* LIGAND DATABASE FILE (OPLS2005)
*
001      62    61    107    161     318
    1     0 S   NP   _N1_     1    29.15171    94.23261   -19.41944
    2     1 S   H    _HN1     2     1.02964    42.54836   118.84092
    3     1 S   H    _H1_     3     1.02800    71.85301   -95.02260
    4     1 S   H    _H2_     4     1.02855    97.80241    11.64772
    5     1 S   CT   _CA1     5     1.50526   146.44737   162.27454
    6     5 S   HC   _HA1     6     1.09691   104.60869    33.54429
    7     5 S   CO3  _C1_     7     1.54611   110.73227   -82.35157
    8     7 S   O2Z  _O11     8     1.26116   116.90415  -115.48607
    9     7 S   O2Z  _O12     9     1.26545   113.73959    63.04344
   10     5 S   CT   _CB1    10     1.53142   107.01134   149.51609
   11    10 S   HC   HB11    11     1.09822   110.19354   -41.74804
   12    10 S   HC   HB12    12     1.09784   110.09350    74.98987
   13    10 S   CT   _CG1    13     1.53085   112.19360  -162.37899
   14    13 S   HC   HG11    14     1.09323   110.19962   -49.90787
   15    13 S   HC   HG12    15     1.09612   110.18407    68.56834
   16    13 S   C    _CD1    16     1.51873   111.78682  -171.50673
   17    16 S   O    _OE1    17     1.22801   122.73683   -23.32379
   18    16 S   N    _N2_    18     1.38533   112.24098   157.38371
   19    18 S   H    _HN2    19     1.01933   119.13538     0.25256
   20    18 S   CT1  _CA2    20     1.46338   123.58929  -175.34629
   21    20 S   HC   _HA2    21     1.09728   109.25381   -10.02331
   22    20 S   C    _C2_    22     1.53355   108.98062  -126.00538
   23    22 S   O    _O2_    23     1.23040   122.11454  -148.95774
   24    20 S   CT   _CB2    32     1.53783   111.13532   111.60462
   25    24 S   HC   HB21    33     1.09171   109.22218    60.30252
   26    24 S   HC   HB22    34     1.09517   110.48926   178.29269
   27    22 S   N    _N3_    24     1.38478   113.52421    38.75212
   28    27 S   H    _HN3    25     1.01515   118.85290    -1.36027
   29    24 S   S    _SG2    35     1.83013   110.82850   -62.52687
   30    27 S   CT   _CA3    26     1.45433   123.41572   174.99786
   31    30 S   HC   HA31    27     1.09529   109.14747    25.94992
   32    30 S   HC   HA32    28     1.09495   107.13912   142.91306
   33    29 S   CT   _C12    36     1.88202   102.52530   149.35997
   34    30 S   CO3  _C3_    29     1.52934   113.21195   -97.48379
   35    34 S   O2Z  _O31    30     1.26401   115.45304   -44.22634
   36    34 S   O2Z  _O32    31     1.26372   114.97892   136.76058
   37    33 S   CT   _C6_    37     1.56609   111.58314   -59.96147
   38    37 S   HC   _H7_    38     1.09694   107.91779    73.94265
   39    37 S   HC   _H8_    39     1.09890   109.11686  -173.58870
   40    33 S   CM   _C7_    49     1.53214   105.70885    66.66553
   41    40 S   HC   _H9_    50     1.09207   113.46447    46.79321
   42    33 S   CT   _C11    57     1.54933   103.51927   179.63416
   43    42 S   HC   _H11    58     1.09884   111.71945   -62.99618
   44    42 S   HC   _H12    59     1.09667   111.62204    55.87015
   45    37 S   CT   _C4_    40     1.54195   118.51262   -49.46430
   46    45 S   HC   _H6_    41     1.09122   112.70311    27.99445
   47    40 S   CM   _C9_    51     1.34338   130.22879  -134.40551
   48    42 S   CO4  _C8_    60     1.51038   112.92351   177.49876
   49    48 S   O    _O4_    61     1.22780   122.73794  -113.84605
   50    48 S   HC   _H10    62     1.10299   116.29418    66.13046
   51    45 S   NP   _N4_    42     1.49567   110.62162   -89.40697
   52    51 S   H    _H3_    43     1.02923   110.39606   -74.04268
   53    51 S   H    _H4_    44     1.03344   109.44386   168.38226
   54    51 S   H    _H5_    45     1.02596   114.33569    47.97381
   55    45 S   CO3  _C5_    46     1.54371   107.28929   147.47864
   56    55 S   O2Z  _O1_    47     1.26356   115.18565   -84.62632
   57    55 S   O2Z  _O33    48     1.26413   115.04782    95.45837
   58    47 S   CO3  _C10    52     1.55471   121.59717  -179.60336
   59    58 S   O2Z  _O3_    53     1.26770   113.84299  -179.53818
   60    58 S   O2Z  _O5_    54     1.26246   116.87022     0.70276
   61    47 S   OH   _O6_    55     1.37898   122.97379    -0.69605
   62    61 S   HO   _H13    56     0.97613   106.25642   179.49720
  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  12   5   4   3
  18   2   1   1  18   7   6  12   4   7   4   3   8   7   5   2
   1   1   6   3   2   1   2   1   1   4   2   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    40    41    47    42    43    44    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    51    55    40    41    47    58    61    42    43    44    48    49    50  
   35    36  
   36  
    0  
   38    39    45    46    51    52    53    54    55    56    57    40    41    47    42    43    44    48  
   39    45    46    51    55    40    42  
   45    46    51    55    40    42  
   41    47    58    59    60    61    62    42    43    44    48    45  
   47    58    61    42  
   43    44    48    49    50    45    47  
   44    48    49    50  
   48    49    50  
   46    51    52    53    54    55    56    57  
   51    52    53    54    55    56    57  
   58    59    60    61    62  
   49    50  
   50  
    0  
   52    53    54    55    56    57  
   53    54    55  
   54    55  
   55  
   56    57  
   57  
    0  
   59    60    61    62  
   60    61  
   61  
   62  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   52   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   53   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   54   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   56   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   57   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   58   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   317.000  1.510
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    51   367.000  1.471
   45    55   317.000  1.522
   51    52   434.000  1.010
   51    53   434.000  1.010
   51    54   434.000  1.010
   55    56   656.000  1.250
   55    57   656.000  1.250
   40    41   340.000  1.080
   40    47   549.000  1.340
   47    58   230.000  1.545
   47    61   510.000  1.338
   58    59   656.000  1.250
   58    60   656.000  1.250
   61    62   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.522
   48    49   570.000  1.229
   48    50   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  111.63000
   29    33    40    75.00000  112.20000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    47    70.00000  124.00000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    48    63.00000  111.10000
   37    45    46    37.50000  110.70000
   37    45    51    80.00000  111.20000
   37    45    55    70.00000  109.69300
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    35.00000  109.50000
   45    55    56    70.00000  117.00000
   45    55    57    70.00000  117.00000
   51    45    46    35.00000  109.50000
   53    51    52    35.00000  109.50000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   55    45    46    35.00000  109.50000
   55    45    51    80.00000  109.26000
   57    55    56    80.00000  126.00000
   40    33    37    70.00000  112.02700
   40    47    58    55.00000  124.75400
   40    47    61    80.00000  121.38400
   47    40    41    35.00000  120.00000
   47    58    59    85.00000  113.83300
   47    58    60    85.00000  113.83300
   47    61    62    70.00000  107.45700
   60    58    59    80.00000  126.00000
   61    47    58    80.00000  119.00000
   42    33    37    58.35000  112.70000
   42    33    40    70.00000  112.02700
   42    48    49    80.00000  120.40000
   42    48    50    35.00000  115.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   50    48    49    35.00000  123.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    47   0.42700  1.0 1.0
   29    33    40    47  -0.70350 -1.0 2.0
   29    33    40    47  -0.43150  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    51   1.36600  1.0 1.0
   33    37    45    51  -0.11450 -1.0 2.0
   33    37    45    51   0.24250  1.0 3.0
   33    37    45    55  -1.63150  1.0 1.0
   33    37    45    55  -0.43550 -1.0 2.0
   33    37    45    55   0.24500  1.0 3.0
   33    40    47    58   7.00000 -1.0 2.0
   33    40    47    61   7.00000 -1.0 2.0
   33    42    48    49   0.30150 -1.0 2.0
   33    42    48    50   0.74550  1.0 1.0
   33    42    48    50  -0.00500 -1.0 2.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    47   0.09850  1.0 1.0
   37    33    40    47   0.15250 -1.0 2.0
   37    33    40    47  -0.50650  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    48  -0.95700  1.0 1.0
   37    33    42    48  -0.18200 -1.0 2.0
   37    33    42    48   0.29450  1.0 3.0
   37    45    51    52   0.17350  1.0 3.0
   37    45    51    53   0.17350  1.0 3.0
   37    45    51    54   0.17350  1.0 3.0
   37    45    55    56   0.41150 -1.0 2.0
   37    45    55    57   0.41150 -1.0 2.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    51   0.19200  1.0 3.0
   38    37    45    55  -0.11250  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    51   0.19200  1.0 3.0
   39    37    45    55  -0.11250  1.0 3.0
   46    45    51    52   0.13050  1.0 3.0
   46    45    51    53   0.13050  1.0 3.0
   46    45    51    54   0.13050  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    57   0.00000  1.0 1.0
   51    45    55    56   0.30150 -1.0 2.0
   51    45    55    57   0.30150 -1.0 2.0
   55    45    51    52   0.17350  1.0 3.0
   55    45    51    53   0.17350  1.0 3.0
   55    45    51    54   0.17350  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.34400  1.0 1.0
   40    33    37    45   0.09450 -1.0 2.0
   40    33    37    45   0.11100  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    48  -0.98800  1.0 1.0
   40    33    42    48   0.48800 -1.0 2.0
   40    33    42    48   0.76800  1.0 3.0
   40    47    58    59  -0.04000 -1.0 2.0
   40    47    58    59  -0.29050  1.0 3.0
   40    47    58    60  -0.04000 -1.0 2.0
   40    47    58    60  -0.29050  1.0 3.0
   40    47    61    62  -0.66100  1.0 1.0
   40    47    61    62   1.20850 -1.0 2.0
   40    47    61    62  -0.36000  1.0 3.0
   41    40    47    58   7.00000 -1.0 2.0
   41    40    47    61   7.00000 -1.0 2.0
   58    47    61    62   2.00000 -1.0 2.0
   61    47    58    59   1.68800 -1.0 2.0
   61    47    58    60   1.68800 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    40    41   0.00000  1.0 1.0
   42    33    40    47   0.09850  1.0 1.0
   42    33    40    47   0.15250 -1.0 2.0
   42    33    40    47  -0.50650  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    50   0.00000  1.0 1.0
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
   56    45    55    57  10.50000 -1.0 2.0
   33    41    40    47  15.00000 -1.0 2.0
   58    61    47    40  15.00000 -1.0 2.0
   59    47    58    60  10.50000 -1.0 2.0
   42    50    48    49  10.50000 -1.0 2.0
END
