* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    137    210     396
    1     0 S   NP   _N1_     1    28.82369    96.05209   -24.76616
    2     1 S   H    _HN1     2     1.02949    72.66189    12.00426
    3     1 S   H    _H1_     3     1.02828    35.14491   179.96574
    4     1 S   H    _H2_     4     1.02789   112.80725   -91.10382
    5     1 S   CT   _CA1     5     1.50111   130.76559   114.32634
    6     5 S   HC   _HA1     6     1.09572   105.18899    93.36731
    7     5 S   CO3  _C1_     7     1.53782   112.46605   -26.87429
    8     7 S   O2Z  _O11     8     1.26372   115.01002   -42.62718
    9     7 S   O2Z  _O12     9     1.26238   114.94794   136.48916
   10     5 S   CT   _CB1    10     1.53075   107.41984  -148.64394
   11    10 S   HC   HB11    11     1.09835   109.36971   -49.55019
   12    10 S   HC   HB12    12     1.09812   110.45402    67.05741
   13    10 S   CT   _CG1    13     1.52999   112.61171  -170.50715
   14    13 S   HC   HG11    14     1.09579   110.67004   -66.03815
   15    13 S   HC   HG12    15     1.09671   109.75321    53.19870
   16    13 S   C    _CD1    16     1.51803   112.15717   173.67501
   17    16 S   O    _OE1    17     1.22739   123.25249     8.72895
   18    16 S   N    _N2_    18     1.38633   111.70544  -171.33771
   19    18 S   H    _HN2    19     1.01587   119.00386     1.56348
   20    18 S   CT1  _CA2    20     1.46248   123.45224   177.47214
   21    20 S   HC   _HA2    21     1.09737   109.29852     5.83392
   22    20 S   C    _C2_    22     1.53649   109.02539  -109.70223
   23    22 S   O    _O2_    23     1.23079   122.20772  -150.79817
   24    20 S   CT   _CB2    32     1.53399   111.34139   127.80032
   25    24 S   HC   HB21    33     1.09450   109.55330    56.34254
   26    24 S   HC   HB22    34     1.09461   110.02816   175.18505
   27    22 S   N    _N3_    24     1.38307   113.88801    36.78788
   28    27 S   H    _HN3    25     1.01552   119.57897    -3.51318
   29    24 S   S    _SG2    35     1.83119   111.08546   -65.59235
   30    27 S   CT   _CA3    26     1.45279   123.26879   177.11385
   31    30 S   HC   HA31    27     1.09548   107.52391   -64.47026
   32    30 S   HC   HA32    28     1.09555   107.98404    51.98461
   33    29 S   CT   _C13    36     1.88412   101.54760   162.52783
   34    30 S   CO3  _C3_    29     1.52969   114.04325   173.97094
   35    34 S   O2Z  _O31    30     1.26382   116.06650    -0.53229
   36    34 S   O2Z  _O32    31     1.26425   114.41879   179.52812
   37    33 S   CM   _C12    37     1.52887   104.40197   177.91437
   38    37 S   HC   _H11    38     1.09158   115.56198    59.51297
   39    33 S   CM   _C15    65     1.52673   107.06668   -67.77244
   40    39 S   HC   _H15    66     1.09311   114.39811   -50.69316
   41    33 S   CT   _C14    70     1.54020   107.79101    57.64835
   42    41 S   HC   _H12    71     1.09522   112.61188   -66.38027
   43    41 S   HC   _H13    72     1.09742   111.76491    54.33969
   44    41 S   HC   _H14    73     1.09675   111.48909   173.78946
   45    37 S   CM   _C11    39     1.34459   128.00173  -121.27573
   46    45 S   HC   _H10    40     1.08592   119.65997     0.66264
   47    39 S   CMA  _C16    67     1.34893   130.58132   130.21092
   48    47 S   OM   _O35    68     1.25765   134.44770     0.01978
   49    47 S   HC   _H16    69     1.09319   110.73864   179.69290
   50    45 S   C3T  _C10    41     1.48546   125.53071  -179.57849
   51    50 S   CT   _C9_    42     1.54306   117.06106    98.86162
   52    50 S   O3T  _O34    52     1.44359   120.86060   -45.07455
   53    51 S   CT   _C8_    43     1.54419   111.15093   176.07355
   54    53 S   HC   _H8_    44     1.09692   110.71819  -174.16911
   55    53 S   HC   _H9_    45     1.09689   111.80862    66.70380
   56    51 S   CT   _C17    57     1.54475   110.41489    55.05360
   57    56 S   HC   _H17    58     1.09581   111.60292   -65.29084
   58    56 S   HC   _H18    59     1.09589   111.20176   175.10631
   59    56 S   HC   _H19    60     1.09565   111.50856    54.51305
   60    51 S   CT   _C18    61     1.54274   110.14361   -64.91513
   61    60 S   HC   _H20    62     1.09534   111.77972    63.91125
   62    60 S   HC   _H21    63     1.09596   111.09703   -56.05309
   63    60 S   HC   _H22    64     1.09598   111.15981  -176.22649
   64    53 S   CO4  _C7_    46     1.50832   111.08972   -53.38802
   65    64 S   O    _O33    47     1.23165   121.13125  -128.58717
   66    64 S   CT   _C6_    48     1.50695   117.68334    56.18120
   67    66 S   HC   _H6_    49     1.09585   107.70600    95.14668
   68    66 S   HC   _H7_    50     1.09641   107.07291  -148.73463
   69    50 S   C3T  _C5_    51     1.54044   116.69645  -111.28650
   70    69 S   CT   _C4_    53     1.50352   121.77167    13.09076
   71    70 S   HC   _H3_    54     1.09483   112.62047    33.37771
   72    70 S   HC   _H4_    55     1.09464   110.02686   -87.46219
   73    70 S   HC   _H5_    56     1.09527   110.44294   153.19121
  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  11   5   4   3
  14   2   1   1  14   5   9   4   5   2   1   1  10   4   2   1
   1  22  17  12  16   6   5   9   3   2   1   5   2   1   1   6
   4   7   3   2   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    69    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    53    66    69    52    70    56    60  
   50    51    69    52  
   48    49  
   49  
    0  
   51    53    54    55    64    66    67    68    69    52    70    71    72    73    56    57    58    59    60    61    62    63  
   53    54    55    64    65    66    69    52    70    56    57    58    59    60    61    62    63  
   70    71    72    73    56    60    53    64    66    67    68    69  
   54    55    64    65    66    67    68    69    56    57    58    59    60    61    62    63  
   55    64    65    66    56    60  
   64    65    66    56    60  
   57    58    59    60    61    62    63    64    69  
   58    59    60  
   59    60  
   60  
   61    62    63    64    69  
   62    63  
   63  
    0  
   65    66    67    68    69    70  
   66    67    68    69  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70    71    72    73  
   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   0.167500   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   305.000  1.480
   50    51   275.000  1.510
   50    69   260.000  1.509
   50    52   335.000  1.432
   51    53   268.000  1.529
   51    56   268.000  1.529
   51    60   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    64   317.000  1.522
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   275.000  1.510
   69    52   335.000  1.432
   69    70   275.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   335.000  1.111
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    55.00000  125.06700
   45    37    38    35.00000  120.00000
   45    50    51    65.00000  117.55000
   45    50    69    60.00000  120.58800
   45    50    52    85.00000  114.23300
   50    45    46    40.00000  117.24000
   50    51    53    70.00000  112.37300
   50    51    56    70.00000  112.37300
   50    51    60    70.00000  112.37300
   50    69    66    60.00000  120.94000
   50    69    52    15.00000   60.43100
   50    69    70    60.00000  120.94000
   50    52    69    15.00000   59.14900
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    64    63.00000  111.10000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   53    64    65    80.00000  120.40000
   53    64    66    70.00000  116.00000
   55    53    54    33.00000  107.80000
   64    53    54    35.00000  109.50000
   64    53    55    35.00000  109.50000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    63.00000  111.10000
   66    64    65    80.00000  120.40000
   66    69    52    80.00000  116.47100
   66    69    70    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    50    51    60.00000  120.94000
   69    66    67    45.00000  109.38400
   69    66    68    45.00000  109.38400
   69    70    71    45.00000  109.38400
   69    70    72    45.00000  109.38400
   69    70    73    45.00000  109.38400
   52    50    51    80.00000  116.47100
   52    50    69    15.00000   60.43100
   70    69    52    80.00000  116.47100
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    51    53    58.35000  112.70000
   60    51    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    45.00000  105.30000
   47    39    40    40.00000  120.50800
   49    47    48    50.00000  124.16400
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51   0.09850  1.0 1.0
   37    45    50    51   0.15250 -1.0 2.0
   37    45    50    51  -0.50650  1.0 3.0
   37    45    50    69   0.09850  1.0 1.0
   37    45    50    69   0.15250 -1.0 2.0
   37    45    50    69  -0.50650  1.0 3.0
   37    45    50    52   0.39000  1.0 1.0
   37    45    50    52  -0.05800 -1.0 2.0
   37    45    50    52  -0.55150  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    51    53   0.34400  1.0 1.0
   45    50    51    53   0.09450 -1.0 2.0
   45    50    51    53   0.11100  1.0 3.0
   45    50    51    56   0.34400  1.0 1.0
   45    50    51    56   0.09450 -1.0 2.0
   45    50    51    56   0.11100  1.0 3.0
   45    50    51    60   0.34400  1.0 1.0
   45    50    51    60   0.09450 -1.0 2.0
   45    50    51    60   0.11100  1.0 3.0
   45    50    69    66   0.34400  1.0 1.0
   45    50    69    66   0.09450 -1.0 2.0
   45    50    69    66   0.11100  1.0 3.0
   45    50   -69    52   0.61850  1.0 1.0
   45    50   -69    52  -0.22750 -1.0 2.0
   45    50   -69    52   0.15300  1.0 3.0
   45    50    69    70   0.34400  1.0 1.0
   45    50    69    70   0.09450 -1.0 2.0
   45    50    69    70   0.11100  1.0 3.0
   45    50   -52    69  -0.77900  1.0 1.0
   45    50   -52    69  -0.36900 -1.0 2.0
   45    50   -52    69   0.40400  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    69   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   50    51    53    54   0.15000  1.0 3.0
   50    51    53    55   0.15000  1.0 3.0
   50    51    53    64  -0.95700  1.0 1.0
   50    51    53    64  -0.18200 -1.0 2.0
   50    51    53    64   0.29450  1.0 3.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    59   0.15000  1.0 3.0
   50    51    60    61   0.15000  1.0 3.0
   50    51    60    62   0.15000  1.0 3.0
   50    51    60    63   0.15000  1.0 3.0
   50    69    70    71   0.15000  1.0 3.0
   50    69    70    72   0.15000  1.0 3.0
   50    69    70    73   0.15000  1.0 3.0
   51    50    69    66   0.56750  1.0 1.0
   51    50    69    66  -0.07550 -1.0 2.0
   51    50    69    66   0.20000  1.0 3.0
   51    50   -69    52   0.02550  1.0 1.0
   51    50   -69    52  -0.02600 -1.0 2.0
   51    50   -69    52   1.20400  1.0 3.0
   51    50    69    70   0.56750  1.0 1.0
   51    50    69    70  -0.07550 -1.0 2.0
   51    50    69    70   0.20000  1.0 3.0
   51    50   -52    69   0.06250  1.0 1.0
   51    50   -52    69  -0.01100 -1.0 2.0
   51    50   -52    69   0.28050  1.0 3.0
   51    53    64    65   0.30150 -1.0 2.0
   51    53   -64    66   0.60050  1.0 1.0
   51    53   -64    66   0.05600 -1.0 2.0
   51    53   -64    66   0.26150  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    59   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    63   0.15000  1.0 3.0
   53    64    66    67   0.00000  1.0 1.0
   53    64    66    68   0.00000  1.0 1.0
   53    64    66    69   0.60050  1.0 1.0
   53    64    66    69   0.05600 -1.0 2.0
   53    64    66    69   0.26150  1.0 3.0
   54    53    64    65   0.00000  1.0 1.0
   54    53    64    66   0.00000  1.0 1.0
   55    53    64    65   0.00000  1.0 1.0
   55    53    64    66   0.00000  1.0 1.0
   64    66   -69    50  -0.95700  1.0 1.0
   64    66   -69    50  -0.18200 -1.0 2.0
   64    66   -69    50   0.29450  1.0 3.0
   64    66    69    52  -0.09450  1.0 1.0
   64    66    69    52  -1.12950 -1.0 2.0
   64    66    69    52   0.54000  1.0 3.0
   64    66    69    70  -0.95700  1.0 1.0
   64    66    69    70  -0.18200 -1.0 2.0
   64    66    69    70   0.29450  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    69   0.30150 -1.0 2.0
   66    69   -52    50   0.06250  1.0 1.0
   66    69   -52    50  -0.01100 -1.0 2.0
   66    69   -52    50   0.28050  1.0 3.0
   66    69    70    71   0.15000  1.0 3.0
   66    69    70    72   0.15000  1.0 3.0
   66    69    70    73   0.15000  1.0 3.0
   67    66    69    50   0.15000  1.0 3.0
   67    66    69    52   0.23400  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   68    66    69    50   0.15000  1.0 3.0
   68    66    69    52   0.23400  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   69    50   -51    53   0.07850  1.0 1.0
   69    50   -51    53  -0.03950 -1.0 2.0
   69    50   -51    53   0.67350  1.0 3.0
   69    50    51    56   0.07850  1.0 1.0
   69    50    51    56  -0.03950 -1.0 2.0
   69    50    51    56   0.67350  1.0 3.0
   69    50    51    60   0.07850  1.0 1.0
   69    50    51    60  -0.03950 -1.0 2.0
   69    50    51    60   0.67350  1.0 3.0
   52    50    51    53   0.02550  1.0 1.0
   52    50    51    53  -0.02600 -1.0 2.0
   52    50    51    53   1.20400  1.0 3.0
   52    50    51    56   0.02550  1.0 1.0
   52    50    51    56  -0.02600 -1.0 2.0
   52    50    51    56   1.20400  1.0 3.0
   52    50    51    60   0.02550  1.0 1.0
   52    50    51    60  -0.02600 -1.0 2.0
   52    50    51    60   1.20400  1.0 3.0
   52    50   -69    66   0.02550  1.0 1.0
   52    50   -69    66  -0.02600 -1.0 2.0
   52    50   -69    66   1.20400  1.0 3.0
   52    50   -69    70   0.02550  1.0 1.0
   52    50   -69    70  -0.02600 -1.0 2.0
   52    50   -69    70   1.20400  1.0 3.0
   52    69    70    71   0.23400  1.0 3.0
   52    69    70    72   0.23400  1.0 3.0
   52    69    70    73   0.23400  1.0 3.0
   70    69   -52    50   0.06250  1.0 1.0
   70    69   -52    50  -0.01100 -1.0 2.0
   70    69   -52    50   0.28050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    64  -0.95700  1.0 1.0
   56    51    53    64  -0.18200 -1.0 2.0
   56    51    53    64   0.29450  1.0 3.0
   56    51    60    61   0.15000  1.0 3.0
   56    51    60    62   0.15000  1.0 3.0
   56    51    60    63   0.15000  1.0 3.0
   60    51    53    54   0.15000  1.0 3.0
   60    51    53    55   0.15000  1.0 3.0
   60    51    53    64  -0.95700  1.0 1.0
   60    51    53    64  -0.18200 -1.0 2.0
   60    51    53    64   0.29450  1.0 3.0
   60    51    56    57   0.15000  1.0 3.0
   60    51    56    58   0.15000  1.0 3.0
   60    51    56    59   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  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    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   53    66    64    65  10.50000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
