* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    236     424
    1     0 S   NP   _N1_     1    28.81503    95.18237   -24.48045
    2     1 S   H    _HN1     2     1.02826    27.98761   172.18729
    3     1 S   H    _H1_     3     1.02787   111.13347   -99.27661
    4     1 S   H    _H2_     4     1.02949    79.99732     6.67244
    5     1 S   CT   _CA1     5     1.50117   128.68546   114.86852
    6     5 S   HC   _HA1     6     1.09574   105.18981    84.26613
    7     5 S   CO3  _C1_     7     1.53778   112.41436   -35.96336
    8     7 S   O2Z  _O11     8     1.26373   115.00471   -43.75732
    9     7 S   O2Z  _O12     9     1.26236   114.93585   135.30026
   10     5 S   CT   _CB1    10     1.53069   107.40649  -157.78353
   11    10 S   HC   HB11    11     1.09836   109.35153   -49.78330
   12    10 S   HC   HB12    12     1.09812   110.47033    66.81476
   13    10 S   CT   _CG1    13     1.52998   112.61193  -170.74553
   14    13 S   HC   HG11    14     1.09580   110.66018   -66.08195
   15    13 S   HC   HG12    15     1.09670   109.76305    53.15642
   16    13 S   C    _CD1    16     1.51808   112.13594   173.60610
   17    16 S   O    _OE1    17     1.22746   123.23999     8.45738
   18    16 S   N    _N2_    18     1.38634   111.71901  -171.57359
   19    18 S   H    _HN2    19     1.01580   119.03046     1.28146
   20    18 S   CT1  _CA2    20     1.46252   123.43552   177.44549
   21    20 S   HC   _HA2    21     1.09743   109.23166     5.36794
   22    20 S   C    _C2_    22     1.53649   109.03441  -110.08978
   23    22 S   O    _O2_    23     1.23074   122.24357  -151.16131
   24    20 S   CT   _CB2    32     1.53411   111.51502   127.23860
   25    24 S   HC   HB21    33     1.09471   109.60724    56.09321
   26    24 S   HC   HB22    34     1.09492   110.08908   175.45304
   27    22 S   N    _N3_    24     1.38323   113.88364    36.45676
   28    27 S   H    _HN3    25     1.01554   119.57784    -3.54171
   29    24 S   S    _SG2    35     1.82627   111.22797   -64.56388
   30    27 S   CT   _CA3    26     1.45273   123.24016   177.07256
   31    30 S   HC   HA31    27     1.09548   107.53749   -64.16531
   32    30 S   HC   HA32    28     1.09557   107.96411    52.27909
   33    29 S   CT   _C14    36     1.84547   100.51630  -171.37063
   34    33 S   HC   _H6_    37     1.10084   104.32491    55.33404
   35    30 S   CO3  _C3_    29     1.52959   114.06658   174.27419
   36    35 S   O2Z  _O31    30     1.26379   116.08263     0.04423
   37    35 S   O2Z  _O32    31     1.26427   114.41209  -179.91844
   38    33 S   CT   _C13    38     1.56432   114.43926   -66.62444
   39    38 S   OM   _O37    39     1.32363   108.53895    96.56423
   40    38 S   HC   _H5_    40     1.09719   108.07417   -35.00440
   41    38 S   C3T  _C11    41     1.53826   103.16007  -146.66357
   42    41 S   C3T  _C12    42     1.52845   118.45981   155.38716
   43    42 S   HC   _H15    43     1.07981   121.17382  -148.05630
   44    42 S   HC   _H16    44     1.08383   118.22284     0.25101
   45    41 S   CT   _C10    46     1.53779   111.63895    -1.79602
   46    41 S   O3T  _O33    45     1.44378   118.12381  -138.83118
   47    45 S   CT   _C9_    47     1.54970   114.99873   144.86476
   48    47 S   HC   _H13    48     1.09597   109.07730   156.59417
   49    47 S   HC   _H14    49     1.09519   109.98323    41.78706
   50    45 S   CT   _C18    70     1.55224   108.54990   -94.91929
   51    50 S   HC   _H18    71     1.09476   112.12965    53.88515
   52    50 S   HC   _H19    72     1.09630   110.90551   -65.77968
   53    50 S   HC   _H20    73     1.09559   111.64097   174.96429
   54    47 S   CT   _C8_    50     1.53438   115.02264   -82.05089
   55    54 S   HC   _H4_    51     1.09490   110.91864   174.78571
   56    54 S   CT   _C7_    52     1.52488   113.10844   -58.47342
   57    56 S   HC   _H3_    53     1.10457   106.42469  -179.81443
   58    56 S   CT   _C16    54     1.54415    97.24921    70.25503
   59    58 S   HC   _H7_    55     1.09380   108.76122   163.09642
   60    56 S   CM   _C5_    62     1.51498   119.16916   -63.43275
   61    58 S   CO4  _C17    56     1.51499    96.90258    48.23869
   62    61 S   O    _O34    57     1.21922   126.98229   145.88829
   63    33 S   CT   _C15    59     1.56883   112.99731   171.38689
   64    60 S   CM   _C6_    63     1.34326   123.05690   150.83832
   65    64 S   HC   _H11    64     1.08535   121.44228   176.78046
   66    64 S   HC   _H12    65     1.08384   122.01515    -1.70249
   67    60 S   CT   _C4_    66     1.50650   117.18465   -36.43929
   68    67 S   HC   _H8_    67     1.09511   110.19985   -50.58483
   69    67 S   HC   _H9_    68     1.09276   111.28864    69.97293
   70    67 S   HC   _H10    69     1.09562   112.15058  -169.92528
   71    54 S   OS   _O35    58     1.43974   110.21167    54.72116
   72    63 S   OH   _O36    60     1.43303   106.08924   -82.83311
   73    72 S   HO   _H17    61     0.97308   107.36806    55.46508
  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  10   5   4   3
  17   8   2   1   1  13   6   5  16   7   3   2  18   3  16   7
   6   7   3   2   1  12   6  16   8  10   6  10   4   2   3   6
   2   1   3   2   1   1   1   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    63    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    58    63    72  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    45    47    56    58    59    61    63    72    73    50  
   38    39    40    41    45    58    63    72  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    45    47    58    63    72    50  
   40    41    42    46    45    63  
   41    42    46    45    63  
   42    43    44    46    45    47    48    49    54    58    63    72    50    51    52    53  
   43    44    46    45    47    63    50  
   44    46    45  
   46    45  
   47    48    49    54    55    56    58    59    61    71    63    72    73    50    51    52    53    46  
   47    63    50  
   48    49    54    55    56    57    58    61    71    63    72    60    50    51    52    53  
   49    54    55    56    71    63    50  
   54    55    56    71    63    50  
   51    52    53    54    58    63    72  
   52    53    63  
   53    63  
   63  
   55    56    57    58    59    61    62    71    63    60    64    67  
   56    57    58    61    71    60  
   57    58    59    61    62    71    63    72    60    64    65    66    67    68    69    70  
   58    59    61    71    63    60    64    67  
   59    61    62    71    63    72    73    60    64    67  
   61    62    71    63    72    60  
   64    65    66    67    68    69    70    61    63    71  
   62    71    63    72  
   71    63  
   72    73    71  
   65    66    67    68    69    70  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
    0  
   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   0.107500   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    63   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   275.000  1.510
   41    42   260.000  1.509
   41    46   335.000  1.432
   41    45   275.000  1.510
   42    43   340.000  1.088
   42    44   340.000  1.088
   42    46   335.000  1.432
   45    47   268.000  1.529
   45    63   268.000  1.529
   45    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    71   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   317.000  1.510
   58    59   340.000  1.090
   58    61   317.000  1.522
   58    63   268.000  1.529
   61    62   570.000  1.229
   61    71   214.000  1.327
   63    72   320.000  1.410
   72    73   553.000  0.945
   60    64   549.000  1.340
   60    67   317.000  1.510
   64    65   340.000  1.080
   64    66   340.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  111.63000
   29    33    63    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.37300
   33    63    45    58.35000  112.70000
   33    63    58    58.35000  112.70000
   33    63    72    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    60.00000  120.94000
   38    41    46    80.00000  116.47100
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    45.00000  109.38400
   41    42    43    37.50000  117.20000
   41    42    44    37.50000  117.20000
   41    42    46    15.00000   60.43100
   41    46    42    15.00000   59.14900
   41    45    47    70.00000  112.37300
   41    45    63    70.00000  112.37300
   41    45    50    70.00000  112.37300
   44    42    43    35.00000  114.30000
   46    41    42    15.00000   60.43100
   46    42    43    50.00000  114.27700
   46    42    44    50.00000  114.27700
   45    41    42    60.00000  120.94000
   45    41    46    80.00000  116.47100
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    54    58.35000  112.70000
   45    63    58    58.35000  112.70000
   45    63    72    50.00000  109.50000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    56    58.35000  112.70000
   47    54    71    50.00000  109.50000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    60    70.00000  112.02700
   54    71    61    83.00000  116.90000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    61    63.00000  111.10000
   56    58    63    58.35000  112.70000
   56    60    64    70.00000  124.00000
   56    60    67    65.00000  117.92700
   58    56    57    37.50000  110.70000
   58    61    62    80.00000  120.40000
   58    61    71    81.00000  111.40000
   58    63    72    50.00000  109.50000
   61    58    59    35.00000  109.50000
   71    54    55    35.00000  109.50000
   71    54    56    50.00000  109.50000
   71    61    62    83.00000  123.40000
   63    33    34    37.50000  110.70000
   63    33    38    58.35000  112.70000
   63    45    47    58.35000  112.70000
   63    58    59    37.50000  110.70000
   63    58    61    63.00000  111.10000
   63    72    73    55.00000  108.50000
   60    56    57    35.00000  109.50000
   60    56    58    70.00000  112.02700
   60    64    65    35.00000  120.00000
   60    64    66    35.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   66    64    65    35.00000  117.00000
   67    60    64    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   50    45    47    58.35000  112.70000
   50    45    63    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    63    45   0.44750  1.0 1.0
   29    33    63    45  -0.17800 -1.0 2.0
   29    33    63    45   0.20200  1.0 3.0
   29    33    63    58   0.44750  1.0 1.0
   29    33    63    58  -0.17800 -1.0 2.0
   29    33    63    58   0.20200  1.0 3.0
   29    33    63    72   0.56750  1.0 1.0
   29    33    63    72  -0.07550 -1.0 2.0
   29    33    63    72   0.20000  1.0 3.0
   33    38    41    42   0.07850  1.0 1.0
   33    38    41    42  -0.03950 -1.0 2.0
   33    38    41    42   0.67350  1.0 3.0
   33    38    41    46   0.02550  1.0 1.0
   33    38    41    46  -0.02600 -1.0 2.0
   33    38    41    46   1.20400  1.0 3.0
   33    38   -41    45   0.56750  1.0 1.0
   33    38   -41    45  -0.07550 -1.0 2.0
   33    38   -41    45   0.20000  1.0 3.0
   33    63    72    73  -0.11600  1.0 1.0
   33    63    72    73  -0.09450 -1.0 2.0
   33    63    72    73   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    63    45   0.15000  1.0 3.0
   34    33    63    58   0.15000  1.0 3.0
   34    33    63    72   0.23400  1.0 3.0
   38    33   -63    45   0.56750  1.0 1.0
   38    33   -63    45  -0.07550 -1.0 2.0
   38    33   -63    45   0.20000  1.0 3.0
   38    33    63    58   0.56750  1.0 1.0
   38    33    63    58  -0.07550 -1.0 2.0
   38    33    63    58   0.20000  1.0 3.0
   38    33    63    72   0.86500  1.0 1.0
   38    33    63    72  -0.17500 -1.0 2.0
   38    33    63    72   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    44   0.15000  1.0 3.0
   38    41   -42    46   0.02550  1.0 1.0
   38    41   -42    46  -0.02600 -1.0 2.0
   38    41   -42    46   1.20400  1.0 3.0
   38    41   -46    42   0.06250  1.0 1.0
   38    41   -46    42  -0.01100 -1.0 2.0
   38    41   -46    42   0.28050  1.0 3.0
   38    41    45    47   0.56750  1.0 1.0
   38    41    45    47  -0.07550 -1.0 2.0
   38    41    45    47   0.20000  1.0 3.0
   38    41   -45    63   0.56750  1.0 1.0
   38    41   -45    63  -0.07550 -1.0 2.0
   38    41   -45    63   0.20000  1.0 3.0
   38    41    45    50   0.56750  1.0 1.0
   38    41    45    50  -0.07550 -1.0 2.0
   38    41    45    50   0.20000  1.0 3.0
   39    38    41    42  -0.26800  1.0 1.0
   39    38    41    42   0.69150 -1.0 2.0
   39    38    41    42  -0.48750  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    45    47    48   0.15000  1.0 3.0
   41    45    47    49   0.15000  1.0 3.0
   41    45    47    54   0.47050  1.0 1.0
   41    45    47    54   0.03900 -1.0 2.0
   41    45    47    54   0.20100  1.0 3.0
   41    45   -63    33   0.47050  1.0 1.0
   41    45   -63    33   0.03900 -1.0 2.0
   41    45   -63    33   0.20100  1.0 3.0
   41    45    63    58   0.47050  1.0 1.0
   41    45    63    58   0.03900 -1.0 2.0
   41    45    63    58   0.20100  1.0 3.0
   41    45    63    72   0.86500  1.0 1.0
   41    45    63    72  -0.17500 -1.0 2.0
   41    45    63    72   0.20800  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45    50    52   0.15000  1.0 3.0
   41    45    50    53   0.15000  1.0 3.0
   42    41    45    47   0.07850  1.0 1.0
   42    41    45    47  -0.03950 -1.0 2.0
   42    41    45    47   0.67350  1.0 3.0
   42    41    45    63   0.07850  1.0 1.0
   42    41    45    63  -0.03950 -1.0 2.0
   42    41    45    63   0.67350  1.0 3.0
   42    41    45    50   0.07850  1.0 1.0
   42    41    45    50  -0.03950 -1.0 2.0
   42    41    45    50   0.67350  1.0 3.0
   43    42   -46    41   0.36800  1.0 3.0
   44    42   -46    41   0.36800  1.0 3.0
   46    41   -42    43   0.23400  1.0 3.0
   46    41   -42    44   0.23400  1.0 3.0
   46    41    45    47   0.02550  1.0 1.0
   46    41    45    47  -0.02600 -1.0 2.0
   46    41    45    47   1.20400  1.0 3.0
   46    41    45    63   0.02550  1.0 1.0
   46    41    45    63  -0.02600 -1.0 2.0
   46    41    45    63   1.20400  1.0 3.0
   46    41    45    50   0.02550  1.0 1.0
   46    41    45    50  -0.02600 -1.0 2.0
   46    41    45    50   1.20400  1.0 3.0
   45    41    42    43   0.15000  1.0 3.0
   45    41    42    44   0.15000  1.0 3.0
   45    41   -42    46   0.02550  1.0 1.0
   45    41   -42    46  -0.02600 -1.0 2.0
   45    41   -42    46   1.20400  1.0 3.0
   45    41   -46    42   0.06250  1.0 1.0
   45    41   -46    42  -0.01100 -1.0 2.0
   45    41   -46    42   0.28050  1.0 3.0
   45    47    54    55   0.15000  1.0 3.0
   45    47    54    56   0.56750  1.0 1.0
   45    47    54    56  -0.07550 -1.0 2.0
   45    47    54    56   0.20000  1.0 3.0
   45    47    54    71   0.62750  1.0 1.0
   45    47    54    71  -0.30950 -1.0 2.0
   45    47    54    71   0.27300  1.0 3.0
   45    63    72    73  -0.11600  1.0 1.0
   45    63    72    73  -0.09450 -1.0 2.0
   45    63    72    73   0.21250  1.0 3.0
   47    45    63    33   0.56750  1.0 1.0
   47    45    63    33  -0.07550 -1.0 2.0
   47    45    63    33   0.20000  1.0 3.0
   47    45    63    58   0.56750  1.0 1.0
   47    45    63    58  -0.07550 -1.0 2.0
   47    45    63    58   0.20000  1.0 3.0
   47    45    63    72   0.86500  1.0 1.0
   47    45    63    72  -0.17500 -1.0 2.0
   47    45    63    72   0.20800  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    53   0.15000  1.0 3.0
   47    54    56    57   0.15000  1.0 3.0
   47    54   -56    58   0.56750  1.0 1.0
   47    54   -56    58  -0.07550 -1.0 2.0
   47    54   -56    58   0.20000  1.0 3.0
   47    54    56    60   0.34400  1.0 1.0
   47    54    56    60   0.09450 -1.0 2.0
   47    54    56    60   0.11100  1.0 3.0
   47    54    71    61  -0.25900  1.0 1.0
   47    54    71    61  -0.47000 -1.0 2.0
   47    54    71    61   0.11750  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    71   0.23400  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56   0.15000  1.0 3.0
   49    47    54    71   0.23400  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56   -58    61  -0.95700  1.0 1.0
   54    56   -58    61  -0.18200 -1.0 2.0
   54    56   -58    61   0.29450  1.0 3.0
   54    56    58    63   0.56750  1.0 1.0
   54    56    58    63  -0.07550 -1.0 2.0
   54    56    58    63   0.20000  1.0 3.0
   54    56    60    64   0.09850  1.0 1.0
   54    56    60    64   0.15250 -1.0 2.0
   54    56    60    64  -0.50650  1.0 3.0
   54    56    60    67   0.46850  1.0 1.0
   54    56    60    67   0.08550 -1.0 2.0
   54    56    60    67   0.09800  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    71    61   0.08050  1.0 3.0
   56    54   -71    61  -0.25900  1.0 1.0
   56    54   -71    61  -0.47000 -1.0 2.0
   56    54   -71    61   0.11750  1.0 3.0
   56    58    61    62   0.30150 -1.0 2.0
   56    58   -61    71   0.36750  1.0 3.0
   56    58    63    33   0.56750  1.0 1.0
   56    58    63    33  -0.07550 -1.0 2.0
   56    58    63    33   0.20000  1.0 3.0
   56    58   -63    45   0.56750  1.0 1.0
   56    58   -63    45  -0.07550 -1.0 2.0
   56    58   -63    45   0.20000  1.0 3.0
   56    58    63    72   0.86500  1.0 1.0
   56    58    63    72  -0.17500 -1.0 2.0
   56    58    63    72   0.20800  1.0 3.0
   56    60    64    65   7.00000 -1.0 2.0
   56    60    64    66   7.00000 -1.0 2.0
   56    60    67    68   0.34800  1.0 3.0
   56    60    67    69   0.34800  1.0 3.0
   56    60    67    70   0.34800  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    61  -0.11250  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    60    64   0.00000  1.0 1.0
   57    56    60    67   0.34800  1.0 3.0
   58    56    60    64   0.09850  1.0 1.0
   58    56    60    64   0.15250 -1.0 2.0
   58    56    60    64  -0.50650  1.0 3.0
   58    56    60    67   0.46850  1.0 1.0
   58    56    60    67   0.08550 -1.0 2.0
   58    56    60    67   0.09800  1.0 3.0
   58    61   -71    54   1.63150  1.0 1.0
   58    61   -71    54   2.92000 -1.0 2.0
   58    63    72    73  -0.11600  1.0 1.0
   58    63    72    73  -0.09450 -1.0 2.0
   58    63    72    73   0.21250  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    71   0.00000  1.0 1.0
   59    58    63    33   0.15000  1.0 3.0
   59    58    63    45   0.15000  1.0 3.0
   59    58    63    72   0.23400  1.0 3.0
   61    58    63    33  -0.95700  1.0 1.0
   61    58    63    33  -0.18200 -1.0 2.0
   61    58    63    33   0.29450  1.0 3.0
   61    58    63    45  -0.95700  1.0 1.0
   61    58    63    45  -0.18200 -1.0 2.0
   61    58    63    45   0.29450  1.0 3.0
   61    58    63    72  -0.09450  1.0 1.0
   61    58    63    72  -1.12950 -1.0 2.0
   61    58    63    72   0.54000  1.0 3.0
   62    61    71    54   3.00000 -1.0 2.0
   71    54    56    57   0.23400  1.0 3.0
   71    54   -56    58   0.62750  1.0 1.0
   71    54   -56    58  -0.30950 -1.0 2.0
   71    54   -56    58   0.27300  1.0 3.0
   71    54    56    60   0.61850  1.0 1.0
   71    54    56    60  -0.22750 -1.0 2.0
   71    54    56    60   0.15300  1.0 3.0
   63    33    38    39   0.62750  1.0 1.0
   63    33    38    39  -0.30950 -1.0 2.0
   63    33    38    39   0.27300  1.0 3.0
   63    33    38    40   0.15000  1.0 3.0
   63    33   -38    41   0.47050  1.0 1.0
   63    33   -38    41   0.03900 -1.0 2.0
   63    33   -38    41   0.20100  1.0 3.0
   63    45    47    48   0.15000  1.0 3.0
   63    45    47    49   0.15000  1.0 3.0
   63    45   -47    54   0.56750  1.0 1.0
   63    45   -47    54  -0.07550 -1.0 2.0
   63    45   -47    54   0.20000  1.0 3.0
   63    45    50    51   0.15000  1.0 3.0
   63    45    50    52   0.15000  1.0 3.0
   63    45    50    53   0.15000  1.0 3.0
   63    58    61    62   0.30150 -1.0 2.0
   63    58    61    71   0.36750  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    61  -0.98800  1.0 1.0
   60    56    58    61   0.48800 -1.0 2.0
   60    56    58    61   0.76800  1.0 3.0
   60    56    58    63   0.34400  1.0 1.0
   60    56    58    63   0.09450 -1.0 2.0
   60    56    58    63   0.11100  1.0 3.0
   64    60    67    68   0.00000  1.0 1.0
   64    60    67    69   0.00000  1.0 1.0
   64    60    67    70   0.00000  1.0 1.0
   67    60    64    65   7.00000 -1.0 2.0
   67    60    64    66   7.00000 -1.0 2.0
   50    45    47    48   0.15000  1.0 3.0
   50    45    47    49   0.15000  1.0 3.0
   50    45    47    54   0.56750  1.0 1.0
   50    45    47    54  -0.07550 -1.0 2.0
   50    45    47    54   0.20000  1.0 3.0
   50    45    63    33   0.56750  1.0 1.0
   50    45    63    33  -0.07550 -1.0 2.0
   50    45    63    33   0.20000  1.0 3.0
   50    45    63    58   0.56750  1.0 1.0
   50    45    63    58  -0.07550 -1.0 2.0
   50    45    63    58   0.20000  1.0 3.0
   50    45    63    72   0.86500  1.0 1.0
   50    45    63    72  -0.17500 -1.0 2.0
   50    45    63    72   0.20800  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
   58    71    61    62  10.50000 -1.0 2.0
   56    67    60    64  15.00000 -1.0 2.0
   65    66    64    60  15.00000 -1.0 2.0
END
