* LIGAND DATABASE FILE (OPLS2005)
*
001      59    61    116    194     346
    1     0 S   NP   _N1_     1    28.79693    94.20064   -20.92264
    2     1 S   H    _HN1     2     1.02964    94.14489    31.94861
    3     1 S   H    _H1_     3     1.02831    29.09962   150.17385
    4     1 S   H    _H2_     4     1.02770    88.25556   -76.32708
    5     1 S   CT   _CA1     5     1.50134   139.52396   160.41861
    6     5 S   HC   _HA1     6     1.09571   105.23715    53.78726
    7     5 S   CO3  _C1_     7     1.53844   112.37771   -66.39992
    8     7 S   O2Z  _O11     8     1.26356   114.99507   -41.85436
    9     7 S   O2Z  _O12     9     1.26239   114.94177   137.24699
   10     5 S   CT   _CB1    10     1.53092   107.39809   171.73172
   11    10 S   HC   HB11    11     1.09817   109.42796   -50.06626
   12    10 S   HC   HB12    12     1.09817   110.34051    66.49498
   13    10 S   CT   _CG1    13     1.52985   112.67061  -171.19335
   14    13 S   HC   HG11    14     1.09483   110.21350   -61.03757
   15    13 S   HC   HG12    15     1.09629   110.15031    58.03707
   16    13 S   C    _CD1    16     1.51804   112.25948   178.28137
   17    16 S   O    _OE1    17     1.22740   123.15788   -10.65446
   18    16 S   N    _N2_    18     1.38631   111.77222   169.97509
   19    18 S   H    _HN2    19     1.01608   118.99883     0.39860
   20    18 S   CT1  _CA2    20     1.46203   123.38720  -178.31437
   21    20 S   HC   _HA2    21     1.09735   109.23696   -15.08300
   22    20 S   C    _C2_    22     1.53377   108.33166  -130.80504
   23    22 S   O    _O2_    23     1.23013   122.22967  -145.81768
   24    20 S   CT   _CB2    32     1.53527   111.69461   106.93489
   25    24 S   HC   HB21    33     1.09467   110.06017    57.71288
   26    24 S   HC   HB22    34     1.09537   110.19574   176.26079
   27    22 S   N    _N3_    24     1.38503   113.35456    41.51452
   28    27 S   H    _HN3    25     1.01532   118.91846    -0.56924
   29    24 S   S    _SG2    35     1.82681   111.79957   -64.26794
   30    27 S   CT   _CA3    26     1.45447   123.42337   175.13852
   31    30 S   HC   HA31    27     1.09526   109.19502    25.01411
   32    30 S   HC   HA32    28     1.09494   107.12581   142.01414
   33    29 S   CT   _C8_    36     1.82453    99.89951   169.66205
   34    33 S   HC   _H3_    37     1.09972   104.26047    39.92669
   35    30 S   CO3  _C3_    29     1.52932   113.17291   -98.43441
   36    35 S   O2Z  _O31    30     1.26399   115.44061   -43.58533
   37    35 S   O2Z  _O32    31     1.26361   114.96227   137.36441
   38    33 S   CT   _C6_    38     1.54162   116.75011   -77.11567
   39    38 S   HC   _H21    39     1.09978   105.98995    93.29770
   40    38 S   CT   _C7_    40     1.56756   105.55756  -151.81622
   41    40 S   HC   _H22    41     1.09847   108.35740  -113.27258
   42    40 S   CT   _C9_    42     1.54075   107.83213     5.22033
   43    42 S   Cl   CL15    43     1.80714   107.85783  -108.48839
   44    42 S   HC   _H24    44     1.09366   112.40571   136.52083
   45    40 S   CT   _C11    49     1.56582   102.87573   132.63704
   46    45 S   Cl   CL17    50     1.75325   113.40988   162.06615
   47    33 S   CT   _C12    45     1.55203   115.49762   154.82414
   48    47 S   Cl   CL18    46     1.78823   115.50951    37.89990
   49    45 S   CM   _C5_    51     1.51250   109.88309   -65.45856
   50    49 S   Cl   CL14    52     1.69504   124.36537  -114.44490
   51    47 S   OH   _O33    47     1.42413   109.42149   -79.94540
   52    51 S   HO   _H25    48     0.97277   106.43461    72.88812
   53    49 S   CM   _C4_    53     1.33991   107.57012    69.19317
   54    53 S   Cl   CL13    54     1.69504   127.92725   175.77200
   55    38 S   CT   _C10    55     1.57380   125.91972   -33.54268
   56    55 S   Cl   CL16    56     1.75384   114.99650    80.69961
   57    45 S   CT   _C13    57     1.56448   101.47366    37.87924
   58    57 S   Cl   CL19    58     1.79665   115.12112    60.44442
   59    57 S   Cl   CL20    59     1.80823   114.52701  -176.65461
  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  19   9  17   9  11   5   4  11   7   4   2
   8   4   1   1   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    47    48    51    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    51    52    45    53    55    56    57  
   38    39    40    42    47    48    51    55  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    48    51    45    46    49    53    54    55    56    57    58    59  
   40    41    42    47    45    53    55    56    57  
   41    42    43    44    47    48    51    45    46    49    50    53    55    56    57    58    59  
   42    43    44    47    45    46    49    55    57  
   43    44    47    48    51    52    45    46    49    55    57  
   44    47    48    51    45  
   47    48    51    45  
   46    49    50    53    54    55    56    57    58    59    47  
   49    50    53    55    57    58    59  
   48    51    52    55  
   51    52  
   50    53    54    55    56    57    58    59  
   53    54    55    57  
   52  
    0  
   54    55    56    57    58    59  
   55    56    57  
   56    57    58    59  
   57    58    59  
   58    59  
   59  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   44   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   3.5000   0.0660   0.465000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   49   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   57   3.5000   0.0660   0.271600   1.9750   1.7500   0.005000000  -0.741685710
   58   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   59   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
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    47   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    55   268.000  1.529
   40    41   340.000  1.090
   40    42   268.000  1.529
   40    45   268.000  1.529
   42    43   245.000  1.781
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   245.000  1.781
   47    51   320.000  1.410
   51    52   553.000  0.945
   45    46   245.000  1.781
   45    49   317.000  1.510
   45    57   268.000  1.529
   49    50   300.000  1.725
   49    53   549.000  1.340
   53    54   300.000  1.725
   53    55   317.000  1.510
   55    56   245.000  1.781
   55    57   268.000  1.529
   57    58   245.000  1.781
   57    59   245.000  1.781
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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    55    58.35000  112.70000
   33    47    42    58.35000  112.70000
   33    47    48    69.00000  109.80000
   33    47    51    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    58.35000  112.70000
   38    40    45    58.35000  112.70000
   38    55    53    70.00000  112.02700
   38    55    56    69.00000  109.80000
   38    55    57    58.35000  112.70000
   40    38    39    37.50000  110.70000
   40    42    43    69.00000  109.80000
   40    42    44    37.50000  110.70000
   40    42    47    58.35000  112.70000
   40    45    46    69.00000  109.80000
   40    45    49    70.00000  112.02700
   40    45    57    58.35000  112.70000
   42    40    41    37.50000  110.70000
   42    47    48    69.00000  109.80000
   42    47    51    50.00000  109.50000
   44    42    43    51.00000  107.60000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    42    43    69.00000  109.80000
   47    42    44    37.50000  110.70000
   47    51    52    55.00000  108.50000
   51    47    48    95.00000  108.90000
   45    40    41    37.50000  110.70000
   45    40    42    58.35000  112.70000
   45    49    50    75.00000  111.02000
   45    49    53    70.00000  124.00000
   45    57    55    58.35000  112.70000
   45    57    58    69.00000  109.80000
   45    57    59    69.00000  109.80000
   49    45    46    75.00000  111.90500
   49    53    54    75.00000  121.50000
   49    53    55    70.00000  124.00000
   53    49    50    75.00000  121.50000
   53    55    56    75.00000  111.90500
   53    55    57    70.00000  112.02700
   55    38    39    37.50000  110.70000
   55    38    40    58.35000  112.70000
   55    53    54    75.00000  111.02000
   55    57    58    69.00000  109.80000
   55    57    59    69.00000  109.80000
   57    45    46    69.00000  109.80000
   57    45    49    70.00000  112.02700
   57    55    56    69.00000  109.80000
   59    57    58    80.00000  110.42200
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    55   0.44750  1.0 1.0
   29    33    38    55  -0.17800 -1.0 2.0
   29    33    38    55   0.20200  1.0 3.0
   29    33    47    42   0.44750  1.0 1.0
   29    33    47    42  -0.17800 -1.0 2.0
   29    33    47    42   0.20200  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    51   0.56750  1.0 1.0
   29    33    47    51  -0.07550 -1.0 2.0
   29    33    47    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    42   0.56750  1.0 1.0
   33    38   -40    42  -0.07550 -1.0 2.0
   33    38   -40    42   0.20000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    55    53   0.34400  1.0 1.0
   33    38    55    53   0.09450 -1.0 2.0
   33    38    55    53   0.11100  1.0 3.0
   33    38    55    56   0.35600  1.0 1.0
   33    38    55    56  -0.14650 -1.0 2.0
   33    38    55    56   0.33350  1.0 3.0
   33    38    55    57   0.56750  1.0 1.0
   33    38    55    57  -0.07550 -1.0 2.0
   33    38    55    57   0.20000  1.0 3.0
   33    47    51    52  -0.11600  1.0 1.0
   33    47    51    52  -0.09450 -1.0 2.0
   33    47    51    52   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    55   0.15000  1.0 3.0
   34    33    47    42   0.15000  1.0 3.0
   34    33    47    48   0.27000  1.0 3.0
   34    33    47    51   0.23400  1.0 3.0
   38    33   -47    42   0.56750  1.0 1.0
   38    33   -47    42  -0.07550 -1.0 2.0
   38    33   -47    42   0.20000  1.0 3.0
   38    33    47    48   0.35600  1.0 1.0
   38    33    47    48  -0.14650 -1.0 2.0
   38    33    47    48   0.33350  1.0 3.0
   38    33    47    51   0.86500  1.0 1.0
   38    33    47    51  -0.17500 -1.0 2.0
   38    33    47    51   0.20800  1.0 3.0
   38    40    42    43   0.35600  1.0 1.0
   38    40    42    43  -0.14650 -1.0 2.0
   38    40    42    43   0.33350  1.0 3.0
   38    40    42    44   0.15000  1.0 3.0
   38    40   -42    47   0.56750  1.0 1.0
   38    40   -42    47  -0.07550 -1.0 2.0
   38    40   -42    47   0.20000  1.0 3.0
   38    40    45    46   0.35600  1.0 1.0
   38    40    45    46  -0.14650 -1.0 2.0
   38    40    45    46   0.33350  1.0 3.0
   38    40    45    49   0.34400  1.0 1.0
   38    40    45    49   0.09450 -1.0 2.0
   38    40    45    49   0.11100  1.0 3.0
   38    40   -45    57   0.56750  1.0 1.0
   38    40   -45    57  -0.07550 -1.0 2.0
   38    40   -45    57   0.20000  1.0 3.0
   38    55   -57    45   0.56750  1.0 1.0
   38    55   -57    45  -0.07550 -1.0 2.0
   38    55   -57    45   0.20000  1.0 3.0
   38    55    57    58   0.35600  1.0 1.0
   38    55    57    58  -0.14650 -1.0 2.0
   38    55    57    58   0.33350  1.0 3.0
   38    55    57    59   0.35600  1.0 1.0
   38    55    57    59  -0.14650 -1.0 2.0
   38    55    57    59   0.33350  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    55    53   0.15000  1.0 3.0
   39    38    55    56   0.27000  1.0 3.0
   39    38    55    57   0.15000  1.0 3.0
   40    38    55    53   0.34400  1.0 1.0
   40    38    55    53   0.09450 -1.0 2.0
   40    38    55    53   0.11100  1.0 3.0
   40    38    55    56   0.35600  1.0 1.0
   40    38    55    56  -0.14650 -1.0 2.0
   40    38    55    56   0.33350  1.0 3.0
   40    38   -55    57   0.56750  1.0 1.0
   40    38   -55    57  -0.07550 -1.0 2.0
   40    38   -55    57   0.20000  1.0 3.0
   40    42   -47    33   0.56750  1.0 1.0
   40    42   -47    33  -0.07550 -1.0 2.0
   40    42   -47    33   0.20000  1.0 3.0
   40    42    47    48   0.35600  1.0 1.0
   40    42    47    48  -0.14650 -1.0 2.0
   40    42    47    48   0.33350  1.0 3.0
   40    42    47    51   0.86500  1.0 1.0
   40    42    47    51  -0.17500 -1.0 2.0
   40    42    47    51   0.20800  1.0 3.0
   40    45    49    50   0.09700  1.0 1.0
   40    45    49    50   0.15600 -1.0 2.0
   40    45    49    50  -0.50800  1.0 3.0
   40    45   -49    53   0.09850  1.0 1.0
   40    45   -49    53   0.15250 -1.0 2.0
   40    45   -49    53  -0.50650  1.0 3.0
   40    45   -57    55   0.56750  1.0 1.0
   40    45   -57    55  -0.07550 -1.0 2.0
   40    45   -57    55   0.20000  1.0 3.0
   40    45    57    58   0.35600  1.0 1.0
   40    45    57    58  -0.14650 -1.0 2.0
   40    45    57    58   0.33350  1.0 3.0
   40    45    57    59   0.35600  1.0 1.0
   40    45    57    59  -0.14650 -1.0 2.0
   40    45    57    59   0.33350  1.0 3.0
   41    40    42    43   0.27000  1.0 3.0
   41    40    42    44   0.15000  1.0 3.0
   41    40    42    47   0.15000  1.0 3.0
   41    40    45    46   0.27000  1.0 3.0
   41    40    45    49   0.15000  1.0 3.0
   41    40    45    57   0.15000  1.0 3.0
   42    40    45    46   0.35600  1.0 1.0
   42    40    45    46  -0.14650 -1.0 2.0
   42    40    45    46   0.33350  1.0 3.0
   42    40    45    49   0.34400  1.0 1.0
   42    40    45    49   0.09450 -1.0 2.0
   42    40    45    49   0.11100  1.0 3.0
   42    40    45    57   0.56750  1.0 1.0
   42    40    45    57  -0.07550 -1.0 2.0
   42    40    45    57   0.20000  1.0 3.0
   42    47    51    52  -0.11600  1.0 1.0
   42    47    51    52  -0.09450 -1.0 2.0
   42    47    51    52   0.21250  1.0 3.0
   43    42    47    33   0.35600  1.0 1.0
   43    42    47    33  -0.14650 -1.0 2.0
   43    42    47    33   0.33350  1.0 3.0
   43    42    47    48   0.22500  1.0 1.0
   43    42    47    51   0.56750  1.0 1.0
   43    42    47    51  -0.07550 -1.0 2.0
   43    42    47    51   0.20000  1.0 3.0
   44    42    47    33   0.15000  1.0 3.0
   44    42    47    48   0.27000  1.0 3.0
   44    42    47    51   0.23400  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40   0.56750  1.0 1.0
   47    33   -38    40  -0.07550 -1.0 2.0
   47    33   -38    40   0.20000  1.0 3.0
   47    33    38    55   0.56750  1.0 1.0
   47    33    38    55  -0.07550 -1.0 2.0
   47    33    38    55   0.20000  1.0 3.0
   48    47    51    52   0.35600  1.0 1.0
   48    47    51    52  -0.10750 -1.0 2.0
   48    47    51    52  -0.54400  1.0 3.0
   45    40    42    43   0.35600  1.0 1.0
   45    40    42    43  -0.14650 -1.0 2.0
   45    40    42    43   0.33350  1.0 3.0
   45    40    42    44   0.15000  1.0 3.0
   45    40    42    47   0.56750  1.0 1.0
   45    40    42    47  -0.07550 -1.0 2.0
   45    40    42    47   0.20000  1.0 3.0
   45    49    53    54   7.00000 -1.0 2.0
   45    49   -53    55   7.00000 -1.0 2.0
   46    45    49    50   0.09700  1.0 1.0
   46    45    49    50   0.15600 -1.0 2.0
   46    45    49    50  -0.50800  1.0 3.0
   46    45    49    53   0.09700  1.0 1.0
   46    45    49    53   0.15600 -1.0 2.0
   46    45    49    53  -0.50800  1.0 3.0
   46    45    57    55   0.35600  1.0 1.0
   46    45    57    55  -0.14650 -1.0 2.0
   46    45    57    55   0.33350  1.0 3.0
   46    45    57    58   0.22500  1.0 1.0
   46    45    57    59   0.22500  1.0 1.0
   49    45   -57    55   0.34400  1.0 1.0
   49    45   -57    55   0.09450 -1.0 2.0
   49    45   -57    55   0.11100  1.0 3.0
   49    45    57    58   0.56750  1.0 1.0
   49    45    57    58  -0.07550 -1.0 2.0
   49    45    57    58   0.20000  1.0 3.0
   49    45    57    59   0.56750  1.0 1.0
   49    45    57    59  -0.07550 -1.0 2.0
   49    45    57    59   0.20000  1.0 3.0
   49    53   -55    38   0.09850  1.0 1.0
   49    53   -55    38   0.15250 -1.0 2.0
   49    53   -55    38  -0.50650  1.0 3.0
   49    53    55    56   0.09700  1.0 1.0
   49    53    55    56   0.15600 -1.0 2.0
   49    53    55    56  -0.50800  1.0 3.0
   49    53   -55    57   0.09850  1.0 1.0
   49    53   -55    57   0.15250 -1.0 2.0
   49    53   -55    57  -0.50650  1.0 3.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    55   7.00000 -1.0 2.0
   53    55   -57    45   0.34400  1.0 1.0
   53    55   -57    45   0.09450 -1.0 2.0
   53    55   -57    45   0.11100  1.0 3.0
   53    55    57    58   0.56750  1.0 1.0
   53    55    57    58  -0.07550 -1.0 2.0
   53    55    57    58   0.20000  1.0 3.0
   53    55    57    59   0.56750  1.0 1.0
   53    55    57    59  -0.07550 -1.0 2.0
   53    55    57    59   0.20000  1.0 3.0
   54    53    55    38   0.09700  1.0 1.0
   54    53    55    38   0.15600 -1.0 2.0
   54    53    55    38  -0.50800  1.0 3.0
   54    53    55    56   0.09700  1.0 1.0
   54    53    55    56   0.15600 -1.0 2.0
   54    53    55    56  -0.50800  1.0 3.0
   54    53    55    57   0.09700  1.0 1.0
   54    53    55    57   0.15600 -1.0 2.0
   54    53    55    57  -0.50800  1.0 3.0
   55    38    40    41   0.15000  1.0 3.0
   55    38    40    42   0.56750  1.0 1.0
   55    38    40    42  -0.07550 -1.0 2.0
   55    38    40    42   0.20000  1.0 3.0
   55    38   -40    45   0.56750  1.0 1.0
   55    38   -40    45  -0.07550 -1.0 2.0
   55    38   -40    45   0.20000  1.0 3.0
   56    55    57    45   0.35600  1.0 1.0
   56    55    57    45  -0.14650 -1.0 2.0
   56    55    57    45   0.33350  1.0 3.0
   56    55    57    58   0.22500  1.0 1.0
   56    55    57    59   0.22500  1.0 1.0
   57    45    49    50   0.09700  1.0 1.0
   57    45    49    50   0.15600 -1.0 2.0
   57    45    49    50  -0.50800  1.0 3.0
   57    45   -49    53   0.09850  1.0 1.0
   57    45   -49    53   0.15250 -1.0 2.0
   57    45   -49    53  -0.50650  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   45    50    49    53   1.10000 -1.0 2.0
   55    54    53    49   1.10000 -1.0 2.0
END
