* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    138    211     400
    1     0 S   NP   _N1_     1    29.67018    98.09447   -19.24083
    2     1 S   H    _HN1     2     1.02841    61.97109   145.53677
    3     1 S   H    _H1_     3     1.02794    76.68672   -95.66044
    4     1 S   H    _H2_     4     1.02942    68.23066    20.48728
    5     1 S   CT   _CA1     5     1.50107   170.62327   104.95111
    6     5 S   HC   _HA1     6     1.09597   105.20232    97.61081
    7     5 S   CO3  _C1_     7     1.53807   111.94913   -22.26829
    8     7 S   O2Z  _O11     8     1.26327   115.16116   -57.45728
    9     7 S   O2Z  _O12     9     1.26234   114.83666   121.35032
   10     5 S   CT   _CB1    10     1.53084   107.34489  -144.95328
   11    10 S   HC   HB11    11     1.09834   109.32420   -52.15754
   12    10 S   HC   HB12    12     1.09806   110.56884    64.38329
   13    10 S   CT   _CG1    13     1.52966   112.50582  -173.15868
   14    13 S   HC   HG11    14     1.09517   110.45424   -64.20278
   15    13 S   HC   HG12    15     1.09655   109.94078    55.02510
   16    13 S   C    _CD1    16     1.51768   112.19773   175.55662
   17    16 S   O    _OE1    17     1.22738   123.26230     3.40352
   18    16 S   N    _N2_    18     1.38635   111.73270  -176.60598
   19    18 S   H    _HN2    19     1.01607   119.02460     1.53570
   20    18 S   CT1  _CA2    20     1.46233   123.27719   178.29418
   21    20 S   HC   _HA2    21     1.09724   109.41274     1.57359
   22    20 S   C    _C2_    22     1.53500   108.74469  -114.11165
   23    22 S   O    _O2_    23     1.23066   122.21232  -148.75361
   24    20 S   CT   _CB2    32     1.53328   111.42584   123.57577
   25    24 S   HC   HB21    33     1.09318   109.40166    59.03679
   26    24 S   HC   HB22    34     1.09505   110.22920   177.02560
   27    22 S   N    _N3_    24     1.38301   113.74803    38.66077
   28    27 S   H    _HN3    25     1.01593   119.57496    -3.43017
   29    24 S   S    _SG2    35     1.83265   111.24683   -63.92766
   30    27 S   CT   _CA3    26     1.45286   123.18986   177.14597
   31    30 S   HC   HA31    27     1.09549   107.51333   -64.52374
   32    30 S   HC   HA32    28     1.09558   107.97706    51.90840
   33    29 S   CT   _C15    36     1.89218   101.68737   147.20826
   34    30 S   CO3  _C3_    29     1.52952   114.09563   173.90864
   35    34 S   O2Z  _O31    30     1.26375   116.06182    -0.43566
   36    34 S   O2Z  _O32    31     1.26430   114.41269   179.62518
   37    33 S   CA   _C7_    37     1.52405   109.95662   -59.97429
   38    33 S   CT   _C14    50     1.53253   107.19277    66.22923
   39    38 S   HC   _H4_    51     1.09542   113.08076   -29.28825
   40    37 S   CA   _C6_    38     1.41101   119.41970   -57.81792
   41    40 S   HA   _H9_    39     1.08934   119.36847    -1.73280
   42    38 S   OS   _O35    52     1.43456   106.52382    88.11563
   43    40 S   CA   _C5_    40     1.40020   121.98851   178.12915
   44    42 S   CO4  _C17    53     1.36223   110.92163    14.56817
   45    44 S   O    _O34    54     1.22205   124.06732   179.71333
   46    43 S   CA   _C10    41     1.40019   119.12110    -0.65492
   47    33 S   CT   _C16    55     1.54939   106.50986   175.57061
   48    47 S   HC   _H5_    56     1.09705   111.49580    27.38306
   49    43 S   CT   _C4_    70     1.50334   119.71956  -179.75934
   50    49 S   HC   _H6_    71     1.09457   110.03077   115.51942
   51    49 S   HC   _H7_    72     1.09481   110.35744  -123.63478
   52    49 S   HC   _H8_    73     1.09502   111.63275    -4.24362
   53    46 S   CA   _C9_    42     1.40057   119.39789     1.14278
   54    53 S   HA   _H10    43     1.08452   119.38112  -179.05167
   55    47 S   CT   _C18    57     1.52951   117.63268   152.72687
   56    55 S   HC   _H16    58     1.09247   112.69853    53.27250
   57    55 S   HC   _H17    59     1.09354   111.60168   -68.91118
   58    55 S   HC   _H18    60     1.09641   110.31238   172.39909
   59    46 S   OS   _O33    65     1.37210   115.77329  -178.69899
   60    37 S   CA   _C8_    44     1.41177   121.75099   121.82632
   61    59 S   CT   _C11    66     1.42206   117.53584  -179.28154
   62    61 S   HC   _H11    67     1.09429   107.73073   179.31930
   63    61 S   HC   _H12    68     1.09496   111.17314    61.60664
   64    61 S   HC   _H13    69     1.09491   111.11380   -63.00816
   65    60 S   CT   _C12    45     1.52500   120.87245     0.11364
   66    65 S   HC   _H3_    46     1.09876   106.64923   -90.72508
   67    65 S   CT   _C13    47     1.53253   111.21485    27.18231
   68    67 S   HC   _H14    48     1.09574   111.03699    69.04190
   69    67 S   HC   _H15    49     1.09823   110.35067  -175.12127
   70    65 S   CT   _C19    61     1.53583   114.81750   150.17779
   71    70 S   HC   _H19    62     1.09575   111.41380   -53.89146
   72    70 S   HC   _H20    63     1.09584   110.85392  -174.20113
   73    70 S   HC   _H21    64     1.09456   111.70004    67.19063
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  21   2   1   1  19  15   7  12   4   9  10   8   3  13   7   4
   5   2   1   1   8   3   3   2   1   1   5   9   3   2   1   1
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    60    67    38    39    42    44    47    48    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    43    53    60    65    67    68    69    38    39    42    44    45    47    48    55    56    57    58  
   35    36  
   36  
    0  
   40    41    43    46    53    54    60    65    66    67    38    39    42    44    47    48    55    70    49  
   39    42    44    45    47    48    55    70    40    60    65    66    67    68    69  
   42    44    47    65    67    68    69  
   41    43    46    53    60    65    47    59    49    50    51    52  
   43    46    60    49  
   44    45    47    48    55    65    67    68    69  
   46    53    54    60    59    61    49    50    51    52  
   45    47    48    55    56    57    58    67  
   47    48    55  
   53    54    60    65    59    61    62    63    64    49    50    51    52  
   48    55    56    57    58    60    67  
   55    56    57    58  
   50    51    52    53    59  
   51    52  
   52  
    0  
   54    60    65    66    67    70    59    61  
   60    65    59  
   56    57    58  
   57    58  
   58  
    0  
   61    62    63    64    60  
   65    66    67    68    69    70    71    72    73  
   62    63    64  
   63    64  
   64  
    0  
   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  -0.335000   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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    47   268.000  1.529
   37    40   469.000  1.400
   37    60   469.000  1.400
   40    41   367.000  1.080
   40    43   469.000  1.400
   43    46   469.000  1.400
   43    49   317.000  1.510
   46    53   469.000  1.400
   46    59   450.000  1.364
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    65   317.000  1.510
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    38   268.000  1.529
   38    39   340.000  1.090
   38    42   320.000  1.410
   42    44   214.000  1.327
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    37    40    70.00000  120.00000
   33    37    60    70.00000  120.00000
   33    38    67    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    42    50.00000  109.50000
   33    47    44    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    55    58.35000  112.70000
   37    40    41    35.00000  120.00000
   37    40    43    63.00000  120.00000
   37    60    53    63.00000  120.00000
   37    60    65    70.00000  120.00000
   40    43    46    63.00000  120.00000
   40    43    49    70.00000  120.00000
   43    40    41    35.00000  120.00000
   43    46    53    63.00000  120.00000
   43    46    59    70.00000  120.00000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   46    53    54    35.00000  120.00000
   46    53    60    63.00000  120.00000
   46    59    61    75.00000  111.00000
   53    60    65    70.00000  120.00000
   60    37    40    63.00000  120.00000
   60    53    54    35.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    70.00000  112.17500
   60    65    70    70.00000  112.17500
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    38    58.35000  112.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   67    65    66    37.50000  110.70000
   67    38    39    37.50000  110.70000
   67    38    42    50.00000  109.50000
   69    67    68    33.00000  107.80000
   38    33    37    70.00000  112.17500
   38    67    68    37.50000  110.70000
   38    67    69    37.50000  110.70000
   38    42    44    83.00000  116.90000
   42    38    39    35.00000  109.50000
   42    44    45    83.00000  123.40000
   42    44    47    81.00000  111.40000
   44    47    48    35.00000  109.50000
   44    47    55    63.00000  111.10000
   47    33    37    70.00000  112.17500
   47    33    38    58.35000  112.70000
   47    44    45    80.00000  120.40000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    58    37.50000  110.70000
   55    47    48    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    46    53    70.00000  120.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   49    43    46    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    60  -0.16000  1.0 1.0
   29    33    37    60  -0.03200 -1.0 2.0
   29    33    37    60   0.04500  1.0 3.0
   29    33    38    67   0.44750  1.0 1.0
   29    33    38    67  -0.17800 -1.0 2.0
   29    33    38    67   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    55   0.44750  1.0 1.0
   29    33    47    55  -0.17800 -1.0 2.0
   29    33    47    55   0.20200  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    60    53   3.62500 -1.0 2.0
   33    37    60    65   3.62500 -1.0 2.0
   33    38   -42    44  -0.25900  1.0 1.0
   33    38   -42    44  -0.47000 -1.0 2.0
   33    38   -42    44   0.11750  1.0 3.0
   33    47    55    56   0.15000  1.0 3.0
   33    47    55    57   0.15000  1.0 3.0
   33    47    55    58   0.15000  1.0 3.0
   37    33    38    67  -0.03700  1.0 1.0
   37    33    38    67   0.37200 -1.0 2.0
   37    33    38    67  -0.47300  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    42  -0.64350  1.0 1.0
   37    33    38    42  -0.04200 -1.0 2.0
   37    33    38    42   0.19800  1.0 3.0
   37    33    47    44   0.56750  1.0 1.0
   37    33    47    44  -0.07550 -1.0 2.0
   37    33    47    44   0.20000  1.0 3.0
   37    33    47    48   0.43200  1.0 3.0
   37    33    47    55  -0.03700  1.0 1.0
   37    33    47    55   0.37200 -1.0 2.0
   37    33    47    55  -0.47300  1.0 3.0
   37    40    43    46   3.62500 -1.0 2.0
   37    40    43    49   3.62500 -1.0 2.0
   37    60    65    66   0.00000  1.0 1.0
   37    60   -65    67   0.04150 -1.0 2.0
   37    60    65    70   0.04150 -1.0 2.0
   40    37    60    53   3.62500 -1.0 2.0
   40    37    60    65   3.62500 -1.0 2.0
   40    43   -46    53   3.62500 -1.0 2.0
   40    43    46    59   3.62500 -1.0 2.0
   40    43    49    50   0.00000  1.0 1.0
   40    43    49    51   0.00000  1.0 1.0
   40    43    49    52   0.00000  1.0 1.0
   41    40    43    46   3.62500 -1.0 2.0
   41    40    43    49   3.62500 -1.0 2.0
   43    46    53    54   3.62500 -1.0 2.0
   43    46    53    60   3.62500 -1.0 2.0
   43    46    59    61   1.63200 -1.0 2.0
   46    43    49    50   0.00000  1.0 1.0
   46    43    49    51   0.00000  1.0 1.0
   46    43    49    52   0.00000  1.0 1.0
   46    53   -60    37   3.62500 -1.0 2.0
   46    53    60    65   3.62500 -1.0 2.0
   46    59    61    62   0.08050  1.0 3.0
   46    59    61    63   0.08050  1.0 3.0
   46    59    61    64   0.08050  1.0 3.0
   53    46    59    61   1.63200 -1.0 2.0
   53    60    65    66   0.00000  1.0 1.0
   53    60    65    67   0.04150 -1.0 2.0
   53    60    65    70   0.04150 -1.0 2.0
   54    53    60    37   3.62500 -1.0 2.0
   54    53    60    65   3.62500 -1.0 2.0
   60    37    40    41   3.62500 -1.0 2.0
   60    37   -40    43   3.62500 -1.0 2.0
   60    65    67    68   0.43200  1.0 3.0
   60    65    67    69   0.43200  1.0 3.0
   60    65    67    38  -0.03700  1.0 1.0
   60    65    67    38   0.37200 -1.0 2.0
   60    65    67    38  -0.47300  1.0 3.0
   60    65    70    71   0.43200  1.0 3.0
   60    65    70    72   0.43200  1.0 3.0
   60    65    70    73   0.43200  1.0 3.0
   65    67   -38    33   0.56750  1.0 1.0
   65    67   -38    33  -0.07550 -1.0 2.0
   65    67   -38    33   0.20000  1.0 3.0
   65    67    38    39   0.15000  1.0 3.0
   65    67    38    42   0.62750  1.0 1.0
   65    67    38    42  -0.30950 -1.0 2.0
   65    67    38    42   0.27300  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    38   0.15000  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   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  1.0 3.0
   67    38    42    44  -0.25900  1.0 1.0
   67    38    42    44  -0.47000 -1.0 2.0
   67    38    42    44   0.11750  1.0 3.0
   68    67    38    33   0.15000  1.0 3.0
   68    67    38    39   0.15000  1.0 3.0
   68    67    38    42   0.23400  1.0 3.0
   69    67    38    33   0.15000  1.0 3.0
   69    67    38    39   0.15000  1.0 3.0
   69    67    38    42   0.23400  1.0 3.0
   38    33    37    40   0.04150 -1.0 2.0
   38    33   -37    60   0.04150 -1.0 2.0
   38    33   -47    44  -0.95700  1.0 1.0
   38    33   -47    44  -0.18200 -1.0 2.0
   38    33   -47    44   0.29450  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    55   0.56750  1.0 1.0
   38    33    47    55  -0.07550 -1.0 2.0
   38    33    47    55   0.20000  1.0 3.0
   38    42    44    45   3.00000 -1.0 2.0
   38    42   -44    47   1.63150  1.0 1.0
   38    42   -44    47   2.92000 -1.0 2.0
   39    38    42    44   0.08050  1.0 3.0
   42    44   -47    33   0.36750  1.0 3.0
   42    44    47    48   0.00000  1.0 1.0
   42    44    47    55   0.36750  1.0 3.0
   44    47    55    56  -0.11250  1.0 3.0
   44    47    55    57  -0.11250  1.0 3.0
   44    47    55    58  -0.11250  1.0 3.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    55   0.30150 -1.0 2.0
   47    33    37    40   0.04150 -1.0 2.0
   47    33    37    60   0.04150 -1.0 2.0
   47    33    38    67   0.56750  1.0 1.0
   47    33    38    67  -0.07550 -1.0 2.0
   47    33    38    67   0.20000  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    42   0.62750  1.0 1.0
   47    33   -38    42  -0.30950 -1.0 2.0
   47    33   -38    42   0.27300  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    58   0.15000  1.0 3.0
   70    65    67    68   0.15000  1.0 3.0
   70    65    67    69   0.15000  1.0 3.0
   70    65    67    38   0.56750  1.0 1.0
   70    65    67    38  -0.07550 -1.0 2.0
   70    65    67    38   0.20000  1.0 3.0
   59    46    53    54   3.62500 -1.0 2.0
   59    46    53    60   3.62500 -1.0 2.0
   49    43    46    53   3.62500 -1.0 2.0
   49    43    46    59   3.62500 -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
   35    30    34    36  10.50000 -1.0 2.0
   40    60    37    33   4.00000 -1.0 2.0
   43    41    40    37   1.10000 -1.0 2.0
   46    49    43    40   4.00000 -1.0 2.0
   53    59    46    43   4.00000 -1.0 2.0
   60    54    53    46   1.10000 -1.0 2.0
   53    65    60    37   4.00000 -1.0 2.0
   42    47    44    45  10.50000 -1.0 2.0
END
