* LIGAND DATABASE FILE (OPLS2005)
*
001      65    67    119    187     346
    1     0 S   NP   _N1_     1    28.78502    93.99101   -20.89716
    2     1 S   H    _HN1     2     1.02833    29.90651   134.33806
    3     1 S   H    _H1_     3     1.02774    87.49144   -91.77507
    4     1 S   H    _H2_     4     1.02956    94.05303    16.42101
    5     1 S   CT   _CA1     5     1.50102   140.26838   145.62414
    6     5 S   HC   _HA1     6     1.09575   105.27272    53.32858
    7     5 S   CO3  _C1_     7     1.53873   112.19833   -66.90460
    8     7 S   O2Z  _O11     8     1.26362   115.01389   -47.68528
    9     7 S   O2Z  _O12     9     1.26207   114.93066   131.33158
   10     5 S   CT   _CB1    10     1.53110   107.40411   171.21703
   11    10 S   HC   HB11    11     1.09817   109.60723   -50.52358
   12    10 S   HC   HB12    12     1.09816   110.34612    66.14074
   13    10 S   CT   _CG1    13     1.52920   112.43539  -171.56092
   14    13 S   HC   HG11    14     1.09526   110.11874   -60.59315
   15    13 S   HC   HG12    15     1.09628   110.08003    58.60006
   16    13 S   C    _CD1    16     1.51769   112.47994   179.49332
   17    16 S   O    _OE1    17     1.22723   123.25731    -1.60657
   18    16 S   N    _N2_    18     1.38622   111.59160   177.89550
   19    18 S   H    _HN2    19     1.01751   118.91735     3.94248
   20    18 S   CT1  _CA2    20     1.46251   123.47736  -176.13837
   21    20 S   HC   _HA2    21     1.09722   109.34970   -12.85501
   22    20 S   C    _C2_    22     1.53411   108.60758  -128.74998
   23    22 S   O    _O2_    23     1.23031   122.12714  -148.21279
   24    20 S   CT   _CB2    32     1.53613   111.20451   109.13763
   25    24 S   HC   HB21    33     1.09361   109.10379    56.62067
   26    24 S   HC   HB22    34     1.09502   110.67974   175.13595
   27    22 S   N    _N3_    24     1.38467   113.47161    39.27105
   28    27 S   H    _HN3    25     1.01527   118.88248    -1.18663
   29    24 S   S    _SG2    35     1.82794   111.52137   -65.18674
   30    27 S   CT   _CA3    26     1.45435   123.51245   175.12215
   31    30 S   HC   HA31    27     1.09521   109.27566    23.55988
   32    30 S   HC   HA32    28     1.09497   107.11390   140.56216
   33    29 S   CT   _C13    36     1.82811   100.60107   165.65691
   34    33 S   HC   _H10    37     1.09468   109.31395    54.17911
   35    33 S   HC   _H11    38     1.09549   105.62729   169.74395
   36    30 S   CO3  _C3_    29     1.52918   113.08140   -99.94561
   37    36 S   O2Z  _O31    30     1.26407   115.40597   -44.77860
   38    36 S   O2Z  _O32    31     1.26359   114.99445   136.14158
   39    33 S   CT   _C12    39     1.52707   113.17196   -70.44089
   40    39 S   HC   _H5_    40     1.09589   109.98203    64.06366
   41    39 S   CT   _C11    41     1.52207   113.10487  -173.70811
   42    41 S   HC   _H4_    42     1.09656   111.47808    42.17592
   43    41 S   CT   _C10    43     1.51166   101.16287   159.61068
   44    43 S   HC   _H8_    44     1.09781   110.54887    80.89101
   45    43 S   HC   _H9_    45     1.09465   112.94865  -159.64226
   46    41 S   OH   _O35    64     1.41194   111.66839   -80.68110
   47    46 S   HO   _H12    65     0.97266   107.60072  -173.35492
   48    43 S   CO   _C9_    46     1.52134   101.86567   -38.48408
   49    48 S   HC   _H3_    47     1.09633   111.24753   -89.98070
   50    48 S   N*   _N7_    48     1.44961   113.65775   148.36307
   51    39 S   OS   _O34    63     1.43939   111.23442   -55.88021
   52    50 S   CRA  _C4_    49     1.37876   124.48193    85.64229
   53    52 S   HA   _H6_    50     1.08186   122.17591     1.96084
   54    52 S   N5B  _N4_    51     1.32077   112.39547  -177.61452
   55    54 S   C5B  _C5_    52     1.36589   104.08572    -0.29674
   56    50 S   C5A  _C8_    53     1.35882   129.66403   -91.85514
   57    56 S   N    _N6_    54     1.36174   130.55446    -2.39228
   58    57 S   H    _H7_    55     1.01228   121.30228    -1.88720
   59    57 S   C    _C7_    56     1.40028   117.12856   179.64392
   60    59 S   O    _O33    57     1.23352   118.63811   179.36265
   61    59 S   NI   _N5_    58     1.39781   120.12772    -0.43879
   62    55 S   CDX  _C6_    59     1.43564   130.34565   179.63684
   63    62 S   NE   _N8_    60     1.36330   113.61486     0.27554
   64    63 S   H    _H13    61     1.01477   121.85622     1.46126
   65    63 S   H    _H14    62     1.01317   120.62001   179.05044
  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   7   5   4   3
  10   5   4   2   1   1  12   6  10   7  10   6   5   3   1   9
   4  10   2   6   3   6   9   7   5   3   4   2   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    48    51    46  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    49    50    51    46    47  
   41    42    43    48    51    46  
   42    43    44    45    48    49    50    51    46    47  
   43    44    45    48    51    46    47  
   44    45    48    49    50    52    56    51    46    47  
   45    48    49    50    51    46  
   48    49    50    51    46  
   47    48    51  
    0  
   49    50    52    53    54    55    56    57    51  
   50    52    56    51  
   52    53    54    55    56    57    58    59    62    51  
   52    56  
   53    54    55    56    57    62  
   54    55    56  
   55    56    57    61    62    63  
   56    57    58    59    61    62    63    64    65  
   57    58    59    60    61    62    63  
   58    59    60    61    62  
   59    60    61  
   60    61    62    63  
   61    62  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   51   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   54   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5500   0.0700   0.375000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.014000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.2500   0.1700  -0.498700   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.467500   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.222500   1.5250   1.4250   0.001000000  -1.480495490
   61   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   62   3.7500   0.1050   0.219000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.2500   0.1700  -0.795000   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.410000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   250.000  1.527
   48    49   340.000  1.090
   48    50   275.000  1.479
   48    51   320.000  1.380
   50    52   477.000  1.343
   50    56   427.000  1.381
   52    53   367.000  1.080
   52    54   488.000  1.335
   54    55   410.000  1.394
   55    56   520.000  1.370
   55    62   325.000  1.468
   56    57   490.000  1.346
   57    58   434.000  1.010
   57    59   490.000  1.335
   59    60   570.000  1.229
   59    61   415.000  1.368
   61    62   650.000  1.285
   62    63   445.000  1.380
   63    64   434.000  1.010
   63    65   434.000  1.010
   46    47   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    51    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    51    48    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    75.00000  109.43000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    45.00000  112.01100
   43    48    50    75.00000  107.44000
   43    48    51    90.00000  108.56700
   45    43    44    33.00000  107.80000
   48    43    44    45.00000  108.72000
   48    43    45    45.00000  108.72000
   48    50    52    60.00000  127.66100
   48    50    56    65.00000  127.50000
   50    48    49    55.00000  103.44000
   50    52    53    35.00000  120.00000
   50    52    54    70.00000  120.00000
   50    56    55    70.00000  106.30000
   50    56    57    75.00000  118.00000
   52    54    55    70.00000  110.00000
   54    52    53    35.00000  120.00000
   54    55    56    70.00000  111.00000
   54    55    62    65.00000  123.22000
   55    56    57    65.00000  130.52000
   55    62    61    75.00000  114.44000
   55    62    63    80.00000  113.18000
   56    50    52    70.00000  109.80000
   56    57    58    45.00000  118.23600
   56    57    59    65.00000  122.00000
   57    59    60    80.00000  122.90000
   57    59    61    90.00000  112.94000
   59    57    58    35.00000  119.80000
   59    61    62    75.00000  109.13600
   61    59    60    80.00000  126.08800
   61    62    63    75.00000  124.36500
   62    55    56    55.00000  126.30000
   62    63    64    35.00000  119.50000
   62    63    65    35.00000  119.50000
   65    63    64    35.00000  109.00000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    48    49    35.00000  109.50000
   51    48    50   105.00000  106.22000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    51    48   0.06250  1.0 1.0
   33    39    51    48  -0.01100 -1.0 2.0
   33    39    51    48   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    48   3.97050  1.0 1.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    51    48   0.37050  1.0 3.0
   41    39   -51    48   0.06250  1.0 1.0
   41    39   -51    48  -0.01100 -1.0 2.0
   41    39   -51    48   0.28050  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50  -0.64600  1.0 1.0
   41    43    48    50   0.58400 -1.0 2.0
   41    43   -48    51   0.62750  1.0 1.0
   41    43   -48    51  -0.30950 -1.0 2.0
   41    43   -48    51   0.27300  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48    50    52   1.10250  1.0 1.0
   43    48    50    52   0.01650 -1.0 2.0
   43    48    50    52   0.39100  1.0 3.0
   43    48    50    56   1.10250  1.0 1.0
   43    48    50    56   0.01650 -1.0 2.0
   43    48    50    56   0.39100  1.0 3.0
   43    48   -51    39   0.06250  1.0 1.0
   43    48   -51    39  -0.01100 -1.0 2.0
   43    48   -51    39   0.28050  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    51   0.23400  1.0 3.0
   48    50    52    53   3.62500 -1.0 2.0
   48    50    52    54   3.62500 -1.0 2.0
   48    50    56    55   0.81400  1.0 1.0
   48    50    56    55   1.55550 -1.0 2.0
   48    50    56    57   3.62500 -1.0 2.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    56   0.00000  1.0 1.0
   49    48    51    39   0.37050  1.0 3.0
   50    48    51    39  -2.37750  1.0 1.0
   50    48    51    39  -0.08150 -1.0 2.0
   50    48    51    39   0.59000  1.0 3.0
   50    52   -54    55   5.00000 -1.0 2.0
   50    56    57    58   0.96250 -1.0 2.0
   50    56    57    59   0.96250 -1.0 2.0
   52    50   -56    55   1.40000 -1.0 2.0
   52    50    56    57   3.62500 -1.0 2.0
   52    54   -55    56   2.40000 -1.0 2.0
   52    54    55    62   3.62500 -1.0 2.0
   53    52    54    55   5.00000 -1.0 2.0
   54    55   -56    50   5.37500 -1.0 2.0
   54    55    56    57   3.62500 -1.0 2.0
   54    55    62    61   1.02250 -1.0 2.0
   54    55    62    63   1.31050  1.0 1.0
   54    55    62    63  -0.19050 -1.0 2.0
   55    56    57    58   0.97800 -1.0 2.0
   55    56    57    59   1.00100  1.0 1.0
   55    56    57    59   0.85050 -1.0 2.0
   55    62    63    64   1.00000 -1.0 2.0
   55    62    63    65   1.00000 -1.0 2.0
   56    50    52    53   2.32500 -1.0 2.0
   56    50   -52    54   2.32500 -1.0 2.0
   56    55    62    61   1.02250 -1.0 2.0
   56    55    62    63   0.49800 -1.0 2.0
   56    55    62    63  -0.50900 -1.0 4.0
   56    57    59    60   0.04000 -1.0 2.0
   56    57   -59    61   2.00000 -1.0 2.0
   57    59    61    62  -5.73250  1.0 1.0
   57    59    61    62   0.67550 -1.0 2.0
   58    57    59    60   2.45000 -1.0 2.0
   58    57    59    61   2.56700 -1.0 2.0
   59    61   -62    55   6.00000 -1.0 2.0
   59    61    62    63   6.00000 -1.0 2.0
   60    59    61    62   3.09300 -1.0 2.0
   61    62    63    64   1.50000 -1.0 2.0
   61    62    63    65   1.50000 -1.0 2.0
   62    55    56    50   3.62500 -1.0 2.0
   62    55   -56    57   3.62500 -1.0 2.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    46   3.69350  1.0 1.0
   51    39    41    46  -1.82950 -1.0 2.0
   51    48    50    52   0.10350  1.0 1.0
   51    48    50    52  -0.15350 -1.0 2.0
   51    48    50    56   0.10350  1.0 1.0
   51    48    50    56  -0.15350 -1.0 2.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  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
   37    30    36    38  10.50000 -1.0 2.0
   52    56    50    48   4.00000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   56    62    55    54   4.00000 -1.0 2.0
   55    57    56    50   4.00000 -1.0 2.0
   58    59    57    56   1.00000 -1.0 2.0
   57    61    59    60  10.50000 -1.0 2.0
   63    55    62    61  10.50000 -1.0 2.0
   65    62    63    64   1.00000 -1.0 2.0
END
