* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    140    226     420
    1     0 S   NP   _N1_     1    28.64061    96.68162   -22.52829
    2     1 S   H    _HN1     2     1.02949    71.74496     6.57987
    3     1 S   H    _H1_     3     1.02828    41.04742   154.76098
    4     1 S   H    _H2_     4     1.02789   100.12732   -99.57056
    5     1 S   CT   _CA1     5     1.50112   144.03303   106.40745
    6     5 S   HC   _HA1     6     1.09573   105.19149    90.88907
    7     5 S   CO3  _C1_     7     1.53788   112.48374   -29.35576
    8     7 S   O2Z  _O11     8     1.26373   115.00865   -42.26902
    9     7 S   O2Z  _O12     9     1.26242   114.94923   136.87381
   10     5 S   CT   _CB1    10     1.53077   107.42144  -151.11345
   11    10 S   HC   HB11    11     1.09834   109.37963   -49.55121
   12    10 S   HC   HB12    12     1.09812   110.44761    67.06283
   13    10 S   CT   _CG1    13     1.52992   112.60188  -170.51380
   14    13 S   HC   HG11    14     1.09579   110.65400   -65.79973
   15    13 S   HC   HG12    15     1.09670   109.76443    53.43440
   16    13 S   C    _CD1    16     1.51797   112.19707   173.90944
   17    16 S   O    _OE1    17     1.22732   123.27572     7.87838
   18    16 S   N    _N2_    18     1.38660   111.69282  -172.16118
   19    18 S   H    _HN2    19     1.01572   118.91655     1.91612
   20    18 S   CT1  _CA2    20     1.46194   123.39853   177.54832
   21    20 S   HC   _HA2    21     1.09737   109.36694     5.46995
   22    20 S   C    _C2_    22     1.53613   108.70355  -110.09256
   23    22 S   O    _O2_    23     1.23080   122.23788  -147.51946
   24    20 S   CT   _CB2    32     1.53470   111.61501   127.52515
   25    24 S   HC   HB21    33     1.09448   109.58147    56.36570
   26    24 S   HC   HB22    34     1.09378   109.61591   175.18802
   27    22 S   N    _N3_    24     1.38304   113.78752    39.87540
   28    27 S   H    _HN3    25     1.01568   119.63011    -3.09649
   29    24 S   S    _SG2    35     1.82958   111.29220   -64.60649
   30    27 S   CT   _CA3    26     1.45292   123.23806   177.23006
   31    30 S   HC   HA31    27     1.09548   107.49698   -65.05468
   32    30 S   HC   HA32    28     1.09556   108.00704    51.39548
   33    29 S   CT   _C5_    36     1.86963   101.66910  -176.50716
   34    30 S   CO3  _C3_    29     1.52968   114.06213   173.40474
   35    34 S   O2Z  _O31    30     1.26379   116.06892    -0.61006
   36    34 S   O2Z  _O32    31     1.26425   114.41773   179.45535
   37    33 S   CM   _C16    37     1.50927   106.01881   178.93247
   38    37 S   HC   _H22    38     1.09242   115.35508    58.58316
   39    33 S   CT   _C4_    68     1.53644   108.25648   -63.61140
   40    39 S   HC   _H6_    69     1.09502   112.00549    71.89569
   41    39 S   HC   _H7_    70     1.09725   111.83328   -49.36321
   42    39 S   HC   _H8_    71     1.09333   112.18799  -168.44942
   43    37 S   CMA  _C15    39     1.35637   126.91765  -120.54956
   44    43 S   OM   _O34    40     1.26559   123.30378   177.60298
   45    43 S   OS   _O33    41     1.40458   116.87727    -1.73866
   46    45 S   CT   _C7_    42     1.44086   118.98026   -26.52103
   47    46 S   CT   _C8_    43     1.56063   106.03476   170.06791
   48    47 S   HC   _H11    44     1.09756   110.79459    -2.04296
   49    47 S   HC   _H12    45     1.09771   111.06894  -119.72629
   50    33 S   CT   _C6_    65     1.53622   109.74338    59.73659
   51    50 S   HC   _H9_    66     1.09604   111.23728   -87.19637
   52    50 S   HC   _H10    67     1.10074   108.44652    28.84685
   53    47 S   CT   _C9_    46     1.53604   111.02807   119.62939
   54    53 S   HC   _H3_    47     1.09503   110.95964   174.79444
   55    53 S   CT   _C10    48     1.52945   109.97431   -60.50003
   56    55 S   HC   _H13    49     1.09679   109.86468   -63.60259
   57    55 S   HC   _H14    50     1.09557   111.09069   179.27503
   58    55 S   CT   _C11    51     1.52923   110.15009    57.08210
   59    58 S   HC   _H15    52     1.09714   109.55002   124.28280
   60    58 S   HC   _H16    53     1.09582   110.11217  -119.47382
   61    46 S   CT   _C12    54     1.56139   109.58053   -74.02236
   62    61 S   HC   _H4_    55     1.09266   111.61254    60.98249
   63    61 S   CT   _C13    56     1.53228   110.94098  -175.58368
   64    63 S   HC   _H17    57     1.09604   111.10004   173.33120
   65    63 S   HC   _H18    58     1.09366   113.20683   -64.24890
   66    53 S   NP   _N4_    59     1.52799   106.33664    57.79096
   67    66 S   H    _H5_    60     1.02933   105.78978    49.58181
   68    66 S   CT   _C14    61     1.50184   113.98460   164.34062
   69    68 S   HC   _H19    62     1.09228   109.17025    66.53079
   70    68 S   HC   _H20    63     1.09329   107.71013  -173.18143
   71    68 S   HC   _H21    64     1.09287   108.07972   -54.42458
  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
  15   2   1   1  12   5   8   3   2   1   6   2  12  18  17   7
   6   7   2   1  17   8  11   6   5   8   4   3   7   4   8   4
   3   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    46    50    51    52    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    47    61    50    51    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    50    51    52    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    46    50    51    52  
   41    42    50  
   42    50  
   50  
   44    45    46    47    61    50  
   45    46  
   46    47    48    49    53    58    61    62    63    50    51    52  
   47    48    49    53    54    55    58    59    60    61    62    63    64    65    66    50    51    52  
   48    49    53    54    55    56    57    58    61    62    63    66    67    68    50    51    52  
   49    53    54    55    61    66    50  
   53    54    55    61    66    50  
   51    52    53    58    61    62    63  
   52    61  
   61  
   54    55    56    57    58    59    60    61    63    64    65    66    67    68    69    70    71  
   55    56    57    58    63    66    67    68  
   56    57    58    59    60    61    62    63    66    67    68  
   57    58    59    60    61    66  
   58    59    60    61    66  
   59    60    61    62    63    64    65    66  
   60    61    62    63  
   61    62    63  
   62    63    64    65    66    67    68  
   63    64    65    66  
   64    65    66    67    68    69    70    71  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   67   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   440.000  1.360
   45    46   320.000  1.410
   46    47   268.000  1.529
   46    61   268.000  1.529
   46    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    66   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   367.000  1.471
   66    67   434.000  1.010
   66    68   367.000  1.471
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    80.00000  120.01400
   43    37    38    40.00000  120.50800
   43    45    46    90.00000  111.18400
   45    43    44    65.00000  121.00000
   45    46    47    50.00000  109.50000
   45    46    61    50.00000  109.50000
   45    46    50    50.00000  109.50000
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    53    58.35000  112.70000
   46    61    58    58.35000  112.70000
   46    61    62    37.50000  110.70000
   46    61    63    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    58.35000  112.70000
   47    53    66    80.00000  111.20000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    58.35000  112.70000
   53    66    63    75.00000  113.01200
   53    66    67    35.00000  109.50000
   53    66    68    75.00000  113.01200
   55    53    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    46    47    58.35000  112.70000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    80.00000  111.20000
   63    61    62    37.50000  110.70000
   63    66    67    35.00000  109.50000
   63    66    68    75.00000  113.01200
   65    63    64    33.00000  107.80000
   66    53    54    35.00000  109.50000
   66    53    55    80.00000  111.20000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   68    66    67    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    46    47    58.35000  112.70000
   50    46    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   37    33    50    46   0.34400  1.0 1.0
   37    33    50    46   0.09450 -1.0 2.0
   37    33    50    46   0.11100  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43   -45    46  -2.26850  1.0 1.0
   37    43   -45    46   3.39050 -1.0 2.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    45   7.00000 -1.0 2.0
   43    45    46    47  -0.46850  1.0 1.0
   43    45    46    47   0.09300 -1.0 2.0
   43    45    46    47  -0.12850  1.0 3.0
   43    45    46    61  -0.46850  1.0 1.0
   43    45    46    61   0.09300 -1.0 2.0
   43    45    46    61  -0.12850  1.0 3.0
   43    45    46    50  -0.46850  1.0 1.0
   43    45    46    50   0.09300 -1.0 2.0
   43    45    46    50  -0.12850  1.0 3.0
   44    43    45    46   2.00000 -1.0 2.0
   45    46    47    48   0.23400  1.0 3.0
   45    46    47    49   0.23400  1.0 3.0
   45    46    47    53   0.62750  1.0 1.0
   45    46    47    53  -0.30950 -1.0 2.0
   45    46    47    53   0.27300  1.0 3.0
   45    46    61    58   0.62750  1.0 1.0
   45    46    61    58  -0.30950 -1.0 2.0
   45    46    61    58   0.27300  1.0 3.0
   45    46    61    62   0.23400  1.0 3.0
   45    46    61    63   0.62750  1.0 1.0
   45    46    61    63  -0.30950 -1.0 2.0
   45    46    61    63   0.27300  1.0 3.0
   45    46   -50    33   0.62750  1.0 1.0
   45    46   -50    33  -0.30950 -1.0 2.0
   45    46   -50    33   0.27300  1.0 3.0
   45    46    50    51   0.23400  1.0 3.0
   45    46    50    52   0.23400  1.0 3.0
   46    47    53    54   0.15000  1.0 3.0
   46    47    53    55   0.56750  1.0 1.0
   46    47    53    55  -0.07550 -1.0 2.0
   46    47    53    55   0.20000  1.0 3.0
   46    47    53    66   1.36600  1.0 1.0
   46    47    53    66  -0.11450 -1.0 2.0
   46    47    53    66   0.24250  1.0 3.0
   46    61    63    64   0.15000  1.0 3.0
   46    61    63    65   0.15000  1.0 3.0
   46    61   -63    66   1.36600  1.0 1.0
   46    61   -63    66  -0.11450 -1.0 2.0
   46    61   -63    66   0.24250  1.0 3.0
   47    46    61    58   0.56750  1.0 1.0
   47    46    61    58  -0.07550 -1.0 2.0
   47    46    61    58   0.20000  1.0 3.0
   47    46    61    62   0.15000  1.0 3.0
   47    46    61    63   0.56750  1.0 1.0
   47    46    61    63  -0.07550 -1.0 2.0
   47    46    61    63   0.20000  1.0 3.0
   47    46    50    33   0.56750  1.0 1.0
   47    46    50    33  -0.07550 -1.0 2.0
   47    46    50    33   0.20000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    53    55    56   0.15000  1.0 3.0
   47    53    55    57   0.15000  1.0 3.0
   47    53   -55    58   0.56750  1.0 1.0
   47    53   -55    58  -0.07550 -1.0 2.0
   47    53   -55    58   0.20000  1.0 3.0
   47    53   -66    63   0.47100  1.0 1.0
   47    53    66    67   0.17350  1.0 3.0
   47    53    66    68   0.47100  1.0 1.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    66   0.19200  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    66   0.19200  1.0 3.0
   53    55    58    59   0.15000  1.0 3.0
   53    55    58    60   0.15000  1.0 3.0
   53    55    58    61   0.56750  1.0 1.0
   53    55    58    61  -0.07550 -1.0 2.0
   53    55    58    61   0.20000  1.0 3.0
   53    66    68    69   0.15000  1.0 3.0
   53    66    68    70   0.15000  1.0 3.0
   53    66    68    71   0.15000  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    58   0.15000  1.0 3.0
   54    53    66    63   0.15000  1.0 3.0
   54    53    66    67   0.13050  1.0 3.0
   54    53    66    68   0.15000  1.0 3.0
   55    53    66    63   0.47100  1.0 1.0
   55    53    66    67   0.17350  1.0 3.0
   55    53    66    68   0.47100  1.0 1.0
   55    58   -61    46   0.56750  1.0 1.0
   55    58   -61    46  -0.07550 -1.0 2.0
   55    58   -61    46   0.20000  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58   -61    63   0.56750  1.0 1.0
   55    58   -61    63  -0.07550 -1.0 2.0
   55    58   -61    63   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65   0.15000  1.0 3.0
   58    61    63    66   1.36600  1.0 1.0
   58    61    63    66  -0.11450 -1.0 2.0
   58    61    63    66   0.24250  1.0 3.0
   59    58    61    46   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   60    58    61    46   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   61    46    47    48   0.15000  1.0 3.0
   61    46    47    49   0.15000  1.0 3.0
   61    46   -47    53   0.56750  1.0 1.0
   61    46   -47    53  -0.07550 -1.0 2.0
   61    46   -47    53   0.20000  1.0 3.0
   61    46    50    33   0.56750  1.0 1.0
   61    46    50    33  -0.07550 -1.0 2.0
   61    46    50    33   0.20000  1.0 3.0
   61    46    50    51   0.15000  1.0 3.0
   61    46    50    52   0.15000  1.0 3.0
   61    63   -66    53   0.47100  1.0 1.0
   61    63    66    67   0.17350  1.0 3.0
   61    63    66    68   0.47100  1.0 1.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.19200  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.15000  1.0 3.0
   63    66    68    71   0.15000  1.0 3.0
   64    63    66    53   0.15000  1.0 3.0
   64    63    66    67   0.13050  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   65    63    66    53   0.15000  1.0 3.0
   65    63    66    67   0.13050  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   66    53    55    56   0.19200  1.0 3.0
   66    53    55    57   0.19200  1.0 3.0
   66    53   -55    58   1.36600  1.0 1.0
   66    53   -55    58  -0.11450 -1.0 2.0
   66    53   -55    58   0.24250  1.0 3.0
   67    66    68    69   0.13050  1.0 3.0
   67    66    68    70   0.13050  1.0 3.0
   67    66    68    71   0.13050  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    43   0.09850  1.0 1.0
   50    33   -37    43   0.15250 -1.0 2.0
   50    33   -37    43  -0.50650  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    42   0.15000  1.0 3.0
   50    46    47    48   0.15000  1.0 3.0
   50    46    47    49   0.15000  1.0 3.0
   50    46    47    53   0.56750  1.0 1.0
   50    46    47    53  -0.07550 -1.0 2.0
   50    46    47    53   0.20000  1.0 3.0
   50    46    61    58   0.56750  1.0 1.0
   50    46    61    58  -0.07550 -1.0 2.0
   50    46    61    58   0.20000  1.0 3.0
   50    46    61    62   0.15000  1.0 3.0
   50    46    61    63   0.56750  1.0 1.0
   50    46    61    63  -0.07550 -1.0 2.0
   50    46    61    63   0.20000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    50    46   0.56750  1.0 1.0
   39    33    50    46  -0.07550 -1.0 2.0
   39    33    50    46   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    52   0.15000  1.0 3.0
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
   33    38    37    43   1.10000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
END
