* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    112    163     324
    1     0 S   NP   _N1_     1    28.77737    94.62918   -21.00295
    2     1 S   H    _HN1     2     1.02778    88.12132   -87.57747
    3     1 S   H    _H1_     3     1.02961    90.54769    20.75092
    4     1 S   H    _H2_     4     1.02836    32.03355   143.20603
    5     1 S   CT   _CA1     5     1.50117   142.73980   146.76295
    6     5 S   HC   _HA1     6     1.09571   105.24813    57.13788
    7     5 S   CO3  _C1_     7     1.53870   112.40689   -63.09659
    8     7 S   O2Z  _O11     8     1.26362   115.00333   -42.43035
    9     7 S   O2Z  _O12     9     1.26245   114.95965   136.76096
   10     5 S   CT   _CB1    10     1.53116   107.42478   175.11561
   11    10 S   HC   HB11    11     1.09816   109.52342   -50.08133
   12    10 S   HC   HB12    12     1.09822   110.32113    66.55449
   13    10 S   CT   _CG1    13     1.52951   112.56465  -171.18303
   14    13 S   HC   HG11    14     1.09483   110.18782   -61.06319
   15    13 S   HC   HG12    15     1.09631   110.12866    58.10386
   16    13 S   C    _CD1    16     1.51753   112.46493   178.71123
   17    16 S   O    _OE1    17     1.22708   123.24763    -6.64977
   18    16 S   N    _N2_    18     1.38629   111.54704   173.57480
   19    18 S   H    _HN2    19     1.01572   119.04635     2.19062
   20    18 S   CT1  _CA2    20     1.46246   123.47801  -177.41358
   21    20 S   HC   _HA2    21     1.09727   109.39491    -7.67609
   22    20 S   C    _C2_    22     1.53420   108.56681  -123.47219
   23    22 S   O    _O2_    23     1.23024   122.21019  -146.71068
   24    20 S   CT   _CB2    32     1.53437   111.20035   114.21644
   25    24 S   HC   HB21    33     1.09473   109.64454    56.97444
   26    24 S   HC   HB22    34     1.09511   110.53857   175.77237
   27    22 S   N    _N3_    24     1.38504   113.44944    40.71104
   28    27 S   H    _HN3    25     1.01516   118.88224    -0.68614
   29    24 S   S    _SG2    35     1.82711   111.44262   -64.52907
   30    27 S   CT   _CA3    26     1.45453   123.53568   175.16240
   31    30 S   HC   HA31    27     1.09518   109.33534    22.47740
   32    30 S   HC   HA32    28     1.09499   107.09639   139.49316
   33    29 S   CT   _C9_    36     1.85652    99.67370   168.29590
   34    33 S   HC   _H3_    37     1.09840   107.08512    39.45020
   35    30 S   CO3  _C3_    29     1.52918   113.05066  -101.07187
   36    35 S   O2Z  _O31    30     1.26410   115.37869   -45.01401
   37    35 S   O2Z  _O32    31     1.26352   115.00006   135.91047
   38    33 S   CO4  _C5_    38     1.52608   106.48005   -76.35832
   39    38 S   O    _O34    39     1.23017   121.78153   106.92136
   40    38 S   CM   _C4_    40     1.50425   116.95935   -74.04284
   41    40 S   CT   _C7_    41     1.50846   113.46657   -47.83048
   42    41 S   HC   _H14    42     1.09404   111.87420   165.87887
   43    41 S   HC   _H15    43     1.09660   108.58442   -77.17373
   44    40 S   CM   _C6_    53     1.35269   120.04403   132.62186
   45    41 S   CT   _C8_    44     1.53614   113.30357    45.02552
   46    45 S   HC   _H16    45     1.10033   108.18309    73.27366
   47    45 S   HC   _H17    46     1.10005   108.16660  -172.99717
   48    44 S   CT   _C11    54     1.50927   123.33840   175.96842
   49    48 S   HC   _H19    55     1.09466   110.09876   105.40994
   50    48 S   HC   _H20    56     1.09597   110.05237  -135.33489
   51    48 S   HC   _H21    57     1.09210   113.64077   -16.51617
   52    44 S   CT   _C12    58     1.51013   124.48190    -4.18502
   53    52 S   HC   _H22    59     1.09466   110.07184   102.31686
   54    52 S   HC   _H23    60     1.09531   110.21290  -138.59794
   55    52 S   HC   _H24    61     1.09215   113.54390   -19.72621
   56    33 S   CT   _C10    47     1.55869   115.77238   161.99995
   57    56 S   OM   _O33    48     1.32365   110.74796   -54.27864
   58    56 S   CT   _C13    49     1.55013   109.75834  -171.15886
   59    58 S   HC   _H25    50     1.09872   111.81367    60.75506
   60    58 S   HC   _H26    51     1.09530   112.10989   -58.93715
   61    58 S   HC   _H27    52     1.09850   111.83333  -178.98548
  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
  15   7   2   1   1  12   4  16  11   6   5   9   8   4   3   7
   3   2   1   3   2   1   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    56    57    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    47    56    57    58    59    60    61    44  
   38    39    40    45    56    57    58  
   36    37  
   37  
    0  
   39    40    41    42    43    45    56    57    58    44    48    52  
   40    41    56    44  
   41    42    43    45    46    47    56    44    48    49    50    51    52    53    54    55  
   42    43    45    46    47    56    57    58    44    48    52  
   43    45    46    47    56    44  
   45    46    47    56    44  
   48    49    50    51    52    53    54    55    45  
   46    47    56    57    58    59    60    61  
   47    56    57    58  
   56    57    58  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   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  1.522
   33    56   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   317.000  1.510
   40    44   549.000  1.340
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    56   268.000  1.529
   56    57   570.000  1.307
   56    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   44    48   317.000  1.510
   44    52   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    56    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    56    45    58.35000  112.70000
   33    56    57    50.00000  109.50000
   33    56    58    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  116.34900
   38    40    44    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    41    42    35.00000  109.50000
   40    41    43    35.00000  109.50000
   40    41    45    70.00000  112.02700
   40    44    48    70.00000  124.00000
   40    44    52    70.00000  124.00000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    56    58.35000  112.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   45    56    57    50.00000  109.50000
   45    56    58    58.35000  112.70000
   47    45    46    33.00000  107.80000
   56    33    34    37.50000  110.70000
   56    33    38    63.00000  111.10000
   56    45    46    37.50000  110.70000
   56    45    47    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    37.50000  110.70000
   58    56    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   44    40    41    70.00000  124.00000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   44    52    53    35.00000  109.50000
   44    52    54    35.00000  109.50000
   44    52    55    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    44    48    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    56    45   0.44750  1.0 1.0
   29    33    56    45  -0.17800 -1.0 2.0
   29    33    56    45   0.20200  1.0 3.0
   29    33    56    57   0.56750  1.0 1.0
   29    33    56    57  -0.07550 -1.0 2.0
   29    33    56    57   0.20000  1.0 3.0
   29    33    56    58   0.44750  1.0 1.0
   29    33    56    58  -0.17800 -1.0 2.0
   29    33    56    58   0.20200  1.0 3.0
   33    38    40    41   0.25700  1.0 1.0
   33    38    40    41   0.66200 -1.0 2.0
   33    38    40    41   0.04450  1.0 3.0
   33    38    40    44  -0.33500  1.0 1.0
   33    38    40    44   1.06600 -1.0 2.0
   33    38    40    44  -0.14000  1.0 3.0
   33    56    58    59   0.15000  1.0 3.0
   33    56    58    60   0.15000  1.0 3.0
   33    56    58    61   0.15000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    56    45   0.15000  1.0 3.0
   34    33    56    57   0.23400  1.0 3.0
   34    33    56    58   0.15000  1.0 3.0
   38    33    56    45  -0.95700  1.0 1.0
   38    33    56    45  -0.18200 -1.0 2.0
   38    33    56    45   0.29450  1.0 3.0
   38    33    56    57  -0.09450  1.0 1.0
   38    33    56    57  -1.12950 -1.0 2.0
   38    33    56    57   0.54000  1.0 3.0
   38    33    56    58  -0.95700  1.0 1.0
   38    33    56    58  -0.18200 -1.0 2.0
   38    33    56    58   0.29450  1.0 3.0
   38    40    41    42   0.15000  1.0 3.0
   38    40    41    43   0.15000  1.0 3.0
   38    40   -41    45   0.09700  1.0 1.0
   38    40   -41    45   0.15600 -1.0 2.0
   38    40   -41    45  -0.50800  1.0 3.0
   38    40    44    48   7.00000 -1.0 2.0
   38    40    44    52   7.00000 -1.0 2.0
   39    38    40    41  -0.64400  1.0 1.0
   39    38    40    41   0.26850 -1.0 2.0
   39    38    40    44   1.00000 -1.0 2.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    47   0.15000  1.0 3.0
   40    41    45    56   0.34400  1.0 1.0
   40    41    45    56   0.09450 -1.0 2.0
   40    41    45    56   0.11100  1.0 3.0
   40    44    48    49   0.00000  1.0 1.0
   40    44    48    50   0.00000  1.0 1.0
   40    44    48    51   0.00000  1.0 1.0
   40    44    52    53   0.00000  1.0 1.0
   40    44    52    54   0.00000  1.0 1.0
   40    44    52    55   0.00000  1.0 1.0
   41    40    44    48   7.00000 -1.0 2.0
   41    40    44    52   7.00000 -1.0 2.0
   41    45   -56    33   0.56750  1.0 1.0
   41    45   -56    33  -0.07550 -1.0 2.0
   41    45   -56    33   0.20000  1.0 3.0
   41    45    56    57   0.62750  1.0 1.0
   41    45    56    57  -0.30950 -1.0 2.0
   41    45    56    57   0.27300  1.0 3.0
   41    45    56    58   0.56750  1.0 1.0
   41    45    56    58  -0.07550 -1.0 2.0
   41    45    56    58   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    56   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    56   0.15000  1.0 3.0
   45    56    58    59   0.15000  1.0 3.0
   45    56    58    60   0.15000  1.0 3.0
   45    56    58    61   0.15000  1.0 3.0
   46    45    56    33   0.15000  1.0 3.0
   46    45    56    57   0.23400  1.0 3.0
   46    45    56    58   0.15000  1.0 3.0
   47    45    56    33   0.15000  1.0 3.0
   47    45    56    57   0.23400  1.0 3.0
   47    45    56    58   0.15000  1.0 3.0
   56    33    38    39   0.30150 -1.0 2.0
   56    33   -38    40   0.65300  1.0 1.0
   56    33   -38    40  -0.03850 -1.0 2.0
   56    33   -38    40   0.33900  1.0 3.0
   57    56    58    59   0.23400  1.0 3.0
   57    56    58    60   0.23400  1.0 3.0
   57    56    58    61   0.23400  1.0 3.0
   44    40    41    42   0.00000  1.0 1.0
   44    40    41    43   0.00000  1.0 1.0
   44    40    41    45   0.09850  1.0 1.0
   44    40    41    45   0.15250 -1.0 2.0
   44    40    41    45  -0.50650  1.0 3.0
   48    44    52    53   0.34800  1.0 3.0
   48    44    52    54   0.34800  1.0 3.0
   48    44    52    55   0.34800  1.0 3.0
   52    44    48    49   0.34800  1.0 3.0
   52    44    48    50   0.34800  1.0 3.0
   52    44    48    51   0.34800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    44   1.10000 -1.0 2.0
   48    52    44    40   1.10000 -1.0 2.0
END
