  1.422
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   355.000  1.421
   73    74   580.000  0.967
   67    68   580.000  0.967
   63    64   580.000  0.967
   59    60   580.000  0.967
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   320.000  1.410
   53    54   553.000  0.945
   49    50   553.000  0.945
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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   39    43    49    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    45    51    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    51    52    60.00000  105.75400
   45    51    55    90.00000  109.70700
   45    51    69   110.00000  113.16000
   51    55    56    45.00000  109.54000
   51    55    57    70.00000  111.10000
   51    55    59    90.00000  109.42000
   51    69    65    90.00000  112.10700
   55    51    52    45.00000  111.65000
   55    57    58    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    57    63    90.00000  111.45300
   55    59    60    65.00000  108.53500
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    65    58.35000  112.70000
   57    61    67    90.00000  111.45300
   57    63    64    65.00000  108.53500
   61    57    58    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    69    95.00000  107.88500
   61    65    70    58.35000  112.70000
   61    67    68    65.00000  108.53500
   65    61    62    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    90.00000  111.45300
   69    51    52    60.00000  105.75400
   69    51    55    90.00000  109.70700
   69    65    66    55.00000  108.98800
   70    65    66    37.50000  110.70000
   70    65    69    95.00000  107.88500
   70    73    74    65.00000  108.53500
   72    70    71    33.00000  107.80000
   73    70    71    60.00000  109.39000
   73    70    72    60.00000  109.39000
   67    61    62    60.00000  109.39000
   67    61    65    90.00000  111.45300
   63    57    58    60.00000  109.39000
   63    57    61    90.00000  111.45300
   59    55    56    60.00000  109.39000
   59    55    57    90.00000  111.45300
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    53    54    55.00000  108.50000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   49    43    44    35.00000  109.50000
   49    43    46    50.00000  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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
   33    39    43    46   0.20000  1.0 3.0
   33    39    43    49   0.86500  1.0 1.0
   33    39    43    49  -0.17500 -1.0 2.0
   33    39    43    49   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    45    51   1.63150  1.0 1.0
   39    41    45    51   2.92000 -1.0 2.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    48   0.15000  1.0 3.0
   39    43    46    53   0.86500  1.0 1.0
   39    43    46    53  -0.17500 -1.0 2.0
   39    43    46    53   0.20800  1.0 3.0
   39    43    49    50  -0.11600  1.0 1.0
   39    43    49    50  -0.09450 -1.0 2.0
   39    43    49    50   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   40    39    43    49   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    46  -0.95700  1.0 1.0
   41    39    43    46  -0.18200 -1.0 2.0
   41    39    43    46   0.29450  1.0 3.0
   41    39    43    49  -0.09450  1.0 1.0
   41    39    43    49  -1.12950 -1.0 2.0
   41    39    43    49   0.54000  1.0 3.0
   41    45    51    52   0.08050  1.0 3.0
   41    45    51    55  -0.25900  1.0 1.0
   41    45    51    55  -0.47000 -1.0 2.0
   41    45    51    55   0.11750  1.0 3.0
   41    45    51    69  -0.24150  1.0 1.0
   41    45    51    69  -0.46200 -1.0 2.0
   41    45    51    69   0.11700  1.0 3.0
   42    41    45    51   3.00000 -1.0 2.0
   45    51    55    56   0.23400  1.0 3.0
   45    51    55    57   0.62750  1.0 1.0
   45    51    55    57  -0.30950 -1.0 2.0
   45    51    55    57   0.27300  1.0 3.0
   45    51    55    59   1.51850  1.0 1.0
   45    51    69    65  -0.70400  1.0 1.0
   45    51    69    65  -0.90350 -1.0 2.0
   51    55    57    58   0.15000  1.0 3.0
   51    55    57    61   0.56750  1.0 1.0
   51    55    57    61  -0.07550 -1.0 2.0
   51    55    57    61   0.20000  1.0 3.0
   51    55    57    63  -0.47750  1.0 1.0
   51    55    59    60   0.29150  1.0 1.0
   51    55    59    60  -0.28350 -1.0 2.0
   51    55    59    60   0.43600  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    59   0.23400  1.0 3.0
   52    51    69    65   0.37050  1.0 3.0
   55    51    69    65   0.06250  1.0 1.0
   55    51    69    65  -0.01100 -1.0 2.0
   55    51    69    65   0.28050  1.0 3.0
   55    57    61    62   0.15000  1.0 3.0
   55    57   -61    65   0.56750  1.0 1.0
   55    57   -61    65  -0.07550 -1.0 2.0
   55    57   -61    65   0.20000  1.0 3.0
   55    57    61    67  -0.47750  1.0 1.0
   55    57    63    64   0.29150  1.0 1.0
   55    57    63    64  -0.28350 -1.0 2.0
   55    57    63    64   0.43600  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    57    63   0.23400  1.0 3.0
   56    55    59    60   0.19450  1.0 3.0
   57    55    59    60   0.29150  1.0 1.0
   57    55    59    60  -0.28350 -1.0 2.0
   57    55    59    60   0.43600  1.0 3.0
   57    61    65    66   0.15000  1.0 3.0
   57    61    65    69   0.62750  1.0 1.0
   57    61    65    69  -0.30950 -1.0 2.0
   57    61    65    69   0.27300  1.0 3.0
   57    61    65    70   0.56750  1.0 1.0
   57    61    65    70  -0.07550 -1.0 2.0
   57    61    65    70   0.20000  1.0 3.0
   57    61    67    68   0.29150  1.0 1.0
   57    61    67    68  -0.28350 -1.0 2.0
   57    61    67    68   0.43600  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    65   0.15000  1.0 3.0
   58    57    61    67   0.23400  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   61    57    63    64   0.29150  1.0 1.0
   61    57    63    64  -0.28350 -1.0 2.0
   61    57    63    64   0.43600  1.0 3.0
   61    65   -69    51   0.06250  1.0 1.0
   61    65   -69    51  -0.01100 -1.0 2.0
   61    65   -69    51   0.28050  1.0 3.0
   61    65    70    71   0.15000  1.0 3.0
   61    65    70    72   0.15000  1.0 3.0
   61    65    70    73  -0.47750  1.0 1.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.23400  1.0 3.0
   62    61    65    70   0.15000  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68   0.29150  1.0 1.0
   65    61    67    68  -0.28350 -1.0 2.0
   65    61    67    68   0.43600  1.0 3.0
   65    70    73    74   0.29150  1.0 1.0
   65    70    73    74  -0.28350 -1.0 2.0
   65    70    73    74   0.43600  1.0 3.0
   66    65    69    51   0.37050  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.23400  1.0 3.0
   69    51    55    56   0.23400  1.0 3.0
   69    51   -55    57   0.62750  1.0 1.0
   69    51   -55    57  -0.30950 -1.0 2.0
   69    51   -55    57   0.27300  1.0 3.0
   69    51    55    59   1.51850  1.0 1.0
   69    65    70    71   0.23400  1.0 3.0
   69    65    70    72   0.23400  1.0 3.0
   69    65    70    73   1.51850  1.0 1.0
   70    65    69    51   0.06250  1.0 1.0
   70    65    69    51  -0.01100 -1.0 2.0
   70    65    69    51   0.28050  1.0 3.0
   71    70    73    74   0.19450  1.0 3.0
   72    70    73    74   0.19450  1.0 3.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    69   1.51850  1.0 1.0
   67    61    65    70  -0.47750  1.0 1.0
   63    57    61    62   0.23400  1.0 3.0
   63    57    61    65  -0.47750  1.0 1.0
   63    57    61    67   3.77950  1.0 1.0
   59    55    57    58   0.23400  1.0 3.0
   59    55    57    61  -0.47750  1.0 1.0
   59    55    57    63   3.77950  1.0 1.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.36750  1.0 3.0
   43    46    53    54  -0.11600  1.0 1.0
   43    46    53    54  -0.09450 -1.0 2.0
   43    46    53    54   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    53   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   46    43    49    50  -0.11600  1.0 1.0
   46    43    49    50  -0.09450 -1.0 2.0
   46    43    49    50   0.21250  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   48    46    53    54   0.19450  1.0 3.0
   49    43    46    47   0.23400  1.0 3.0
   49    43    46    48   0.23400  1.0 3.0
   49    43    46    53   3.75450  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
END
