* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    136    214     399
    1     0 S   NP   _N1_     1    28.27630    94.18973   -21.88588
    2     1 S   H    _HN1     2     1.02959    88.94497    20.48495
    3     1 S   H    _H1_     3     1.02835    28.12834   151.50528
    4     1 S   H    _H2_     4     1.02779    94.39148   -87.81890
    5     1 S   CT   _CA1     5     1.50126   138.54445   140.82583
    6     5 S   HC   _HA1     6     1.09576   105.21820    64.51224
    7     5 S   CO3  _C1_     7     1.53773   112.40213   -55.68152
    8     7 S   O2Z  _O11     8     1.26361   114.99690   -43.47894
    9     7 S   O2Z  _O12     9     1.26237   114.91688   135.65966
   10     5 S   CT   _CB1    10     1.53088   107.42114  -177.58670
   11    10 S   HC   HB11    11     1.09828   109.29105   -50.77155
   12    10 S   HC   HB12    12     1.09818   110.43054    65.76412
   13    10 S   CT   _CG1    13     1.53020   112.70477  -171.86651
   14    13 S   HC   HG11    14     1.09593   110.48376   -64.78640
   15    13 S   HC   HG12    15     1.09657   109.94169    54.44918
   16    13 S   C    _CD1    16     1.51825   112.29144   174.78061
   17    16 S   O    _OE1    17     1.22727   123.24563     0.07402
   18    16 S   N    _N2_    18     1.38624   111.67210  -179.69739
   19    18 S   H    _HN2    19     1.01581   119.04777     1.18167
   20    18 S   CT1  _CA2    20     1.46204   123.40231   179.22899
   21    20 S   HC   _HA2    21     1.09726   109.45914    -2.04746
   22    20 S   C    _C2_    22     1.53543   108.31898  -117.74573
   23    22 S   O    _O2_    23     1.23032   122.25491  -144.49742
   24    20 S   CT   _CB2    32     1.53442   111.62788   120.00786
   25    24 S   HC   HB21    33     1.09489   109.35805    57.63318
   26    24 S   HC   HB22    34     1.09434   109.48308   176.36606
   27    22 S   N    _N3_    24     1.38509   113.50790    42.69746
   28    27 S   H    _HN3    25     1.01490   118.98406    -0.29674
   29    24 S   S    _SG2    35     1.83294   111.55565   -63.53680
   30    27 S   CT   _CA3    26     1.45448   123.45198   175.46417
   31    30 S   HC   HA31    27     1.09522   109.30078    23.46511
   32    30 S   HC   HA32    28     1.09499   107.10497   140.46242
   33    29 S   CT   _C19    36     1.83776   101.89696   178.65230
   34    30 S   CO3  _C3_    29     1.52910   113.07169  -100.06839
   35    34 S   O2Z  _O31    30     1.26406   115.37676   -45.14476
   36    34 S   O2Z  _O32    31     1.26353   114.99684   135.80479
   37    33 S   CM   _C12    37     1.49938   112.59191    57.87438
   38    37 S   CMA  _C13    38     1.34577   112.63548  -113.95928
   39    38 S   OM   _O20    39     1.25726   132.94901  -175.29114
   40    37 S   CT   _C15    63     1.49795   118.27930    72.73735
   41    40 S   HC   _H29    64     1.09554   111.74648   173.27337
   42    40 S   HC   _H30    65     1.09611   109.63817   -68.64206
   43    38 S   N    _N19    40     1.40299   108.48781    -1.21515
   44    40 S   CT   _C16    66     1.53164   109.55423    52.03159
   45    44 S   HC   _H31    67     1.09782   109.27249    70.57949
   46    44 S   HC   _H32    68     1.09603   109.54379  -172.83128
   47    43 S   CA   _C8_    41     1.43363   128.87534   175.73841
   48    33 S   C    _C14    61     1.52174   109.86454   -53.74385
   49    48 S   O    _O21    62     1.22510   123.83932   -61.13933
   50    44 S   CT   _C17    69     1.53330   112.69532   -50.62107
   51    50 S   HC   _H33    70     1.09613   109.35885   174.65771
   52    50 S   HC   _H34    71     1.09637   109.35538   -68.97246
   53    47 S   CA   _C6_    42     1.40798   120.67561   -41.72572
   54    53 S   HA   _H27    43     1.08532   118.30739    -0.65671
   55    33 S   CT   _C18    72     1.53430   111.29640  -178.34637
   56    55 S   HC   _H35    73     1.09950   109.62997   164.31911
   57    55 S   HC   _H36    74     1.09760   111.09931    48.28115
   58    53 S   CA   _C9_    44     1.40220   121.44094  -178.38081
   59    58 S   CA   _C11    45     1.40222   118.73049    -0.54894
   60    59 S   Cl   CL25    46     1.72998   121.26656  -179.61948
   61    58 S   OS   _O22    51     1.37092   125.02368   179.67675
   62    59 S   CA   _C7_    47     1.39397   120.69749     0.43611
   63    62 S   HA   _H28    48     1.08637   121.11867  -179.31987
   64    61 S   CT   _C21    52     1.43384   119.71845    -6.15230
   65    64 S   HC   _H40    53     1.09624   111.02520   -41.55488
   66    47 S   CA   _C10    49     1.39955   121.23125   139.68437
   67    66 S   F    _F23    50     1.34167   120.80544    -4.98535
   68    64 S   CZ   _C5_    54     1.47268   110.77803    83.16375
   69    64 S   CT   _C20    57     1.52777   106.46048  -157.66238
   70    69 S   HC   _H37    58     1.09659   111.24500   -59.02489
   71    69 S   HC   _H38    59     1.09511   111.51623   179.95154
   72    69 S   HC   _H39    60     1.09568   110.35602    59.18275
   73    68 S   CZ   _C4_    55     1.20071   179.48795   -78.14292
   74    73 S   HC   _H26    56     1.06493   179.62310     8.54256
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  16  12   4  11   5   4  10   8   5   4  11   7
   1   5   4   3   9   4   2   1   1  10   7   4   9   3   2   8
   6   1   1   6   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    49    40    50    55    56    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    47    48    49    40    41    42    44    50    51    52    55    56    57  
   35    36  
   36  
    0  
   38    39    43    47    48    49    40    41    42    44    45    46    50    55    56    57  
   39    43    47    53    66    48    49    40    41    42    44    55  
   43    47    48    40  
   41    42    44    45    46    50    51    52    55    43    48  
   42    44    45    46    50  
   44    45    46    50  
   47    53    54    58    62    66    67    48    49    55  
   45    46    50    51    52    55    56    57  
   46    50    51    52    55  
   50    51    52    55  
   53    54    58    59    62    63    66    67    61    48    49  
   49    50    55    56    57    53    66  
   55  
   51    52    55    56    57  
   52    55    56    57  
   55    56    57  
   54    58    59    60    62    66    67    61    64  
   58    59    66    61  
   56    57  
   57  
    0  
   59    60    62    63    66    61    64    65    68    69  
   60    62    63    66    67    61    64  
   62    63    66    61  
   64    65    68    73    69    70    71    72    62  
   63    66    67  
   66    67  
   65    68    73    74    69    70    71    72  
   68    73    69    70    71    72  
   67  
    0  
   73    74    69    70    71    72  
   70    71    72    73  
   71    72  
   72  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.484200   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660  -0.120000   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   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  -0.120000   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   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   68   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   74   2.4200   0.0300   0.200000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    48   317.000  1.522
   33    55   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    43   400.000  1.384
   43    47   360.000  1.404
   43    48   490.000  1.335
   47    53   469.000  1.400
   47    66   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   469.000  1.400
   58    61   450.000  1.364
   59    60   300.000  1.725
   59    62   469.000  1.400
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   420.000  1.354
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    68   390.000  1.470
   64    69   268.000  1.529
   68    73   985.000  1.221
   73    74   410.000  1.067
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   48    49   570.000  1.229
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    48    70.00000  112.33000
   29    33    55    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    48    43    70.00000  116.60000
   33    48    49    80.00000  120.40000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   37    38    39    65.00000  137.10300
   37    38    43    75.00000  120.83300
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    44    70.00000  112.02700
   38    43    47    70.00000  119.74000
   38    43    48    70.00000  120.89900
   43    38    39   110.00000  107.01400
   43    47    53    70.00000  119.01900
   43    47    66    70.00000  119.01900
   43    48    49    80.00000  122.90000
   47    53    54    35.00000  120.00000
   47    53    58    63.00000  120.00000
   47    66    62    63.00000  120.00000
   47    66    67    80.00000  120.00000
   53    58    59    63.00000  120.00000
   53    58    61    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    59    60    75.00000  120.00000
   58    59    62    63.00000  120.00000
   58    61    64    75.00000  111.00000
   59    62    63    35.00000  120.00000
   59    62    66    63.00000  120.00000
   62    59    60    75.00000  120.00000
   62    66    67    80.00000  120.00000
   66    47    53    63.00000  120.00000
   66    62    63    35.00000  120.00000
   61    58    59    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    68    90.00000  109.17800
   61    64    69    50.00000  109.50000
   64    68    73    30.00000  179.48800
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   68    64    65    35.00000  108.50000
   68    73    74    20.00000  179.85100
   69    64    65    37.50000  110.70000
   69    64    68    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   48    33    37    70.00000  115.00700
   48    43    47    65.00000  121.96500
   40    37    38    70.00000  124.00000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   42    40    41    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    42    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   52    50    51    33.00000  107.80000
   55    33    37    70.00000  112.02700
   55    33    48    63.00000  111.10000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   57    55    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    48    43   0.00000  1.0 1.0
   29    33    48    49   0.30150 -1.0 2.0
   29    33    55    50   0.44750  1.0 1.0
   29    33    55    50  -0.17800 -1.0 2.0
   29    33    55    50   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37   -38    43   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    42   0.34800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   37    33   -48    43   0.00000  1.0 1.0
   37    33    48    49   0.30150 -1.0 2.0
   37    33    55    50   0.34400  1.0 1.0
   37    33    55    50   0.09450 -1.0 2.0
   37    33    55    50   0.11100  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    38    43    47  -0.94800  1.0 1.0
   37    38    43    47   2.88400 -1.0 2.0
   37    38   -43    48  -0.18900  1.0 1.0
   37    38   -43    48   1.70900 -1.0 2.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40   -44    50   0.34400  1.0 1.0
   37    40   -44    50   0.09450 -1.0 2.0
   37    40   -44    50   0.11100  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    43    47    53   0.70250  1.0 1.0
   38    43    47    53   1.56150 -1.0 2.0
   38    43    47    66   0.70250  1.0 1.0
   38    43    47    66   1.56150 -1.0 2.0
   38    43   -48    33   0.67100  1.0 1.0
   38    43   -48    33   1.42150 -1.0 2.0
   38    43   -48    33   0.18700  1.0 3.0
   38    43    48    49   2.67200 -1.0 2.0
   39    38    43    47   1.00000 -1.0 2.0
   39    38    43    48  -0.56400  1.0 1.0
   39    38    43    48   0.77500 -1.0 2.0
   39    38    43    48   0.18700  1.0 3.0
   43    47    53    54   3.62500 -1.0 2.0
   43    47    53    58   3.62500 -1.0 2.0
   43    47    66    62   3.62500 -1.0 2.0
   43    47    66    67   3.62500 -1.0 2.0
   47    43    48    33   0.76000  1.0 1.0
   47    43    48    33   4.11600 -1.0 2.0
   47    43    48    49   0.04000 -1.0 2.0
   47    53    58    59   3.62500 -1.0 2.0
   47    53    58    61   3.62500 -1.0 2.0
   53    47    66    62   3.62500 -1.0 2.0
   53    47    66    67   3.62500 -1.0 2.0
   53    58    59    60   3.62500 -1.0 2.0
   53    58   -59    62   3.62500 -1.0 2.0
   53    58    61    64   1.63200 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    61   3.62500 -1.0 2.0
   58    59    62    63   3.62500 -1.0 2.0
   58    59    62    66   3.62500 -1.0 2.0
   58    61    64    65   0.08050  1.0 3.0
   58    61    64    68  -0.25600  1.0 1.0
   58    61    64    68  -0.40050 -1.0 2.0
   58    61    64    68   0.34700  1.0 3.0
   58    61    64    69  -0.32850  1.0 1.0
   58    61    64    69  -0.35800 -1.0 2.0
   58    61    64    69   0.33950  1.0 3.0
   59    58    61    64   1.63200 -1.0 2.0
   59    62   -66    47   3.62500 -1.0 2.0
   59    62    66    67   3.62500 -1.0 2.0
   60    59    62    63   3.62500 -1.0 2.0
   60    59    62    66   3.62500 -1.0 2.0
   63    62    66    47   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   66    47    53    54   3.62500 -1.0 2.0
   66    47   -53    58   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    62   3.62500 -1.0 2.0
   61    64    68    73   0.00000  1.0 1.0
   61    64    69    70   0.23400  1.0 3.0
   61    64    69    71   0.23400  1.0 3.0
   61    64    69    72   0.23400  1.0 3.0
   64    68    73    74   0.00000  1.0 1.0
   65    64    68    73   0.00000  1.0 1.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   68    64    69    70   0.15000  1.0 3.0
   68    64    69    71   0.15000  1.0 3.0
   68    64    69    72   0.15000  1.0 3.0
   69    64    68    73   0.00000  1.0 1.0
   48    33   -37    38  -0.51250  1.0 1.0
   48    33   -37    38  -0.88800 -1.0 2.0
   48    33   -37    38   0.08850  1.0 3.0
   48    33    37    40   0.17250  1.0 1.0
   48    33    37    40  -0.04100 -1.0 2.0
   48    33    37    40  -0.33850  1.0 3.0
   48    33    55    50  -0.95700  1.0 1.0
   48    33    55    50  -0.18200 -1.0 2.0
   48    33    55    50   0.29450  1.0 3.0
   48    33    55    56  -0.11250  1.0 3.0
   48    33    55    57  -0.11250  1.0 3.0
   48    43    47    53   1.00100  1.0 1.0
   48    43    47    53   0.85050 -1.0 2.0
   48    43    47    66   1.00100  1.0 1.0
   48    43    47    66   0.85050 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    43   7.00000 -1.0 2.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    55   0.56750  1.0 1.0
   40    44    50    55  -0.07550 -1.0 2.0
   40    44    50    55   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   42    40    44    45   0.15000  1.0 3.0
   42    40    44    46   0.15000  1.0 3.0
   42    40    44    50   0.15000  1.0 3.0
   44    50   -55    33   0.56750  1.0 1.0
   44    50   -55    33  -0.07550 -1.0 2.0
   44    50   -55    33   0.20000  1.0 3.0
   44    50    55    56   0.15000  1.0 3.0
   44    50    55    57   0.15000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    55   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    55   0.15000  1.0 3.0
   51    50    55    33   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   52    50    55    33   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   55    33    37    38   0.09850  1.0 1.0
   55    33    37    38   0.15250 -1.0 2.0
   55    33    37    38  -0.50650  1.0 3.0
   55    33   -37    40   0.46850  1.0 1.0
   55    33   -37    40   0.08550 -1.0 2.0
   55    33   -37    40   0.09800  1.0 3.0
   55    33    48    43   1.39750  1.0 1.0
   55    33    48    43  -0.07950 -1.0 2.0
   55    33    48    43  -0.18750  1.0 3.0
   55    33    48    49   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   43    39    38    37   1.10000 -1.0 2.0
   47    48    43    38   1.00000 -1.0 2.0
   53    66    47    43   4.00000 -1.0 2.0
   58    54    53    47   1.10000 -1.0 2.0
   59    61    58    53   4.00000 -1.0 2.0
   62    60    59    58   4.00000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   62    67    66    47   4.00000 -1.0 2.0
   33    43    48    49  10.50000 -1.0 2.0
END
