* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    141    217     409
    1     0 S   NP   _N1_     1    29.70194    92.98346   -25.49181
    2     1 S   H    _HN1     2     1.02785   109.79161  -119.17691
    3     1 S   H    _H1_     3     1.02948    99.22490    -5.75388
    4     1 S   H    _H2_     4     1.02831     7.98689   163.33813
    5     1 S   CT   _CA1     5     1.50121   115.90721   112.41255
    6     5 S   HC   _HA1     6     1.09563   105.22768    65.90788
    7     5 S   CO3  _C1_     7     1.53818   112.39709   -54.45540
    8     7 S   O2Z  _O11     8     1.26386   114.99541   -42.37583
    9     7 S   O2Z  _O12     9     1.26226   114.95005   136.74488
   10     5 S   CT   _CB1    10     1.53054   107.42966  -175.97007
   11    10 S   HC   HB11    11     1.09835   109.55797   -48.22570
   12    10 S   HC   HB12    12     1.09804   110.33709    68.36384
   13    10 S   CT   _CG1    13     1.53026   112.65001  -169.12811
   14    13 S   HC   HG11    14     1.09576   110.66632   -62.77938
   15    13 S   HC   HG12    15     1.09646   109.86506    56.57774
   16    13 S   C    _CD1    16     1.51729   112.02215   177.22879
   17    16 S   O    _OE1    17     1.22758   123.15743     7.16864
   18    16 S   N    _N2_    18     1.38685   111.90723  -173.50979
   19    18 S   H    _HN2    19     1.01575   119.14655     3.41472
   20    18 S   CT1  _CA2    20     1.46056   123.10306  -178.95807
   21    20 S   HC   _HA2    21     1.09571   109.10406     4.86860
   22    20 S   C    _C2_    22     1.53553   109.65969  -110.25399
   23    22 S   O    _O2_    23     1.23094   121.98188  -152.14227
   24    20 S   CT   _CB2    32     1.53534   111.99960   126.80036
   25    24 S   HC   HB21    33     1.09681   109.30857    70.75249
   26    24 S   HC   HB22    34     1.09521   110.61086  -172.72975
   27    22 S   N    _N3_    24     1.38233   113.97036    35.32030
   28    27 S   H    _HN3    25     1.01573   119.60105    -3.49732
   29    24 S   S    _SG2    35     1.83098   115.60682   -48.37705
   30    27 S   CT   _CA3    26     1.45286   123.21459   176.98650
   31    30 S   HC   HA31    27     1.09550   107.53957   -63.76037
   32    30 S   HC   HA32    28     1.09557   107.95217    52.67305
   33    29 S   CT   _C20    36     1.84178   101.34683   -61.59318
   34    33 S   HC   _H3_    37     1.09307   108.92831    40.57785
   35    30 S   CO3  _C3_    29     1.52958   114.07912   174.64914
   36    35 S   O2Z  _O31    30     1.26378   116.05831    -0.60620
   37    35 S   O2Z  _O32    31     1.26426   114.41368   179.44928
   38    33 S   CM   _C11    38     1.51188   106.37164   158.27082
   39    38 S   HC   _H27    39     1.08815   116.91768    68.79600
   40    33 S   CT   _C19    56     1.53597   110.12405   -80.24998
   41    40 S   HC   _H40    57     1.09645   109.90597    50.87846
   42    40 S   HC   _H41    58     1.09716   109.91083   -68.74175
   43    38 S   CM   _C10    40     1.34317   122.96977  -110.09745
   44    43 S   HC   _H26    41     1.08743   119.68488     0.58950
   45    40 S   C    _C12    59     1.52646   113.27234   169.75272
   46    45 S   O    _O19    60     1.23311   120.78660    -4.06664
   47    43 S   CA   _C7_    42     1.46965   124.50525   178.35753
   48    45 S   N    _N18    61     1.39736   116.22499   176.66763
   49    47 S   CA   _C4_    43     1.41391   118.28997  -144.96955
   50    49 S   HA   _H23    44     1.08839   120.23304     1.60657
   51    48 S   CT   _C16    62     1.46835   125.73833     0.38866
   52    51 S   HC   _H34    63     1.09090   112.23402     3.30026
   53    51 S   HC   _H35    64     1.09649   107.13377  -114.14138
   54    49 S   CA   _C5_    45     1.39844   121.23273  -179.03409
   55    54 S   HA   _H24    46     1.08418   120.77612  -179.36419
   56    51 S   CT   _C14    65     1.52751   110.74841   125.45258
   57    56 S   HC   _H30    66     1.09722   109.31328   -67.19795
   58    56 S   HC   _H31    67     1.09551   109.88274   175.37183
   59    54 S   CA   _C8_    47     1.37749   117.67419     0.62807
   60    56 S   CT   _C13    68     1.52783   111.37028    53.41684
   61    60 S   HC   _H28    69     1.09560   109.86359  -175.08231
   62    60 S   HC   _H29    70     1.09688   109.48792    67.54755
   63    59 S   CA   _C9_    48     1.37476   121.64068     0.09891
   64    60 S   CT   _C15    71     1.52774   110.92974   -53.41332
   65    64 S   HC   _H32    72     1.09546   109.88947   175.40560
   66    64 S   HC   _H33    73     1.09716   109.12115   -67.24073
   67    47 S   CA   _C6_    49     1.40382   122.29308    37.31895
   68    67 S   HA   _H25    50     1.08505   121.84224    -0.68041
   69    63 S   OS   _O21    51     1.36133   112.31383   179.60683
   70    48 S   CT   _C17    74     1.46457   119.60433  -178.45288
   71    70 S   HC   _H36    75     1.09653   107.30819   114.20011
   72    70 S   HC   _H37    76     1.09439   111.12105    -2.82425
   73    69 S   CO   _C18    52     1.44221   100.96934     0.20748
   74    73 S   HC   _H38    53     1.09608   108.66337  -121.13097
   75    73 S   HC   _H39    54     1.09610   108.67150   120.72653
   76    59 S   OS   _O20    55     1.36048   125.95742   179.81762
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  10   4   8   4   3   8   3  10   3   9  13
   8   4  12   6   5   7   3   9   5   4   8   8   5   4   7   5
   4   3   4   1   4   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    49    67    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    51    70    43  
   42    45    46    48  
   45    46    48  
   44    47    49    50    54    63    67    68  
   47    49    67  
   46    48    51    52    53    56    64    70    71    72  
   48    51    70  
   49    50    54    55    59    63    67    68    69  
   51    52    53    56    57    58    60    64    65    66    70    71    72  
   50    54    55    59    63    67    68    76  
   54    55    59    67  
   52    53    56    57    58    60    61    62    64    70    71    72  
   53    56    57    58    60    70  
   56    57    58    60    70  
   55    59    63    67    69    73    76  
   59    63    76  
   57    58    60    61    62    64    65    66    70  
   58    60    61    62    64  
   60    61    62    64  
   63    67    68    69    73    74    75    76  
   61    62    64    65    66    70    71    72  
   62    64    65    66    70  
   64    65    66    70  
   67    68    69    73    74    75    76  
   65    66    70    71    72  
   66    70    71    72  
   70    71    72  
   68    69    73    76  
   69  
   73    74    75    76  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    67   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    63   469.000  1.400
   59    76   450.000  1.364
   63    67   469.000  1.400
   63    69   450.000  1.364
   67    68   367.000  1.080
   69    73   320.000  1.380
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   320.000  1.380
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   490.000  1.335
   48    51   337.000  1.449
   48    70   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    60.00000  123.20500
   43    38    39    35.00000  120.00000
   43    47    49    60.00000  120.93500
   43    47    67    60.00000  120.93500
   47    43    44    40.00000  117.26300
   47    49    50    35.00000  120.00000
   47    49    54    63.00000  120.00000
   47    67    63    63.00000  120.00000
   47    67    68    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    59    63    63.00000  120.00000
   54    59    76    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    67    63.00000  120.00000
   59    63    69    70.00000  120.00000
   59    76    73   100.00000  112.36700
   63    67    68    35.00000  120.00000
   63    69    73   100.00000  112.36700
   67    47    49    63.00000  120.00000
   69    63    67    70.00000  120.00000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    92.60000  111.55000
   75    73    74    33.00000  109.50000
   76    59    63    70.00000  120.00000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  116.60000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    51    50.00000  121.90000
   45    48    70    50.00000  121.90000
   48    45    46    80.00000  122.90000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    56    70.00000  110.72300
   48    70    64    70.00000  110.72300
   48    70    71    35.00000  109.50000
   48    70    72    35.00000  109.50000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    60    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   66    64    65    33.00000  107.80000
   70    48    51    50.00000  118.00000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   72    70    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   1.39750  1.0 1.0
   33    40    45    48  -0.07950 -1.0 2.0
   33    40    45    48  -0.18750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    49   0.15800  1.0 1.0
   38    43    47    49   1.85350 -1.0 2.0
   38    43    47    49  -0.48700  1.0 3.0
   38    43    47    67   0.15800  1.0 1.0
   38    43    47    67   1.85350 -1.0 2.0
   38    43    47    67  -0.48700  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    49    50   3.62500 -1.0 2.0
   43    47    49    54   3.62500 -1.0 2.0
   43    47    67    63   3.62500 -1.0 2.0
   43    47    67    68   3.62500 -1.0 2.0
   44    43    47    49   0.56550  1.0 3.0
   44    43    47    67   0.56550  1.0 3.0
   47    49    54    55   3.62500 -1.0 2.0
   47    49    54    59   3.62500 -1.0 2.0
   49    47    67    63   3.62500 -1.0 2.0
   49    47    67    68   3.62500 -1.0 2.0
   49    54   -59    63   3.62500 -1.0 2.0
   49    54    59    76   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    59   3.62500 -1.0 2.0
   54    59    63    67   3.62500 -1.0 2.0
   54    59    63    69   3.62500 -1.0 2.0
   54    59    76    73   1.63200 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   55    54    59    76   3.62500 -1.0 2.0
   59    63   -67    47   3.62500 -1.0 2.0
   59    63    67    68   3.62500 -1.0 2.0
   59    63   -69    73   1.63200 -1.0 2.0
   63    59   -76    73   1.63200 -1.0 2.0
   63    69    73    74   0.08050  1.0 3.0
   63    69    73    75   0.08050  1.0 3.0
   63    69   -73    76  -0.25600  1.0 1.0
   63    69   -73    76  -0.40050 -1.0 2.0
   63    69   -73    76   0.34700  1.0 3.0
   67    47    49    50   3.62500 -1.0 2.0
   67    47   -49    54   3.62500 -1.0 2.0
   67    63    69    73   1.63200 -1.0 2.0
   69    63    67    47   3.62500 -1.0 2.0
   69    63    67    68   3.62500 -1.0 2.0
   69    73   -76    59  -0.25600  1.0 1.0
   69    73   -76    59  -0.40050 -1.0 2.0
   69    73   -76    59   0.34700  1.0 3.0
   74    73    76    59   0.08050  1.0 3.0
   75    73    76    59   0.08050  1.0 3.0
   76    59    63    67   3.62500 -1.0 2.0
   76    59   -63    69   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    51   1.49850  1.0 1.0
   40    45    48    51   1.53950 -1.0 2.0
   40    45    48    70   1.49850  1.0 1.0
   40    45    48    70   1.53950 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    51    52   0.00000  1.0 1.0
   45    48    51    53   0.00000  1.0 1.0
   45    48    51    56  -0.43950  1.0 1.0
   45    48    51    56  -0.08100 -1.0 2.0
   45    48    51    56   0.03350  1.0 3.0
   45    48    70    64  -0.43950  1.0 1.0
   45    48    70    64  -0.08100 -1.0 2.0
   45    48    70    64   0.03350  1.0 3.0
   45    48    70    71   0.00000  1.0 1.0
   45    48    70    72   0.00000  1.0 1.0
   46    45    48    51   3.04450 -1.0 2.0
   46    45    48    70   3.04450 -1.0 2.0
   48    51    56    57   0.15000  1.0 3.0
   48    51    56    58   0.15000  1.0 3.0
   48    51    56    60   0.43900  1.0 1.0
   48    51    56    60   0.49100 -1.0 2.0
   48    51    56    60   0.28400  1.0 3.0
   51    48    70    64  -0.05900 -1.0 2.0
   51    48    70    71   0.00000  1.0 1.0
   51    48    70    72   0.00000  1.0 1.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    62   0.15000  1.0 3.0
   51    56   -60    64   0.56750  1.0 1.0
   51    56   -60    64  -0.07550 -1.0 2.0
   51    56   -60    64   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    60   0.15000  1.0 3.0
   56    60    64    65   0.15000  1.0 3.0
   56    60    64    66   0.15000  1.0 3.0
   56    60    64    70   0.56750  1.0 1.0
   56    60    64    70  -0.07550 -1.0 2.0
   56    60    64    70   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    64   0.15000  1.0 3.0
   60    64   -70    48   0.43900  1.0 1.0
   60    64   -70    48   0.49100 -1.0 2.0
   60    64   -70    48   0.28400  1.0 3.0
   60    64    70    71   0.15000  1.0 3.0
   60    64    70    72   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    70   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    70   0.15000  1.0 3.0
   65    64    70    48   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   66    64    70    48   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   70    48    51    52   0.00000  1.0 1.0
   70    48    51    53   0.00000  1.0 1.0
   70    48   -51    56  -0.05900 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   49    67    47    43   4.00000 -1.0 2.0
   54    50    49    47   1.10000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   63    76    59    54   4.00000 -1.0 2.0
   67    69    63    59   4.00000 -1.0 2.0
   63    68    67    47   1.10000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   70    45    48    51   1.00000 -1.0 2.0
END
