* LIGAND DATABASE FILE (OPLS2005)
*
001      74    78    144    232     419
    1     0 S   NP   _N1_     1    28.99357    93.98834   -23.84474
    2     1 S   H    _HN1     2     1.02796   111.85077  -107.39840
    3     1 S   H    _H1_     3     1.02943    83.30103    -0.26244
    4     1 S   H    _H2_     4     1.02825    24.41021   167.41615
    5     1 S   CT   _CA1     5     1.50133   125.99796   110.18575
    6     5 S   HC   _HA1     6     1.09582   105.10617    81.20365
    7     5 S   CO3  _C1_     7     1.53654   112.38019   -38.84553
    8     7 S   O2Z  _O11     8     1.26373   115.03742   -45.14269
    9     7 S   O2Z  _O12     9     1.26231   114.94071   133.79563
   10     5 S   CT   _CB1    10     1.53056   107.36434  -161.02873
   11    10 S   HC   HB11    11     1.09847   109.04537   -50.26899
   12    10 S   HC   HB12    12     1.09805   110.62047    66.22960
   13    10 S   CT   _CG1    13     1.53057   112.75572  -171.25497
   14    13 S   HC   HG11    14     1.09534   110.78681   -72.22326
   15    13 S   HC   HG12    15     1.09669   109.67050    46.99659
   16    13 S   C    _CD1    16     1.51887   111.67495   167.39154
   17    16 S   O    _OE1    17     1.22761   123.09088    18.04978
   18    16 S   N    _N2_    18     1.38559   111.93704  -161.83809
   19    18 S   H    _HN2    19     1.01585   118.85455    -0.62558
   20    18 S   CT1  _CA2    20     1.46368   123.51211   174.01306
   21    20 S   HC   _HA2    21     1.09735   109.49222     3.32184
   22    20 S   C    _C2_    22     1.53595   108.21052  -111.94309
   23    22 S   O    _O2_    23     1.23044   122.39114  -146.92579
   24    20 S   CT   _CB2    32     1.53181   111.32355   125.77254
   25    24 S   HC   HB21    33     1.09510   109.55867    53.25918
   26    24 S   HC   HB22    34     1.09490   111.00630   172.07927
   27    22 S   N    _N3_    24     1.38364   113.60565    40.52067
   28    27 S   H    _HN3    25     1.01571   119.55480    -3.16471
   29    24 S   S    _SG2    35     1.82714   110.94374   -68.79823
   30    27 S   CT   _CA3    26     1.45272   123.33577   177.28394
   31    30 S   HC   HA31    27     1.09545   107.51796   -64.77453
   32    30 S   HC   HA32    28     1.09554   107.99572    51.69237
   33    29 S   CT   _C20    36     1.84756   100.07705   153.87956
   34    33 S   HC   _H4_    37     1.09847   106.77820     9.29864
   35    30 S   CO3  _C3_    29     1.52990   114.00576   173.68848
   36    35 S   O2Z  _O31    30     1.26391   116.07200    -0.38614
   37    35 S   O2Z  _O32    31     1.26424   114.41790   179.66370
   38    33 S   CM   _C19    38     1.51256   109.07606   121.75540
   39    38 S   HC   _H17    39     1.08873   118.43335   -27.74430
   40    38 S   CMA  _C18    40     1.34983   122.94382   155.05441
   41    40 S   OM   _O33    41     1.25921   130.93416   178.16688
   42    40 S   CM   _C17    42     1.46158   117.65963     0.27554
   43    42 S   HC   _H16    43     1.08892   119.21744   165.56753
   44    42 S   CM   _C16    44     1.34346   122.59095   -15.26669
   45    44 S   HC   _H15    45     1.08669   118.56911  -178.40223
   46    33 S   CT   _C15    46     1.56779   114.25734  -110.13877
   47    46 S   CA   _C11    47     1.51682   117.49825   -37.34640
   48    46 S   CT   _C14    68     1.57718   109.83247    75.18578
   49    48 S   HC   _H13    69     1.09658   112.38942    81.75595
   50    48 S   HC   _H14    70     1.09742   110.56394   -37.36817
   51    47 S   CR3  _C12    48     1.39812   110.47039   134.63675
   52    51 S   CA   _C7_    49     1.39508   123.82664  -174.83950
   53    52 S   CA   _C8_    50     1.39565   118.04755    -3.33795
   54    53 S   HA   _H12    51     1.08454   121.25576   179.10017
   55    52 S   CT   _C6_    59     1.50347   118.20430   171.12613
   56    55 S   HC   _H10    60     1.09593   109.87841   134.53994
   57    55 S   HC   _H11    61     1.09580   107.38100  -108.33720
   58    53 S   CA   _C9_    52     1.39052   117.87873     0.15066
   59    55 S   CT   _C5_    62     1.54863   113.71583    11.86063
   60    59 S   HC   _H8_    63     1.09915   108.94812    83.14445
   61    59 S   HC   _H9_    64     1.09684   107.91425  -161.39033
   62    47 S   CA   _C10    53     1.37123   132.66808   -44.64370
   63    59 S   NT   _N4_    65     1.48290   112.99377   -39.28095
   64    62 S   OS   _O34    54     1.35673   127.49245    -2.44168
   65    51 S   CT   _C13    66     1.49795   112.38000     5.06585
   66    65 S   HC   _H3_    67     1.09935   108.42026    89.99559
   67    63 S   CT   _C4_    71     1.46165   110.42604  -175.02153
   68    67 S   HC   _H5_    72     1.09515   110.84598   177.24871
   69    67 S   HC   _H6_    73     1.09574   110.42283    59.60812
   70    67 S   HC   _H7_    74     1.09595   112.27542   -61.33924
   71    64 S   CO   _C21    55     1.43950   101.31646   179.29058
   72    71 S   HC   _H18    56     1.09603   108.67205  -121.30171
   73    71 S   HC   _H19    57     1.09607   108.70941   120.57328
   74    58 S   OS   _O35    58     1.36384   124.97522  -179.82086
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1   9   4   6   3   6   3   9   3  12  15  10
   5   4  14  14  11   4   9   5   4   6   9   4   3   6   6   4
   5   1   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    51    62    65    48    49    50  
   38    39    40    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    48  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    51    62    65    48    49    50  
   46    47    48  
   47    51    52    58    62    64    63    65    66    48    49    50  
   51    52    53    58    62    64    71    74    55    63    65    66    48    49    50  
   49    50    67    51    52    59    62    63    65    66  
   50    51    63    65    66  
   51    63    65    66  
   52    53    54    58    62    64    55    56    57    59    63    65    66    67  
   53    54    58    62    74    55    56    57    59    60    61    63    65    66  
   54    58    62    64    71    74    55    56    57    59    65  
   58    62    74    55  
   56    57    59    60    61    63    65    67    58  
   57    59    60    61    63  
   59    60    61    63  
   62    64    71    72    73    74  
   60    61    63    65    66    67    68    69    70  
   61    63    65    67  
   63    65    67  
   64    71    72    73    74    65  
   65    66    67    68    69    70  
   71    72    73    74  
   66    67    68    69    70  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   317.000  1.510
   46    48   268.000  1.529
   47    51   490.000  1.398
   47    62   469.000  1.400
   51    52   490.000  1.398
   51    65   317.000  1.510
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    74   450.000  1.364
   62    64   450.000  1.364
   64    71   320.000  1.380
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   320.000  1.380
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   382.000  1.448
   63    65   382.000  1.448
   63    67   382.000  1.448
   65    66   340.000  1.090
   65    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    70.00000  112.17500
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.99600
   44    46    48    70.00000  112.02700
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    51    80.00000  105.07000
   46    47    62    70.00000  120.00000
   46    48    65    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   47    51    52    60.00000  130.80000
   47    51    65    70.00000  120.00000
   47    62    58    63.00000  120.00000
   47    62    64    70.00000  120.00000
   51    52    53    70.00000  112.88000
   51    52    55    80.00000  105.07000
   51    65    63    75.00000  112.33000
   51    65    66    35.00000  109.50000
   51    65    48    70.00000  112.17500
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.17500
   53    58    62    63.00000  120.00000
   53    58    74    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    64    70.00000  120.00000
   58    74    71   100.00000  112.36700
   62    47    51    70.00000  112.88000
   62    64    71   100.00000  112.36700
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    92.60000  111.55000
   73    71    72    33.00000  109.50000
   74    58    62    70.00000  120.00000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   55    52    53    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    63    56.20000  109.47000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    65    51.80000  107.20000
   59    63    67    51.80000  107.20000
   61    59    60    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    35.00000  109.50000
   63    65    66    35.00000  109.50000
   63    65    48    56.20000  109.47000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   65    51    52    70.00000  120.00000
   65    48    49    37.50000  110.70000
   65    48    50    37.50000  110.70000
   48    46    47    70.00000  112.17500
   48    65    66    37.50000  110.70000
   50    48    49    33.00000  107.80000
   67    63    65    51.80000  107.20000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    51   0.04150 -1.0 2.0
   33    46    47    62   0.04150 -1.0 2.0
   33    46    48    65   0.56750  1.0 1.0
   33    46    48    65  -0.07550 -1.0 2.0
   33    46    48    65   0.20000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.43200  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.21200  1.0 1.0
   38    33    46    47   0.16900 -1.0 2.0
   38    33    46    47  -1.15100  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   1.44450  1.0 1.0
   42    44    46    47   0.06600 -1.0 2.0
   42    44    46    47   0.29250  1.0 3.0
   42    44    46    48   0.09850  1.0 1.0
   42    44    46    48   0.15250 -1.0 2.0
   42    44    46    48  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    51   0.18050 -1.0 2.0
   44    46    47    62   0.18050 -1.0 2.0
   44    46    48    65   0.34400  1.0 1.0
   44    46    48    65   0.09450 -1.0 2.0
   44    46    48    65   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    65   3.62500 -1.0 2.0
   46    47    62    58   3.62500 -1.0 2.0
   46    47    62    64   3.62500 -1.0 2.0
   47    46   -48    65  -0.03700  1.0 1.0
   47    46   -48    65   0.37200 -1.0 2.0
   47    46   -48    65  -0.47300  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    65    63   0.18550 -1.0 2.0
   47    51    65    63   0.14000  1.0 3.0
   47    51    65    66   0.00000  1.0 1.0
   47    51   -65    48   0.04150 -1.0 2.0
   47    62    64    71   1.63200 -1.0 2.0
   51    47    62    58   3.62500 -1.0 2.0
   51    47    62    64   3.62500 -1.0 2.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52   -53    58   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    59   0.04150 -1.0 2.0
   51    65   -48    46  -0.03700  1.0 1.0
   51    65   -48    46   0.37200 -1.0 2.0
   51    65   -48    46  -0.47300  1.0 3.0
   51    65    48    49   0.43200  1.0 3.0
   51    65    48    50   0.43200  1.0 3.0
   52    51    65    63   0.18550 -1.0 2.0
   52    51    65    63   0.14000  1.0 3.0
   52    51    65    66   0.00000  1.0 1.0
   52    51    65    48   0.04150 -1.0 2.0
   52    53    58    62   3.62500 -1.0 2.0
   52    53    58    74   3.62500 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55   -59    63   0.83750  1.0 1.0
   52    55   -59    63   0.32200 -1.0 2.0
   52    55   -59    63   0.70600  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    59   0.04150 -1.0 2.0
   53    58   -62    47   3.62500 -1.0 2.0
   53    58    62    64   3.62500 -1.0 2.0
   53    58    74    71   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    74   3.62500 -1.0 2.0
   58    62   -64    71   1.63200 -1.0 2.0
   62    47   -51    52   3.62500 -1.0 2.0
   62    47    51    65   3.62500 -1.0 2.0
   62    58   -74    71   1.63200 -1.0 2.0
   62    64    71    72   0.08050  1.0 3.0
   62    64    71    73   0.08050  1.0 3.0
   62    64   -71    74  -0.25600  1.0 1.0
   62    64   -71    74  -0.40050 -1.0 2.0
   62    64   -71    74   0.34700  1.0 3.0
   64    71   -74    58  -0.25600  1.0 1.0
   64    71   -74    58  -0.40050 -1.0 2.0
   64    71   -74    58   0.34700  1.0 3.0
   72    71    74    58   0.08050  1.0 3.0
   73    71    74    58   0.08050  1.0 3.0
   74    58    62    47   3.62500 -1.0 2.0
   74    58   -62    64   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    59    63    65   0.23450  1.0 1.0
   55    59    63    65   0.02050 -1.0 2.0
   55    59    63    65   0.25250  1.0 3.0
   55    59    63    67   0.58650  1.0 1.0
   55    59    63    67   0.12600 -1.0 2.0
   55    59    63    67   0.33350  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.15000  1.0 3.0
   59    63   -65    51   0.82600  1.0 1.0
   59    63   -65    51  -0.32100 -1.0 2.0
   59    63   -65    51   1.02000  1.0 3.0
   59    63    65    66   0.28000  1.0 3.0
   59    63    65    48   0.23450  1.0 1.0
   59    63    65    48   0.02050 -1.0 2.0
   59    63    65    48   0.25250  1.0 3.0
   59    63    67    68   0.28000  1.0 3.0
   59    63    67    69   0.28000  1.0 3.0
   59    63    67    70   0.28000  1.0 3.0
   60    59    63    65   0.28000  1.0 3.0
   60    59    63    67   0.28000  1.0 3.0
   61    59    63    65   0.28000  1.0 3.0
   61    59    63    67   0.28000  1.0 3.0
   63    65    48    46   1.53400  1.0 1.0
   63    65    48    46  -0.09950 -1.0 2.0
   63    65    48    46   0.05700  1.0 3.0
   63    65    48    49   0.15000  1.0 3.0
   63    65    48    50   0.15000  1.0 3.0
   65    51    52    53   3.62500 -1.0 2.0
   65    51   -52    55   3.62500 -1.0 2.0
   65    63    67    68   0.28000  1.0 3.0
   65    63    67    69   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   66    65    48    46   0.15000  1.0 3.0
   66    65    48    49   0.15000  1.0 3.0
   66    65    48    50   0.15000  1.0 3.0
   48    46   -47    51   0.04150 -1.0 2.0
   48    46    47    62   0.04150 -1.0 2.0
   67    63    65    51   0.82600  1.0 1.0
   67    63    65    51  -0.32100 -1.0 2.0
   67    63    65    51   1.02000  1.0 3.0
   67    63    65    66   0.28000  1.0 3.0
   67    63    65    48   0.58650  1.0 1.0
   67    63    65    48   0.12600 -1.0 2.0
   67    63    65    48   0.33350  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   51    62    47    46   4.00000 -1.0 2.0
   52    65    51    47   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   62    74    58    53   4.00000 -1.0 2.0
   58    64    62    47   4.00000 -1.0 2.0
END
