* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    125    193     367
    1     0 S   NP   _N1_     1    28.88135    95.49441   -20.38960
    2     1 S   H    _HN1     2     1.02959    86.57565    28.70799
    3     1 S   H    _H1_     3     1.02837    38.06917   152.20181
    4     1 S   H    _H2_     4     1.02778    84.99520   -80.05507
    5     1 S   CT   _CA1     5     1.50128   148.80131   153.81028
    6     5 S   HC   _HA1     6     1.09570   105.22435    58.06669
    7     5 S   CO3  _C1_     7     1.53768   112.42893   -62.15551
    8     7 S   O2Z  _O11     8     1.26366   115.00274   -41.91720
    9     7 S   O2Z  _O12     9     1.26236   114.95069   137.35653
   10     5 S   CT   _CB1    10     1.53101   107.43017   176.04171
   11    10 S   HC   HB11    11     1.09822   109.33149   -49.98747
   12    10 S   HC   HB12    12     1.09824   110.39873    66.57586
   13    10 S   CT   _CG1    13     1.53013   112.72693  -171.09283
   14    13 S   HC   HG11    14     1.09575   110.42786   -63.86936
   15    13 S   HC   HG12    15     1.09647   110.02555    55.35908
   16    13 S   C    _CD1    16     1.51824   112.30306   175.65220
   17    16 S   O    _OE1    17     1.22720   123.25600    -3.60581
   18    16 S   N    _N2_    18     1.38624   111.64715   176.58407
   19    18 S   H    _HN2    19     1.01593   118.98419     1.06973
   20    18 S   CT1  _CA2    20     1.46289   123.41994  -179.18195
   21    20 S   HC   _HA2    21     1.09733   109.36744   -13.31442
   22    20 S   C    _C2_    22     1.53420   108.31191  -129.00259
   23    22 S   O    _O2_    23     1.23008   122.22115  -145.91519
   24    20 S   CT   _CB2    32     1.53438   111.33221   108.82435
   25    24 S   HC   HB21    33     1.09572   109.56335    54.88027
   26    24 S   HC   HB22    34     1.09480   110.63452   173.69531
   27    22 S   N    _N3_    24     1.38497   113.34389    41.41327
   28    27 S   H    _HN3    25     1.01534   118.90993    -0.77632
   29    24 S   S    _SG2    35     1.82796   111.54195   -66.68742
   30    27 S   CT   _CA3    26     1.45469   123.59661   175.15079
   31    30 S   HC   HA31    27     1.09510   109.41771    20.44277
   32    30 S   HC   HA32    28     1.09499   107.07073   137.48488
   33    29 S   CT   _C6_    36     1.84726    99.88831   152.81449
   34    33 S   HC   _H4_    37     1.09373   107.56694   -42.90237
   35    30 S   CO3  _C3_    29     1.52921   113.01891  -103.15719
   36    35 S   O2Z  _O31    30     1.26412   115.37710   -44.51255
   37    35 S   O2Z  _O32    31     1.26350   114.99425   136.38537
   38    33 S   CA   _C7_    38     1.52437   108.90042  -161.31209
   39    38 S   CA   _C12    39     1.41944   118.93668   -88.56115
   40    39 S   CA   _C11    40     1.40694   121.01040  -178.32042
   41    39 S   CO4  _C13    60     1.48295   117.49247     4.76255
   42    41 S   O    _O33    61     1.22101   123.24695   148.68901
   43    40 S   CA   _C10    41     1.39545   118.99861    -1.19305
   44    40 S   CO4  _C15    57     1.48372   121.37082   175.52005
   45    44 S   O    _O35    58     1.22426   123.15594   152.03903
   46    44 S   HC   _H9_    59     1.10174   116.62784   -28.17529
   47    41 S   CO4  _C14    62     1.50547   119.02387   -29.86366
   48    47 S   O    _O34    63     1.22327   118.66599  -164.76035
   49    43 S   CA   _C9_    42     1.39551   120.58477    -0.72009
   50    49 S   HA   _H8_    43     1.08737   118.63620   179.35472
   51    43 S   OH   _O36    55     1.36892   120.49484   177.81788
   52    51 S   HO   _H10    56     0.97206   109.35201   178.72221
   53    33 S   CT   _C5_    64     1.53928   111.74154    73.50263
   54    53 S   HC   _H3_    65     1.09710   109.54749   -47.15703
   55    38 S   CA   _C8_    44     1.42095   121.71142    89.67567
   56    53 S   CT   _C4_    66     1.53099   112.18033  -166.13199
   57    56 S   HC   _H5_    67     1.09509   112.15230   -63.13014
   58    56 S   HC   _H6_    68     1.09581   110.57593   177.40943
   59    56 S   HC   _H7_    69     1.09494   110.80905    57.90749
   60    55 S   CT   _C16    45     1.52845   122.71758    -0.34092
   61    60 S   HC   _H11    46     1.09364   109.64646   -21.59858
   62    60 S   CT   _C17    47     1.53477   113.87669  -137.90281
   63    62 S   HC   _H12    48     1.09456   112.57532   -68.98673
   64    62 S   HC   _H13    49     1.09563   110.11151   171.68391
   65    62 S   HC   _H14    50     1.09557   110.94308    52.44983
   66    60 S   CT   _C18    51     1.53025   110.28933    97.14033
   67    66 S   HC   _H15    52     1.09578   111.59748    63.25951
   68    66 S   HC   _H16    53     1.09568   111.11873   -56.90102
   69    66 S   HC   _H17    54     1.09530   110.70628  -176.61158
  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
  16   7   2   1   1  17  14  12   9   3   9   4   1   1   7   3
   8   3   2   1   6   4  10   3   2   1   1   9   8   7   3   2
   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    55    47    53    54    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    49    55    60    41    47    48    53    54    56    57    58    59  
   38    39    55    47    53    54    56  
   36    37  
   37  
    0  
   39    40    43    49    50    55    60    61    62    66    44    41    42    47    53    54    56  
   40    43    49    55    60    51    44    45    46    41    42    47    48    53  
   43    49    50    55    51    52    44    45    46    41    42    47  
   42    47    48    53    54    56    43    44    55  
   47    48    53  
   49    50    55    60    51    52    44    45    46  
   45    46    49    51  
   46  
    0  
   48    53    54    56    57    58    59  
   53    54    56  
   50    55    60    61    62    66    51    52  
   55    60    51  
   52    55  
    0  
   54    56    57    58    59    55  
   56    57    58    59  
   60    61    62    63    64    65    66    67    68    69  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    53   268.000  1.529
   38    39   469.000  1.400
   38    55   469.000  1.400
   39    40   469.000  1.400
   39    41   310.000  1.470
   40    43   469.000  1.400
   40    44   310.000  1.470
   43    49   469.000  1.400
   43    51   450.000  1.364
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    60   317.000  1.510
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   51    52   553.000  0.945
   44    45   570.000  1.229
   44    46   340.000  1.090
   41    42   570.000  1.229
   41    47   250.000  1.523
   47    48   570.000  1.229
   47    53   317.000  1.522
   53    54   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    80.00000  109.48900
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    53    47    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    56    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    63.00000  120.00000
   38    39    41    60.00000  119.52600
   38    55    49    63.00000  120.00000
   38    55    60    70.00000  120.00000
   39    40    43    63.00000  120.00000
   39    40    44    60.00000  119.52600
   39    41    42    75.00000  123.78400
   39    41    47    60.00000  117.28700
   40    43    49    63.00000  120.00000
   40    43    51    70.00000  120.00000
   40    44    45    75.00000  123.78400
   40    44    46    35.00000  115.00000
   43    49    50    35.00000  120.00000
   43    49    55    63.00000  120.00000
   43    51    52    35.00000  113.00000
   49    55    60    70.00000  120.00000
   55    38    39    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    70.00000  112.17500
   55    60    66    70.00000  112.17500
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    65    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   62    60    61    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   51    43    49    70.00000  120.00000
   44    40    43    60.00000  119.52600
   46    44    45    35.00000  123.00000
   41    39    40    60.00000  119.52600
   41    47    48    80.00000  119.30300
   41    47    53    65.00000  115.45000
   47    41    42    80.00000  119.30300
   47    53    54    35.00000  109.50000
   47    53    56    63.00000  111.10000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.17500
   53    47    48    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   56    53    54    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    53    47   0.56750  1.0 1.0
   29    33    53    47  -0.07550 -1.0 2.0
   29    33    53    47   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    56   0.44750  1.0 1.0
   29    33    53    56  -0.17800 -1.0 2.0
   29    33    53    56   0.20200  1.0 3.0
   33    38    39    40   3.62500 -1.0 2.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    55    49   3.62500 -1.0 2.0
   33    38    55    60   3.62500 -1.0 2.0
   33    53    56    57   0.15000  1.0 3.0
   33    53    56    58   0.15000  1.0 3.0
   33    53    56    59   0.15000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    53    47  -0.11250  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    56   0.15000  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    54   0.43200  1.0 3.0
   38    33    53    56  -0.03700  1.0 1.0
   38    33    53    56   0.37200 -1.0 2.0
   38    33    53    56  -0.47300  1.0 3.0
   38    39    40    43   3.62500 -1.0 2.0
   38    39    40    44   3.62500 -1.0 2.0
   38    39    41    42   1.05000 -1.0 2.0
   38    39   -41    47   0.56600 -1.0 2.0
   38    55    60    61   0.00000  1.0 1.0
   38    55    60    62   0.04150 -1.0 2.0
   38    55    60    66   0.04150 -1.0 2.0
   39    38    55    49   3.62500 -1.0 2.0
   39    38    55    60   3.62500 -1.0 2.0
   39    40   -43    49   3.62500 -1.0 2.0
   39    40    43    51   3.62500 -1.0 2.0
   39    40    44    45   1.05000 -1.0 2.0
   39    40    44    46   0.56600 -1.0 2.0
   39    41    47    48   0.03000  1.0 1.0
   39    41    47    48   0.58800 -1.0 2.0
   39    41    47    48   0.15550  1.0 3.0
   39    41    47    53   0.43900  1.0 1.0
   39    41    47    53  -0.18150 -1.0 2.0
   39    41    47    53  -0.03650  1.0 3.0
   40    39    41    42   1.05000 -1.0 2.0
   40    39    41    47   0.56600 -1.0 2.0
   40    43    49    50   3.62500 -1.0 2.0
   40    43    49    55   3.62500 -1.0 2.0
   40    43    51    52   0.84100 -1.0 2.0
   43    40    44    45   1.05000 -1.0 2.0
   43    40    44    46   0.56600 -1.0 2.0
   43    49   -55    38   3.62500 -1.0 2.0
   43    49    55    60   3.62500 -1.0 2.0
   49    43    51    52   0.84100 -1.0 2.0
   49    55    60    61   0.00000  1.0 1.0
   49    55    60    62   0.04150 -1.0 2.0
   49    55    60    66   0.04150 -1.0 2.0
   50    49    55    38   3.62500 -1.0 2.0
   50    49    55    60   3.62500 -1.0 2.0
   55    38   -39    40   3.62500 -1.0 2.0
   55    38    39    41   3.62500 -1.0 2.0
   55    60    62    63   0.43200  1.0 3.0
   55    60    62    64   0.43200  1.0 3.0
   55    60    62    65   0.43200  1.0 3.0
   55    60    66    67   0.43200  1.0 3.0
   55    60    66    68   0.43200  1.0 3.0
   55    60    66    69   0.43200  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   66    60    62    63   0.15000  1.0 3.0
   66    60    62    64   0.15000  1.0 3.0
   66    60    62    65   0.15000  1.0 3.0
   51    43    49    50   3.62500 -1.0 2.0
   51    43    49    55   3.62500 -1.0 2.0
   44    40    43    49   3.62500 -1.0 2.0
   44    40    43    51   3.62500 -1.0 2.0
   41    39    40    43   3.62500 -1.0 2.0
   41    39    40    44   3.62500 -1.0 2.0
   41    47   -53    33   0.65300  1.0 1.0
   41    47   -53    33  -0.03850 -1.0 2.0
   41    47   -53    33   0.33900  1.0 3.0
   41    47    53    54   0.00000  1.0 1.0
   41    47    53    56   0.65300  1.0 1.0
   41    47    53    56  -0.03850 -1.0 2.0
   41    47    53    56   0.33900  1.0 3.0
   42    41    47    48   0.06100 -1.0 2.0
   42    41    47    53   0.49600 -1.0 2.0
   47    53    56    57  -0.11250  1.0 3.0
   47    53    56    58  -0.11250  1.0 3.0
   47    53    56    59  -0.11250  1.0 3.0
   48    47    53    33   0.30150 -1.0 2.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    56   0.30150 -1.0 2.0
   53    33   -38    39   0.04150 -1.0 2.0
   53    33    38    55   0.04150 -1.0 2.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   39    55    38    33   4.00000 -1.0 2.0
   40    41    39    38   4.00000 -1.0 2.0
   43    44    40    39   4.00000 -1.0 2.0
   49    51    43    40   4.00000 -1.0 2.0
   55    50    49    43   1.10000 -1.0 2.0
   49    60    55    38   4.00000 -1.0 2.0
   40    46    44    45  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   41    53    47    48  10.50000 -1.0 2.0
END
