* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58    100    159     294
    1     0 S   NP   _N1_     1    28.73524    97.89373   -21.96452
    2     1 S   H    _HN1     2     1.02951    64.00951    18.46653
    3     1 S   H    _H1_     3     1.02829    51.70518   161.70783
    4     1 S   H    _H2_     4     1.02783    95.11408   -89.48697
    5     1 S   CT   _CA1     5     1.50111   151.97258   103.26737
    6     5 S   HC   _HA1     6     1.09573   105.20483   104.86231
    7     5 S   CO3  _C1_     7     1.53791   112.45455   -15.38385
    8     7 S   O2Z  _O11     8     1.26372   115.00368   -42.60702
    9     7 S   O2Z  _O12     9     1.26239   114.94571   136.54706
   10     5 S   CT   _CB1    10     1.53084   107.42468  -137.14904
   11    10 S   HC   HB11    11     1.09831   109.38401   -49.77718
   12    10 S   HC   HB12    12     1.09814   110.43947    66.83219
   13    10 S   CT   _CG1    13     1.52984   112.60227  -170.76656
   14    13 S   HC   HG11    14     1.09587   110.60757   -65.21876
   15    13 S   HC   HG12    15     1.09669   109.81659    54.01211
   16    13 S   C    _CD1    16     1.51794   112.26276   174.46540
   17    16 S   O    _OE1    17     1.22726   123.32085     5.65804
   18    16 S   N    _N2_    18     1.38643   111.63945  -174.50481
   19    18 S   H    _HN2    19     1.01593   118.91423     1.77740
   20    18 S   CT1  _CA2    20     1.46164   123.37016   177.92453
   21    20 S   HC   _HA2    21     1.09737   109.44082    -0.06256
   22    20 S   C    _C2_    22     1.53493   108.57123  -115.59609
   23    22 S   O    _O2_    23     1.23054   122.26434  -147.74109
   24    20 S   CT   _CB2    32     1.53359   111.51064   122.02995
   25    24 S   HC   HB21    33     1.09471   109.60699    55.98987
   26    24 S   HC   HB22    34     1.09428   109.77019   174.88595
   27    22 S   N    _N3_    24     1.38316   113.64311    39.69035
   28    27 S   H    _HN3    25     1.01605   119.57199    -3.44810
   29    24 S   S    _SG2    35     1.83000   111.21749   -65.33318
   30    27 S   CT   _CA3    26     1.45290   123.19622   177.07966
   31    30 S   HC   HA31    27     1.09549   107.51708   -64.27636
   32    30 S   HC   HA32    28     1.09557   107.97179    52.15531
   33    29 S   CT   _C15    36     1.86259   101.15927   175.23055
   34    33 S   Cl   Cl4_    37     1.83537   109.45045   177.63024
   35    30 S   CO3  _C3_    29     1.52956   114.08404   174.13994
   36    35 S   O2Z  _O31    30     1.26374   116.05507    -0.85935
   37    35 S   O2Z  _O32    31     1.26427   114.41707   179.20328
   38    33 S   CM   _C10    38     1.56443   111.09515    59.99220
   39    38 S   CM   _C5_    39     1.37581   126.43120    61.99647
   40    38 S   CM   _C11    50     1.47350   113.20363  -113.92811
   41    40 S   HC   _H4_    51     1.08616   117.47590   167.54057
   42    39 S   CM   _C4_    40     1.46997   121.87222   -11.33289
   43    42 S   HC   _H3_    41     1.08139   121.03374    30.87881
   44    40 S   CM   _C12    52     1.34163   125.67713    -8.54006
   45    44 S   Cl   Cl7_    53     1.73891   117.70250   178.55504
   46    42 S   CM   _C9_    42     1.34050   119.99638  -145.17386
   47    46 S   Cl   Cl1_    43     1.71739   122.09756   175.07256
   48    44 S   CM   _C13    54     1.44709   121.91852     0.58047
   49    48 S   Cl   Cl6_    55     1.74009   118.78232  -176.00497
   50    46 S   CO4  _C8_    44     1.48997   119.91271    -5.55443
   51    50 S   O    _O33    45     1.22541   122.29616   162.24756
   52    33 S   CM   _C14    56     1.53834   108.54524   -68.27059
   53    52 S   Cl   Cl5_    57     1.75617   116.36887   -59.83472
   54    50 S   CM   _C7_    46     1.49437   115.13972   -21.67676
   55    54 S   Cl   Cl2_    47     1.72479   115.85412  -153.66556
   56    39 S   CM   _C6_    48     1.48538   124.47570   171.55280
   57    56 S   Cl   Cl3_    49     1.74484   119.04822   -45.12938
  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   8   5   4   3
  12   6   2   1   1  14  13   8   3   8   4   5   3   6   3   3
   2   5   3   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    56    40    41    44    48    49    52    53  
   38    39    40    48    52    53  
   36    37  
   37  
    0  
   39    42    43    46    54    56    57    40    41    44    45    48    52    53  
   42    43    46    47    50    54    55    56    57    40    41    44    52  
   41    44    45    48    49    52    42    56  
   44    45    48  
   43    46    47    50    51    54    56    57  
   46    47    50    56  
   45    48    49    52    53  
   48    49    52  
   47    50    51    54    55    56  
   50    51    54  
   49    52    53  
   52    53  
   51    54    55    56    57  
   54    55    56  
   53  
    0  
   55    56    57  
   56    57  
   57  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   46   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   48   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   54   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   56   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
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   245.000  1.781
   33    38   317.000  1.510
   33    52   317.000  1.510
   38    39   549.000  1.340
   38    40   380.000  1.444
   39    42   380.000  1.444
   39    56   380.000  1.444
   42    43   340.000  1.080
   42    46   549.000  1.340
   46    47   300.000  1.725
   46    50   320.000  1.462
   50    51   570.000  1.229
   50    54   320.000  1.462
   54    55   300.000  1.725
   54    56   549.000  1.340
   56    57   300.000  1.725
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   300.000  1.725
   44    48   380.000  1.444
   48    49   300.000  1.725
   48    52   549.000  1.340
   52    53   300.000  1.725
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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    52    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    52    48    70.00000  124.00000
   33    52    53    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    42    70.00000  123.01800
   38    39    56    70.00000  123.01800
   38    40    41    35.00000  120.00000
   38    40    44    70.00000  123.01800
   39    42    43    35.00000  120.00000
   39    42    46    70.00000  123.01800
   39    56    54    70.00000  123.01800
   39    56    57    75.00000  121.50000
   42    46    47    75.00000  121.50000
   42    46    50    65.00000  118.96000
   46    42    43    35.00000  120.00000
   46    50    51    80.00000  123.72100
   46    50    54    65.00000  118.65900
   50    46    47    70.00000  120.00000
   50    54    55    70.00000  120.00000
   50    54    56    65.00000  118.96000
   54    50    51    80.00000  123.72100
   54    56    57    75.00000  121.50000
   56    39    42    70.00000  123.01800
   56    54    55    75.00000  121.50000
   40    38    39    70.00000  123.01800
   40    44    45    75.00000  121.50000
   40    44    48    70.00000  123.01800
   44    40    41    35.00000  120.00000
   44    48    49    75.00000  121.50000
   44    48    52    70.00000  123.01800
   48    44    45    75.00000  121.50000
   48    52    53    75.00000  121.50000
   52    33    34    75.00000  111.90500
   52    33    38    70.00000  110.12100
   52    48    49    75.00000  121.50000
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    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    52    48   0.42700  1.0 1.0
   29    33    52    48  -0.70350 -1.0 2.0
   29    33    52    48  -0.43150  1.0 3.0
   29    33    52    53   0.09700  1.0 1.0
   29    33    52    53   0.15600 -1.0 2.0
   29    33    52    53  -0.50800  1.0 3.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    56   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    44  -0.18600  1.0 3.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    52    48   0.09700  1.0 1.0
   34    33    52    48   0.15600 -1.0 2.0
   34    33    52    48  -0.50800  1.0 3.0
   34    33    52    53   0.09700  1.0 1.0
   34    33    52    53   0.15600 -1.0 2.0
   34    33    52    53  -0.50800  1.0 3.0
   38    33    52    48  -0.28300  1.0 1.0
   38    33    52    48   0.26700 -1.0 2.0
   38    33    52    48  -0.63300  1.0 3.0
   38    33    52    53   0.09700  1.0 1.0
   38    33    52    53   0.15600 -1.0 2.0
   38    33    52    53  -0.50800  1.0 3.0
   38    39    42    43  -0.18600  1.0 3.0
   38    39    42    46   0.28850  1.0 1.0
   38    39    42    46   2.61350 -1.0 2.0
   38    39    42    46   0.78400  1.0 3.0
   38    39    56    54   0.28850  1.0 1.0
   38    39    56    54   2.61350 -1.0 2.0
   38    39    56    54   0.78400  1.0 3.0
   38    39    56    57  -0.18600  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    48   7.00000 -1.0 2.0
   39    38    40    41  -0.18600  1.0 3.0
   39    38    40    44   0.28850  1.0 1.0
   39    38    40    44   2.61350 -1.0 2.0
   39    38    40    44   0.78400  1.0 3.0
   39    42    46    47   7.00000 -1.0 2.0
   39    42    46    50   7.00000 -1.0 2.0
   42    39    56    54   0.28850  1.0 1.0
   42    39    56    54   2.61350 -1.0 2.0
   42    39    56    54   0.78400  1.0 3.0
   42    39    56    57  -0.18600  1.0 3.0
   42    46    50    51   1.00000 -1.0 2.0
   42    46   -50    54  -1.18350  1.0 1.0
   42    46   -50    54   1.45950 -1.0 2.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    50   7.00000 -1.0 2.0
   46    50    54    55   1.50000 -1.0 2.0
   46    50    54    56  -1.18350  1.0 1.0
   46    50    54    56   1.45950 -1.0 2.0
   47    46    50    51  -0.52200  1.0 1.0
   47    46    50    51   0.82950 -1.0 2.0
   47    46    50    54   1.50000 -1.0 2.0
   50    54   -56    39   7.00000 -1.0 2.0
   50    54    56    57   7.00000 -1.0 2.0
   51    50    54    55  -0.52200  1.0 1.0
   51    50    54    55   0.82950 -1.0 2.0
   51    50    54    56   1.00000 -1.0 2.0
   55    54    56    39   7.00000 -1.0 2.0
   55    54    56    57   7.00000 -1.0 2.0
   56    39    42    43  -0.18600  1.0 3.0
   56    39   -42    46   0.28850  1.0 1.0
   56    39   -42    46   2.61350 -1.0 2.0
   56    39   -42    46   0.78400  1.0 3.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    56   7.00000 -1.0 2.0
   40    44    48    49  -0.18600  1.0 3.0
   40    44    48    52   0.28850  1.0 1.0
   40    44    48    52   2.61350 -1.0 2.0
   40    44    48    52   0.78400  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    48   7.00000 -1.0 2.0
   44    48   -52    33   7.00000 -1.0 2.0
   44    48    52    53   7.00000 -1.0 2.0
   45    44    48    49   1.08500 -1.0 2.0
   45    44    48    52  -0.18600  1.0 3.0
   49    48    52    33   7.00000 -1.0 2.0
   49    48    52    53   7.00000 -1.0 2.0
   52    33    38    39  -0.28300  1.0 1.0
   52    33    38    39   0.26700 -1.0 2.0
   52    33    38    39  -0.63300  1.0 3.0
   52    33   -38    40  -0.28300  1.0 1.0
   52    33   -38    40   0.26700 -1.0 2.0
   52    33   -38    40  -0.63300  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
   33    40    38    39   1.10000 -1.0 2.0
   42    56    39    38   1.10000 -1.0 2.0
   39    43    42    46   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
   50    55    54    56   1.10000 -1.0 2.0
   39    57    56    54   1.10000 -1.0 2.0
   38    41    40    44   1.10000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   44    49    48    52   1.10000 -1.0 2.0
   33    53    52    48   1.10000 -1.0 2.0
END
