* LIGAND DATABASE FILE (OPLS2005)
*
001      66    69    122    196     355
    1     0 S   NP   _N1_     1    28.99422    95.96499   -21.45781
    2     1 S   H    _HN1     2     1.02947    74.78756    16.37797
    3     1 S   H    _H1_     3     1.02827    39.84180   159.77085
    4     1 S   H    _H2_     4     1.02787    97.12138   -90.76923
    5     1 S   CT   _CA1     5     1.50149   145.63397   120.41462
    6     5 S   HC   _HA1     6     1.09583   105.12726    85.12304
    7     5 S   CO3  _C1_     7     1.53745   112.24207   -34.88741
    8     7 S   O2Z  _O11     8     1.26360   114.98507   -46.66499
    9     7 S   O2Z  _O12     9     1.26231   114.83505   131.97445
   10     5 S   CT   _CB1    10     1.53036   107.34708  -157.16524
   11    10 S   HC   HB11    11     1.09838   109.16520   -50.47988
   12    10 S   HC   HB12    12     1.09810   110.55240    66.05093
   13    10 S   CT   _CG1    13     1.53016   112.70619  -171.49063
   14    13 S   HC   HG11    14     1.09507   110.51061   -68.63234
   15    13 S   HC   HG12    15     1.09663   109.84866    50.62679
   16    13 S   C    _CD1    16     1.51845   112.00269   171.00494
   17    16 S   O    _OE1    17     1.22767   123.14715     9.34990
   18    16 S   N    _N2_    18     1.38658   111.89705  -170.51987
   19    18 S   H    _HN2    19     1.01567   119.00442     0.41117
   20    18 S   CT1  _CA2    20     1.46277   123.25059   176.74364
   21    20 S   HC   _HA2    21     1.09740   109.26926     2.12670
   22    20 S   C    _C2_    22     1.53532   108.68681  -113.26609
   23    22 S   O    _O2_    23     1.23059   122.27708  -148.97443
   24    20 S   CT   _CB2    32     1.53293   111.79704   124.07536
   25    24 S   HC   HB21    33     1.09452   110.24240    60.33533
   26    24 S   HC   HB22    34     1.09545   110.32242   178.09464
   27    22 S   N    _N3_    24     1.38328   113.70518    38.49169
   28    27 S   H    _HN3    25     1.01585   119.52975    -3.40479
   29    24 S   S    _SG2    35     1.82858   111.25744   -63.34257
   30    27 S   CT   _CA3    26     1.45278   123.26688   177.11846
   31    30 S   HC   HA31    27     1.09548   107.52363   -64.44077
   32    30 S   HC   HA32    28     1.09555   107.97810    52.00710
   33    29 S   CT   _C19    36     1.85928   100.55724   133.13746
   34    33 S   HC   _H3_    37     1.09852   106.13397    47.23330
   35    30 S   CO3  _C3_    29     1.52965   114.04928   174.00047
   36    35 S   O2Z  _O31    30     1.26379   116.06369    -0.36099
   37    35 S   O2Z  _O32    31     1.26422   114.41950   179.69739
   38    33 S   CM   _C16    38     1.51346   107.58613   -70.09364
   39    38 S   HC   _H27    39     1.08734   116.59449    82.67550
   40    33 S   CT   _C18    49     1.56863   109.16042   165.71977
   41    40 S   OM   _O18    50     1.32826   107.98546  -158.59289
   42    40 S   HC   _H28    51     1.10115   106.68439   -30.77375
   43    38 S   CM   _C17    40     1.34435   123.65350   -96.04291
   44    43 S   CR3  _C10    41     1.48126   118.87412    -0.57096
   45    43 S   CM   _C15    60     1.45167   121.35027   175.92633
   46    45 S   HC   _H26    61     1.08530   119.26093     7.83409
   47    44 S   CR3  _C9_    42     1.41754   117.55242   169.10774
   48    47 S   CA   _C8_    43     1.41195   118.71485  -176.98715
   49    48 S   CA   _C4_    44     1.40343   119.69179    -1.44902
   50    49 S   HA   _H21    45     1.08805   120.49873  -179.68348
   51    48 S   CA   _C5_    52     1.40030   119.26045   178.92316
   52    51 S   HA   _H22    53     1.08835   120.41529  -179.80021
   53    49 S   CA   _C6_    46     1.39539   120.90360    -0.72712
   54    53 S   HA   _H23    47     1.08719   119.28760  -178.41835
   55    51 S   CA   _C7_    54     1.39673   121.02002     0.53923
   56    55 S   HA   _H24    55     1.08562   117.55398   179.47810
   57    44 S   CA   _C12    48     1.40904   121.14658   -11.11285
   58    55 S   CA   _C13    56     1.39739   120.60811     0.30710
   59    47 S   CA   _C11    57     1.42304   121.74680     3.43439
   60    58 S   OS   _O19    62     1.37270   123.95252   178.76711
   61    59 S   CM   _C14    58     1.48185   118.50105     1.99694
   62    61 S   HC   _H25    59     1.08462   118.94040   177.02968
   63    60 S   CT   _C20    63     1.42204   117.30645    12.87486
   64    63 S   HC   _H30    64     1.09428   107.71738   172.54391
   65    63 S   HC   _H31    65     1.09515   111.45805    54.67170
   66    63 S   HC   _H32    66     1.09466   110.89245   -69.88930
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  11   7   2   1   1  11   4   9   4   3  10  12   7   3  13  12
   8   4   7   3   2   1   6   3   1   8   4   5   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    57    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    53    57    40    41    42    45  
   38    39    43    57    40    41    42  
   36    37  
   37  
    0  
   39    43    44    47    57    40    41    42    61    45    46  
   43    44    40    45  
   41    42    43    44    47    49    53    54    57  
   42    44    53    57  
   44    53    57  
   44    47    48    53    57    59    61    62    45    46  
   47    48    49    53    54    57    51    58    59    61    45    46  
   46    47    57    58    59    61    62  
   59    61    62  
   48    49    50    53    57    51    52    55    58    59    61    62    60  
   49    50    53    54    57    51    52    55    56    58    59    61  
   50    53    54    57    51    52    55    59  
   53    54    57    51  
   52    55    56    58    59    60    53  
   55    56    58  
   54    57  
   57  
   56    58    59    61    60    63  
   58    59    60  
   59  
   59    61    62    60    63    64    65    66  
   61    62    60    63  
   63    64    65    66    61  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   320.000  1.460
   43    45   380.000  1.444
   44    47   490.000  1.398
   44    57   490.000  1.398
   47    48   490.000  1.398
   47    59   490.000  1.398
   48    49   469.000  1.400
   48    51   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    40   317.000  1.510
   40    41   570.000  1.307
   40    42   340.000  1.090
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    61   320.000  1.460
   61    62   340.000  1.080
   61    45   549.000  1.340
   45    46   340.000  1.080
   60    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    57    70.00000  112.17500
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    60.00000  123.20500
   38    43    45    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    44    47    60.00000  120.93500
   43    44    57    60.00000  120.93500
   43    45    61    70.00000  123.01800
   43    45    46    35.00000  120.00000
   44    47    48    60.00000  130.80000
   44    47    59    60.00000  130.80000
   44    57    53    70.00000  112.88000
   44    57    40    80.00000  105.07000
   47    48    49    70.00000  112.88000
   47    48    51    70.00000  112.88000
   47    59    58    70.00000  112.88000
   47    59    61    60.00000  120.93500
   48    49    50    35.00000  120.00000
   48    49    53    63.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    57    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    57    40    70.00000  120.00000
   57    44    47    60.00000  130.80000
   57    53    54    35.00000  120.00000
   57    40    41    85.00000  111.85700
   57    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   42    40    41    45.00000  125.66300
   51    48    49    63.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    58    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    58    59    63.00000  120.00000
   55    58    60    70.00000  120.00000
   58    55    56    35.00000  120.00000
   58    59    61    60.00000  120.93500
   58    60    63    75.00000  111.00000
   59    47    48    60.00000  130.80000
   59    61    62    40.00000  117.26300
   59    61    45    60.00000  123.20500
   61    45    46    35.00000  120.00000
   45    43    44    60.00000  123.20500
   45    61    62    35.00000  120.00000
   60    58    59    70.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    57   0.56750  1.0 1.0
   29    33    40    57  -0.07550 -1.0 2.0
   29    33    40    57   0.20000  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    57   0.43200  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    57   0.21200  1.0 1.0
   38    33    40    57   0.16900 -1.0 2.0
   38    33    40    57  -1.15100  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    44    47   0.15800  1.0 1.0
   38    43    44    47   1.85350 -1.0 2.0
   38    43    44    47  -0.48700  1.0 3.0
   38    43   -44    57   0.15800  1.0 1.0
   38    43   -44    57   1.85350 -1.0 2.0
   38    43   -44    57  -0.48700  1.0 3.0
   38    43    45    61   0.28850  1.0 1.0
   38    43    45    61   2.61350 -1.0 2.0
   38    43    45    61   0.78400  1.0 3.0
   38    43    45    46  -0.18600  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    45   7.00000 -1.0 2.0
   43    44    47    48   3.62500 -1.0 2.0
   43    44    47    59   3.62500 -1.0 2.0
   43    44    57    53   3.62500 -1.0 2.0
   43    44    57    40   3.62500 -1.0 2.0
   44    43    45    61  -0.18600  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    47    48    49   3.62500 -1.0 2.0
   44    47    48    51   3.62500 -1.0 2.0
   44    47    59    58   3.62500 -1.0 2.0
   44    47   -59    61   3.62500 -1.0 2.0
   44    57   -40    33   0.04150 -1.0 2.0
   44    57    40    41   0.64500  1.0 1.0
   44    57    40    41   0.14800 -1.0 2.0
   44    57    40    41   0.20650  1.0 3.0
   44    57    40    42   0.00000  1.0 1.0
   47    44    57    53   3.62500 -1.0 2.0
   47    44    57    40   3.62500 -1.0 2.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48   -49    53   3.62500 -1.0 2.0
   47    48    51    52   3.62500 -1.0 2.0
   47    48    51    55   3.62500 -1.0 2.0
   47    59    61    62   0.56550  1.0 3.0
   47    59    61    45   0.15800  1.0 1.0
   47    59    61    45   1.85350 -1.0 2.0
   47    59    61    45  -0.48700  1.0 3.0
   48    47    59    58   3.62500 -1.0 2.0
   48    47    59    61   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    53    57   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51   -55    58   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    55   3.62500 -1.0 2.0
   49    53   -57    44   3.62500 -1.0 2.0
   49    53    57    40   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57    40    33   0.04150 -1.0 2.0
   53    57    40    41   0.64500  1.0 1.0
   53    57    40    41   0.14800 -1.0 2.0
   53    57    40    41   0.20650  1.0 3.0
   53    57    40    42   0.00000  1.0 1.0
   54    53    57    44   3.62500 -1.0 2.0
   54    53    57    40   3.62500 -1.0 2.0
   57    44   -47    48   3.62500 -1.0 2.0
   57    44    47    59   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    43   0.09850  1.0 1.0
   40    33   -38    43   0.15250 -1.0 2.0
   40    33   -38    43  -0.50650  1.0 3.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    53   3.62500 -1.0 2.0
   51    55    58    59   3.62500 -1.0 2.0
   51    55    58    60   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   55    58   -59    47   3.62500 -1.0 2.0
   55    58    59    61   3.62500 -1.0 2.0
   55    58    60    63   1.63200 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    60   3.62500 -1.0 2.0
   58    59    61    62   0.56550  1.0 3.0
   58    59    61    45   0.15800  1.0 1.0
   58    59    61    45   1.85350 -1.0 2.0
   58    59    61    45  -0.48700  1.0 3.0
   58    60    63    64   0.08050  1.0 3.0
   58    60    63    65   0.08050  1.0 3.0
   58    60    63    66   0.08050  1.0 3.0
   59    47    48    49   3.62500 -1.0 2.0
   59    47   -48    51   3.62500 -1.0 2.0
   59    58    60    63   1.63200 -1.0 2.0
   59    61   -45    43   7.00000 -1.0 2.0
   59    61    45    46   7.00000 -1.0 2.0
   62    61    45    43   7.00000 -1.0 2.0
   62    61    45    46   7.00000 -1.0 2.0
   45    43   -44    47   0.15800  1.0 1.0
   45    43   -44    47   1.85350 -1.0 2.0
   45    43   -44    47  -0.48700  1.0 3.0
   45    43    44    57   0.15800  1.0 1.0
   45    43    44    57   1.85350 -1.0 2.0
   45    43    44    57  -0.48700  1.0 3.0
   60    58    59    47   3.62500 -1.0 2.0
   60    58    59    61   3.62500 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
   47    57    44    43   4.00000 -1.0 2.0
   48    59    47    44   4.00000 -1.0 2.0
   49    51    48    47   4.00000 -1.0 2.0
   53    50    49    48   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
   53    40    57    44   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   59    60    58    55   4.00000 -1.0 2.0
   58    61    59    47   4.00000 -1.0 2.0
   59    62    61    45   1.10000 -1.0 2.0
   43    46    45    61   1.10000 -1.0 2.0
END
