* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    223     418
    1     0 S   NP   _N1_     1    28.67768    94.64196   -21.35665
    2     1 S   H    _HN1     2     1.02772    90.93166   -86.22367
    3     1 S   H    _H1_     3     1.02964    89.34872    22.13002
    4     1 S   H    _H2_     4     1.02836    30.59679   148.53687
    5     1 S   CT   _CA1     5     1.50125   141.28645   144.96157
    6     5 S   HC   _HA1     6     1.09566   105.25965    61.01229
    7     5 S   CO3  _C1_     7     1.53818   112.39679   -59.30070
    8     7 S   O2Z  _O11     8     1.26346   114.93377   -41.43615
    9     7 S   O2Z  _O12     9     1.26235   114.95701   137.72808
   10     5 S   CT   _CB1    10     1.53090   107.44080   179.09367
   11    10 S   HC   HB11    11     1.09821   109.48242   -49.44894
   12    10 S   HC   HB12    12     1.09829   110.33461    67.16377
   13    10 S   CT   _CG1    13     1.52996   112.64628  -170.51948
   14    13 S   HC   HG11    14     1.09603   110.39127   -61.89827
   15    13 S   HC   HG12    15     1.09637   110.07008    57.36800
   16    13 S   C    _CD1    16     1.51790   112.29498   177.84106
   17    16 S   O    _OE1    17     1.22715   123.27150    -4.34938
   18    16 S   N    _N2_    18     1.38618   111.57463   175.57216
   19    18 S   H    _HN2    19     1.01578   119.02254     2.40550
   20    18 S   CT1  _CA2    20     1.46286   123.42599  -176.38107
   21    20 S   HC   _HA2    21     1.09726   109.41830   -10.40463
   22    20 S   C    _C2_    22     1.53362   108.50027  -126.29514
   23    22 S   O    _O2_    23     1.23015   122.23973  -145.84281
   24    20 S   CT   _CB2    32     1.53436   111.05931   111.47925
   25    24 S   HC   HB21    33     1.09603   109.55536    56.45834
   26    24 S   HC   HB22    34     1.09501   110.84959   175.39687
   27    22 S   N    _N3_    24     1.38509   113.37753    41.52950
   28    27 S   H    _HN3    25     1.01524   118.90330    -0.60620
   29    24 S   S    _SG2    35     1.82565   111.46661   -64.58382
   30    27 S   CT   _CA3    26     1.45452   123.46349   175.11380
   31    30 S   HC   HA31    27     1.09522   109.25073    24.13515
   32    30 S   HC   HA32    28     1.09496   107.11840   141.14073
   33    29 S   CT   _C18    36     1.81782    99.04939   159.49969
   34    33 S   HC   _H3_    37     1.09517   110.09961   -48.48863
   35    33 S   HC   _H4_    38     1.09455   108.33691    68.64650
   36    30 S   CO3  _C3_    29     1.52924   113.10583   -99.35322
   37    36 S   O2Z  _O31    30     1.26403   115.39998   -44.56650
   38    36 S   O2Z  _O32    31     1.26355   114.98546   136.36507
   39    33 S   CM   _C6_    39     1.49488   110.08251  -168.98853
   40    39 S   CMA  _C7_    40     1.35486   128.47966  -104.00904
   41    40 S   OM   _O16    41     1.26264   128.33581     2.41873
   42    40 S   OS   _O17    42     1.43899   109.00512  -175.93167
   43    42 S   CT   _C13    43     1.43445   103.20992   -23.41568
   44    43 S   HC   _H29    44     1.09987   106.77638   -78.53193
   45    43 S   CT   _C11    45     1.54189   116.02584   158.92782
   46    45 S   HC   _H27    46     1.10209   106.00066   -59.63805
   47    39 S   CT   _C12    62     1.49180   122.17521    84.54000
   48    47 S   HC   _H28    63     1.10156   105.80072    85.64665
   49    45 S   CM   _C5_    47     1.52682   117.82588    55.96426
   50    49 S   CM   _C4_    48     1.34747   120.57321   154.63669
   51    50 S   HC   _H20    49     1.08744   119.71090   178.84580
   52    49 S   CT   _C16    70     1.50158   119.44700   -28.67362
   53    52 S   HC   _H31    71     1.09442   110.47764   -56.77487
   54    52 S   HC   _H32    72     1.09569   112.12932  -176.07250
   55    52 S   HC   _H33    73     1.09430   110.65150    64.52767
   56    50 S   CT   _C8_    50     1.50048   124.59576    -1.57022
   57    56 S   HC   _H21    51     1.09704   109.23577   127.42761
   58    56 S   HC   _H22    52     1.09751   108.55807  -118.12352
   59    56 S   CT   _C14    53     1.53550   114.44707     5.23821
   60    59 S   HC   _H30    54     1.09813   108.87753    84.80232
   61    45 S   CT   _C15    55     1.58183   108.88352  -175.91572
   62    59 S   OH   _O18    68     1.42554   109.13072  -158.93970
   63    62 S   HO   _H39    69     0.97219   107.63645   -57.60811
   64    61 S   CT   _C10    56     1.56019   110.51847    53.44454
   65    64 S   HC   _H25    57     1.09695   110.59568  -174.14121
   66    64 S   HC   _H26    58     1.09833   109.03060    69.43373
   67    61 S   CT   _C17    64     1.55709   112.54485   -66.36627
   68    67 S   HC   _H34    65     1.09356   112.84305   -56.97422
   69    67 S   HC   _H35    66     1.09592   110.85985  -177.06202
   70    67 S   HC   _H36    67     1.09321   112.55275    63.59240
   71    64 S   CT   _C9_    59     1.53882   113.62734   -51.38651
   72    71 S   HC   _H23    60     1.09626   109.14292   174.31607
   73    71 S   HC   _H24    61     1.09506   110.51895   -68.65944
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  15   7  23   8   9   4
  13  12   5   5   2   1   1   9   5   4  12   5  12   3   1   9
   5   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    71    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    71    72    73    47    48  
   41    42    43    44    45    71    47    48  
   42    43    47  
   43    44    45    46    49    61    71    47    48  
   44    45    46    49    50    59    61    64    71    72    73    47    48    67    52  
   45    46    49    61    71    47    48  
   46    49    50    51    56    59    60    61    64    65    66    71    47    48    67    68    69    70    62    52    53    54    55  
   49    50    59    61    64    47    67    52  
   48    49    61    64    65    66    71    72    73  
   64    71    72    73  
   50    51    56    57    58    59    61    64    67    52    53    54    55  
   51    56    57    58    59    60    61    62    52    53    54    55  
   56    57    58    59    52  
   53    54    55    56    61  
   54    55  
   55  
    0  
   57    58    59    60    61    64    67    62    63  
   58    59    60    61    62  
   59    60    61    62  
   60    61    64    65    66    71    67    68    69    70    62    63  
   61    64    67    62    63  
   64    65    66    71    72    73    67    68    69    70    62    63  
   63    64    67  
    0  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    67  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   317.000  1.510
   45    61   268.000  1.529
   49    50   549.000  1.340
   49    52   317.000  1.510
   50    51   340.000  1.080
   50    56   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   320.000  1.410
   61    64   268.000  1.529
   61    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    47   268.000  1.529
   47    48   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   62    63   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    71    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    70.00000  112.02700
   43    45    61    58.35000  112.70000
   43    47    71    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    49    50    70.00000  124.00000
   45    49    52    65.00000  117.92700
   45    61    59    58.35000  112.70000
   45    61    64    58.35000  112.70000
   45    61    67    58.35000  112.70000
   49    45    46    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    56    70.00000  124.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    59    70.00000  112.02700
   56    50    51    35.00000  117.00000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    62    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    64    58.35000  112.70000
   59    61    67    58.35000  112.70000
   59    62    63    55.00000  108.50000
   61    45    46    37.50000  110.70000
   61    45    49    70.00000  112.02700
   61    59    60    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    71    58.35000  112.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    70    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    47    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    47    48    37.50000  110.70000
   73    71    72    33.00000  107.80000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    71    72    37.50000  110.70000
   47    71    73    37.50000  110.70000
   67    61    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    50.00000  109.50000
   52    49    50    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    71   0.46850  1.0 1.0
   33    39    47    71   0.08550 -1.0 2.0
   33    39    47    71   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    71   0.09850  1.0 1.0
   40    39    47    71   0.15250 -1.0 2.0
   40    39    47    71  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.61850  1.0 1.0
   42    43    45    49  -0.22750 -1.0 2.0
   42    43    45    49   0.15300  1.0 3.0
   42    43    45    61   0.62750  1.0 1.0
   42    43    45    61  -0.30950 -1.0 2.0
   42    43    45    61   0.27300  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    71   0.62750  1.0 1.0
   42    43    47    71  -0.30950 -1.0 2.0
   42    43    47    71   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.09850  1.0 1.0
   43    45    49    50   0.15250 -1.0 2.0
   43    45    49    50  -0.50650  1.0 3.0
   43    45    49    52   0.46850  1.0 1.0
   43    45    49    52   0.08550 -1.0 2.0
   43    45    49    52   0.09800  1.0 3.0
   43    45    61    59   0.56750  1.0 1.0
   43    45    61    59  -0.07550 -1.0 2.0
   43    45    61    59   0.20000  1.0 3.0
   43    45    61    64   0.56750  1.0 1.0
   43    45    61    64  -0.07550 -1.0 2.0
   43    45    61    64   0.20000  1.0 3.0
   43    45    61    67   0.56750  1.0 1.0
   43    45    61    67  -0.07550 -1.0 2.0
   43    45    61    67   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    61   0.15000  1.0 3.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    71   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.34400  1.0 1.0
   45    43    47    39   0.09450 -1.0 2.0
   45    43    47    39   0.11100  1.0 3.0
   45    43    47    71   0.56750  1.0 1.0
   45    43    47    71  -0.07550 -1.0 2.0
   45    43    47    71   0.20000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   7.00000 -1.0 2.0
   45    49    50    56   7.00000 -1.0 2.0
   45    49    52    53   0.34800  1.0 3.0
   45    49    52    54   0.34800  1.0 3.0
   45    49    52    55   0.34800  1.0 3.0
   45    61    64    65   0.15000  1.0 3.0
   45    61    64    66   0.15000  1.0 3.0
   45    61   -64    71   0.56750  1.0 1.0
   45    61   -64    71  -0.07550 -1.0 2.0
   45    61   -64    71   0.20000  1.0 3.0
   45    61    67    68   0.15000  1.0 3.0
   45    61    67    69   0.15000  1.0 3.0
   45    61    67    70   0.15000  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    52   0.34800  1.0 3.0
   46    45    61    59   0.15000  1.0 3.0
   46    45    61    64   0.15000  1.0 3.0
   46    45    61    67   0.15000  1.0 3.0
   49    45    61    59   0.34400  1.0 1.0
   49    45    61    59   0.09450 -1.0 2.0
   49    45    61    59   0.11100  1.0 3.0
   49    45    61    64   0.34400  1.0 1.0
   49    45    61    64   0.09450 -1.0 2.0
   49    45    61    64   0.11100  1.0 3.0
   49    45    61    67   0.34400  1.0 1.0
   49    45    61    67   0.09450 -1.0 2.0
   49    45    61    67   0.11100  1.0 3.0
   49    50    56    57   0.00000  1.0 1.0
   49    50    56    58   0.00000  1.0 1.0
   49    50   -56    59   0.09850  1.0 1.0
   49    50   -56    59   0.15250 -1.0 2.0
   49    50   -56    59  -0.50650  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   50    49    52    55   0.00000  1.0 1.0
   50    56    59    60   0.15000  1.0 3.0
   50    56    59    61   0.34400  1.0 1.0
   50    56    59    61   0.09450 -1.0 2.0
   50    56    59    61   0.11100  1.0 3.0
   50    56    59    62   1.05650  1.0 1.0
   50    56    59    62   0.15600 -1.0 2.0
   50    56    59    62   0.53150  1.0 3.0
   51    50    56    57   0.33100  1.0 3.0
   51    50    56    58   0.33100  1.0 3.0
   51    50    56    59   0.00000  1.0 1.0
   56    59   -61    45   0.56750  1.0 1.0
   56    59   -61    45  -0.07550 -1.0 2.0
   56    59   -61    45   0.20000  1.0 3.0
   56    59    61    64   0.56750  1.0 1.0
   56    59    61    64  -0.07550 -1.0 2.0
   56    59    61    64   0.20000  1.0 3.0
   56    59    61    67   0.56750  1.0 1.0
   56    59    61    67  -0.07550 -1.0 2.0
   56    59    61    67   0.20000  1.0 3.0
   56    59    62    63  -0.11600  1.0 1.0
   56    59    62    63  -0.09450 -1.0 2.0
   56    59    62    63   0.21250  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.23400  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.23400  1.0 3.0
   59    61    64    65   0.15000  1.0 3.0
   59    61    64    66   0.15000  1.0 3.0
   59    61    64    71   0.56750  1.0 1.0
   59    61    64    71  -0.07550 -1.0 2.0
   59    61    64    71   0.20000  1.0 3.0
   59    61    67    68   0.15000  1.0 3.0
   59    61    67    69   0.15000  1.0 3.0
   59    61    67    70   0.15000  1.0 3.0
   60    59    61    45   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    67   0.15000  1.0 3.0
   60    59    62    63   0.19450  1.0 3.0
   61    45   -49    50   0.09850  1.0 1.0
   61    45   -49    50   0.15250 -1.0 2.0
   61    45   -49    50  -0.50650  1.0 3.0
   61    45    49    52   0.46850  1.0 1.0
   61    45    49    52   0.08550 -1.0 2.0
   61    45    49    52   0.09800  1.0 3.0
   61    59    62    63  -0.11600  1.0 1.0
   61    59    62    63  -0.09450 -1.0 2.0
   61    59    62    63   0.21250  1.0 3.0
   61    64    71    72   0.15000  1.0 3.0
   61    64    71    73   0.15000  1.0 3.0
   61    64    71    47   0.56750  1.0 1.0
   61    64    71    47  -0.07550 -1.0 2.0
   61    64    71    47   0.20000  1.0 3.0
   64    61    67    68   0.15000  1.0 3.0
   64    61    67    69   0.15000  1.0 3.0
   64    61    67    70   0.15000  1.0 3.0
   64    71    47    39   0.34400  1.0 1.0
   64    71    47    39   0.09450 -1.0 2.0
   64    71    47    39   0.11100  1.0 3.0
   64    71   -47    43   0.56750  1.0 1.0
   64    71   -47    43  -0.07550 -1.0 2.0
   64    71   -47    43   0.20000  1.0 3.0
   64    71    47    48   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    47   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    47   0.15000  1.0 3.0
   72    71    47    39   0.15000  1.0 3.0
   72    71    47    43   0.15000  1.0 3.0
   72    71    47    48   0.15000  1.0 3.0
   73    71    47    39   0.15000  1.0 3.0
   73    71    47    43   0.15000  1.0 3.0
   73    71    47    48   0.15000  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.34400  1.0 1.0
   47    43    45    49   0.09450 -1.0 2.0
   47    43    45    49   0.11100  1.0 3.0
   47    43   -45    61   0.56750  1.0 1.0
   47    43   -45    61  -0.07550 -1.0 2.0
   47    43   -45    61   0.20000  1.0 3.0
   67    61    64    65   0.15000  1.0 3.0
   67    61    64    66   0.15000  1.0 3.0
   67    61    64    71   0.56750  1.0 1.0
   67    61    64    71  -0.07550 -1.0 2.0
   67    61    64    71   0.20000  1.0 3.0
   62    59    61    45   0.86500  1.0 1.0
   62    59    61    45  -0.17500 -1.0 2.0
   62    59    61    45   0.20800  1.0 3.0
   62    59    61    64   0.86500  1.0 1.0
   62    59    61    64  -0.17500 -1.0 2.0
   62    59    61    64   0.20800  1.0 3.0
   62    59    61    67   0.86500  1.0 1.0
   62    59    61    67  -0.17500 -1.0 2.0
   62    59    61    67   0.20800  1.0 3.0
   52    49    50    51   7.00000 -1.0 2.0
   52    49    50    56   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    52    49    50   1.10000 -1.0 2.0
   56    51    50    49   1.10000 -1.0 2.0
END
