* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    116    174     342
    1     0 S   NP   _N1_     1    28.76005    93.49584   -22.49424
    2     1 S   H    _HN1     2     1.02961    91.52082    10.44203
    3     1 S   H    _H1_     3     1.02840    23.63871   142.59331
    4     1 S   H    _H2_     4     1.02781    97.09241   -98.23886
    5     1 S   CT   _CA1     5     1.50134   134.03413   131.14977
    6     5 S   HC   _HA1     6     1.09576   105.22782    64.09591
    7     5 S   CO3  _C1_     7     1.53785   112.29008   -56.10968
    8     7 S   O2Z  _O11     8     1.26362   114.98686   -45.49991
    9     7 S   O2Z  _O12     9     1.26224   114.89475   133.50836
   10     5 S   CT   _CB1    10     1.53077   107.42331  -178.02018
   11    10 S   HC   HB11    11     1.09827   109.34490   -50.60333
   12    10 S   HC   HB12    12     1.09821   110.42671    65.94870
   13    10 S   CT   _CG1    13     1.53017   112.67208  -171.68719
   14    13 S   HC   HG11    14     1.09580   110.43940   -63.36683
   15    13 S   HC   HG12    15     1.09650   109.99688    55.82728
   16    13 S   C    _CD1    16     1.51831   112.22662   176.12010
   17    16 S   O    _OE1    17     1.22736   123.23942    -2.30155
   18    16 S   N    _N2_    18     1.38605   111.71682   177.89346
   19    18 S   H    _HN2    19     1.01615   119.05355     0.54393
   20    18 S   CT1  _CA2    20     1.46243   123.38407  -179.82641
   21    20 S   HC   _HA2    21     1.09734   109.34427    -9.03231
   22    20 S   C    _C2_    22     1.53466   108.65214  -124.62926
   23    22 S   O    _O2_    23     1.23030   122.14974  -148.23570
   24    20 S   CT   _CB2    32     1.53225   111.34478   112.95993
   25    24 S   HC   HB21    33     1.09514   110.10740    56.04795
   26    24 S   HC   HB22    34     1.09519   110.88034   174.31418
   27    22 S   N    _N3_    24     1.38486   113.49339    39.34808
   28    27 S   H    _HN3    25     1.01515   118.89279    -1.05220
   29    24 S   S    _SG2    35     1.82347   111.88425   -66.15638
   30    27 S   CT   _CA3    26     1.45460   123.59127   175.00358
   31    30 S   HC   HA31    27     1.09512   109.40465    21.05857
   32    30 S   HC   HA32    28     1.09499   107.08143   138.09369
   33    29 S   OS   _O34    36     1.66759    98.83717   151.32633
   34    30 S   CO3  _C3_    29     1.52917   112.99958  -102.53145
   35    34 S   O2Z  _O31    30     1.26410   115.36266   -45.10349
   36    34 S   O2Z  _O32    31     1.26347   115.00804   135.79579
   37    33 S   CT   _C9_    37     1.44372   118.23752  -111.65303
   38    37 S   CM   _C5_    38     1.51374   104.98600   179.84298
   39    38 S   HC   _H15    39     1.08769   117.29670    42.99478
   40    37 S   CT   _C10    60     1.53995   110.42933   -65.01415
   41    40 S   HC   _H20    61     1.09563   111.45439    71.41776
   42    40 S   HC   _H21    62     1.09681   110.96953   -47.19760
   43    40 S   HC   _H22    63     1.09560   112.20061  -168.20744
   44    38 S   CM   _C4_    40     1.34279   124.45426  -136.67108
   45    44 S   HC   _H14    41     1.08972   117.71387   179.03025
   46    44 S   CT   _C8_    42     1.51822   124.71542    -2.65240
   47    46 S   OM   _O33    43     1.32530   105.35411   110.25706
   48    46 S   CT   _C6_    44     1.55512   111.45239    -7.35068
   49    48 S   HC   _H16    45     1.09626   110.35184   -84.14312
   50    48 S   HC   _H17    46     1.09978   111.56733   158.92553
   51    46 S   CT   _C13    50     1.57713   110.85770  -132.78327
   52    51 S   HC   _H29    51     1.10199   108.72858   -63.71293
   53    37 S   CT   _C7_    47     1.54663   111.69667    60.44988
   54    53 S   HC   _H18    48     1.09727   110.07843    39.10223
   55    53 S   HC   _H19    49     1.09686   110.27122   -76.99032
   56    51 S   CT   _C11    52     1.54069   113.26082    53.73902
   57    56 S   HC   _H23    53     1.09392   112.02489    62.96468
   58    56 S   HC   _H24    54     1.09409   111.73719   -58.72511
   59    56 S   HC   _H25    55     1.09602   110.32719  -177.44503
   60    51 S   CT   _C12    56     1.54170   113.88188   177.69437
   61    60 S   HC   _H26    57     1.09479   111.69582   -65.22361
   62    60 S   HC   _H27    58     1.09592   110.33111   175.36633
   63    60 S   HC   _H28    59     1.09442   111.75758    56.32020
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  12   2   1   1  15  14   5   8   3   2   1  11   4  17   8   9
   5   4  10   8   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    53    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    48    53    54    55    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    48    49    50    53    54    55    40    41    42    43  
   39    44    45    46    47    48    53    54    55    51    40    41    42    43  
   44    45    46    53    40  
   41    42    43    44    48    53    54    55  
   42    43    53  
   43    53  
   53  
   45    46    47    48    49    50    53    51    52    56    60  
   46    47    48    51  
   47    48    49    50    53    54    55    51    52    56    57    58    59    60    61    62    63  
   48    49    50    53    51    52    56    60  
   49    50    53    54    55    51    52    56    60  
   50    53    54    55    51  
   53    54    55    51  
   52    56    57    58    59    60    61    62    63    53  
   56    57    58    59    60    61    62    63  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60  
   61    62    63  
   62    63  
   63  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   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    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   655.000  1.490
   33    37   320.000  1.410
   37    38   317.000  1.510
   37    53   268.000  1.529
   37    40   268.000  1.529
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   570.000  1.307
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    85.00000  110.90400
   33    37    53    50.00000  109.50000
   33    37    40    50.00000  109.50000
   37    38    39    35.00000  117.00000
   37    38    44    70.00000  124.00000
   37    53    48    58.35000  112.70000
   37    53    54    37.50000  110.70000
   37    53    55    37.50000  110.70000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    43    37.50000  110.70000
   38    44    45    35.00000  120.00000
   38    44    46    70.00000  124.00000
   44    38    39    35.00000  120.00000
   44    46    47    85.00000  110.90400
   44    46    48    70.00000  112.02700
   44    46    51    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    53    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    56    58.35000  112.70000
   46    51    60    58.35000  112.70000
   48    46    47    50.00000  109.50000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   50    48    49    33.00000  107.80000
   53    37    38    70.00000  112.02700
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   55    53    54    33.00000  107.80000
   51    46    47    50.00000  109.50000
   51    46    48    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   56    51    52    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
   60    51    52    37.50000  110.70000
   60    51    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   40    37    38    70.00000  112.02700
   40    37    53    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    53   0.37500  1.0 3.0
   29    33    37    40   0.37500  1.0 3.0
   33    37    38    39   0.00000  1.0 1.0
   33    37    38    44   0.39000  1.0 1.0
   33    37    38    44  -0.05800 -1.0 2.0
   33    37    38    44  -0.55150  1.0 3.0
   33    37    53    48   0.62750  1.0 1.0
   33    37    53    48  -0.30950 -1.0 2.0
   33    37    53    48   0.27300  1.0 3.0
   33    37    53    54   0.23400  1.0 3.0
   33    37    53    55   0.23400  1.0 3.0
   33    37    40    41   0.23400  1.0 3.0
   33    37    40    42   0.23400  1.0 3.0
   33    37    40    43   0.23400  1.0 3.0
   37    38    44    45   7.00000 -1.0 2.0
   37    38    44    46   7.00000 -1.0 2.0
   38    37    53    48   0.34400  1.0 1.0
   38    37    53    48   0.09450 -1.0 2.0
   38    37    53    48   0.11100  1.0 3.0
   38    37    53    54   0.15000  1.0 3.0
   38    37    53    55   0.15000  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42   0.15000  1.0 3.0
   38    37    40    43   0.15000  1.0 3.0
   38    44    46    47   0.39000  1.0 1.0
   38    44    46    47  -0.05800 -1.0 2.0
   38    44    46    47  -0.55150  1.0 3.0
   38    44   -46    48   0.09850  1.0 1.0
   38    44   -46    48   0.15250 -1.0 2.0
   38    44   -46    48  -0.50650  1.0 3.0
   38    44    46    51   0.09850  1.0 1.0
   38    44    46    51   0.15250 -1.0 2.0
   38    44    46    51  -0.50650  1.0 3.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -1.0 2.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    53   0.34400  1.0 1.0
   44    46    48    53   0.09450 -1.0 2.0
   44    46    48    53   0.11100  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    56   0.34400  1.0 1.0
   44    46    51    56   0.09450 -1.0 2.0
   44    46    51    56   0.11100  1.0 3.0
   44    46    51    60   0.34400  1.0 1.0
   44    46    51    60   0.09450 -1.0 2.0
   44    46    51    60   0.11100  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    46    51   0.00000  1.0 1.0
   46    48   -53    37   0.56750  1.0 1.0
   46    48   -53    37  -0.07550 -1.0 2.0
   46    48   -53    37   0.20000  1.0 3.0
   46    48    53    54   0.15000  1.0 3.0
   46    48    53    55   0.15000  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    58   0.15000  1.0 3.0
   46    51    56    59   0.15000  1.0 3.0
   46    51    60    61   0.15000  1.0 3.0
   46    51    60    62   0.15000  1.0 3.0
   46    51    60    63   0.15000  1.0 3.0
   47    46    48    49   0.23400  1.0 3.0
   47    46    48    50   0.23400  1.0 3.0
   47    46    48    53   0.62750  1.0 1.0
   47    46    48    53  -0.30950 -1.0 2.0
   47    46    48    53   0.27300  1.0 3.0
   47    46    51    52   0.23400  1.0 3.0
   47    46    51    56   0.62750  1.0 1.0
   47    46    51    56  -0.30950 -1.0 2.0
   47    46    51    56   0.27300  1.0 3.0
   47    46    51    60   0.62750  1.0 1.0
   47    46    51    60  -0.30950 -1.0 2.0
   47    46    51    60   0.27300  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    56   0.56750  1.0 1.0
   48    46    51    56  -0.07550 -1.0 2.0
   48    46    51    56   0.20000  1.0 3.0
   48    46    51    60   0.56750  1.0 1.0
   48    46    51    60  -0.07550 -1.0 2.0
   48    46    51    60   0.20000  1.0 3.0
   49    48    53    37   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   50    48    53    37   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   53    37    38    39   0.00000  1.0 1.0
   53    37   -38    44   0.09850  1.0 1.0
   53    37   -38    44   0.15250 -1.0 2.0
   53    37   -38    44  -0.50650  1.0 3.0
   53    37    40    41   0.15000  1.0 3.0
   53    37    40    42   0.15000  1.0 3.0
   53    37    40    43   0.15000  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    53   0.56750  1.0 1.0
   51    46    48    53  -0.07550 -1.0 2.0
   51    46    48    53   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    63   0.15000  1.0 3.0
   56    51    60    61   0.15000  1.0 3.0
   56    51    60    62   0.15000  1.0 3.0
   56    51    60    63   0.15000  1.0 3.0
   60    51    56    57   0.15000  1.0 3.0
   60    51    56    58   0.15000  1.0 3.0
   60    51    56    59   0.15000  1.0 3.0
   40    37    38    39   0.00000  1.0 1.0
   40    37    38    44   0.09850  1.0 1.0
   40    37    38    44   0.15250 -1.0 2.0
   40    37    38    44  -0.50650  1.0 3.0
   40    37    53    48   0.56750  1.0 1.0
   40    37    53    48  -0.07550 -1.0 2.0
   40    37    53    48   0.20000  1.0 3.0
   40    37    53    54   0.15000  1.0 3.0
   40    37    53    55   0.15000  1.0 3.0
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
   37    39    38    44   1.10000 -1.0 2.0
   46    45    44    38   1.10000 -1.0 2.0
END
