* LIGAND DATABASE FILE (OPLS2005)
*
001      58    59    101    161     298
    1     0 S   NP   _N1_     1    29.29712    96.07746   -18.95734
    2     1 S   H    _HN1     2     1.02961    96.70211    46.65727
    3     1 S   H    _H1_     3     1.02841    41.23381   155.03786
    4     1 S   H    _H2_     4     1.02782    73.87582   -60.46335
    5     1 S   CT   _CA1     5     1.50098   147.37074  -166.56303
    6     5 S   HC   _HA1     6     1.09591   105.23296    33.25553
    7     5 S   CO3  _C1_     7     1.53835   112.16771   -86.68846
    8     7 S   O2Z  _O11     8     1.26318   115.05219   -51.05086
    9     7 S   O2Z  _O12     9     1.26271   114.85622   128.01714
   10     5 S   CT   _CB1    10     1.53128   107.37104   150.76927
   11    10 S   HC   HB11    11     1.09813   109.24770   -53.47382
   12    10 S   HC   HB12    12     1.09780   110.48115    62.95556
   13    10 S   CT   _CG1    13     1.52933   112.56151  -174.67505
   14    13 S   HC   HG11    14     1.09525   110.18981   -62.04240
   15    13 S   HC   HG12    15     1.09642   110.11583    56.84433
   16    13 S   C    _CD1    16     1.51876   112.45648   176.93356
   17    16 S   O    _OE1    17     1.22696   123.25014   -13.67060
   18    16 S   N    _N2_    18     1.38537   111.58077   167.56973
   19    18 S   H    _HN2    19     1.01588   118.77707    -0.20174
   20    18 S   CT1  _CA2    20     1.46275   123.82864   178.75935
   21    20 S   HC   _HA2    21     1.09728   109.41936   -18.79227
   22    20 S   C    _C2_    22     1.53483   107.48962  -134.19990
   23    22 S   O    _O2_    23     1.22979   122.46540  -142.78666
   24    20 S   CT   _CB2    32     1.53417   111.28227   104.01324
   25    24 S   HC   HB21    33     1.09375   109.30538    48.32746
   26    24 S   HC   HB22    34     1.09493   110.84762   166.57755
   27    22 S   N    _N3_    24     1.38571   113.17508    44.30527
   28    27 S   H    _HN3    25     1.01534   118.94514    -0.23490
   29    24 S   S    _SG2    35     1.83129   111.80457   -75.08059
   30    27 S   CT   _CA3    26     1.45452   123.38267   175.14530
   31    30 S   HC   HA31    27     1.09527   109.15674    25.68881
   32    30 S   HC   HA32    28     1.09492   107.12969   142.70659
   33    29 S   CT   _C12    36     1.84616   101.50754   139.60992
   34    33 S   Cl   Cl3_    37     1.80757   108.80327   168.20331
   35    30 S   CO3  _C3_    29     1.52946   113.21753   -97.71547
   36    35 S   O2Z  _O31    30     1.26397   115.46402   -42.10094
   37    35 S   O2Z  _O32    31     1.26363   114.92869   138.82964
   38    33 S   CO4  _C13    38     1.53304   108.30171    55.41360
   39    38 S   O    _O33    39     1.23350   121.62567    55.79394
   40    38 S   CM   _C14    40     1.49250   118.57142  -124.16407
   41    40 S   Cl   Cl2_    41     1.73115   115.67075   179.47661
   42    40 S   CM   _C15    42     1.34367   120.48245     0.05935
   43    42 S   Cl   Cl1_    43     1.75013   119.88619   179.44574
   44    42 S   CM   _C10    44     1.46830   123.21527    -0.62994
   45    44 S   CA   _C9_    45     1.48455   121.82191   179.80021
   46    33 S   CM   _C11    57     1.50982   111.43254   -71.48558
   47    46 S   Cl   Cl4_    58     1.75806   115.11712   -58.84652
   48    45 S   CA   _C4_    46     1.40255   120.42937    89.54637
   49    48 S   HA   _H3_    47     1.08726   120.66646    -0.52971
   50    48 S   CA   _C5_    48     1.39498   120.10265   178.79504
   51    50 S   HA   _H4_    49     1.08617   119.90460  -179.34151
   52    50 S   CA   _C6_    50     1.39224   119.63201    -0.00000
   53    52 S   CA   _C7_    51     1.39313   120.90059     0.82851
   54    53 S   HA   _H5_    52     1.08610   120.91613   179.93439
   55    52 S   OH   _O34    55     1.36643   118.20093  -178.94223
   56    55 S   HO   _H7_    56     0.97287   108.33063   173.04142
   57    45 S   CA   _C8_    53     1.40289   119.94719   -90.71649
   58    57 S   HA   _H6_    54     1.08710   120.65039     0.61070
  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
  10   6   2   1   1   8   4   6   3   7   3   9  11   3   1   8
   4   7   3   6   5   3   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47  
   38    39    40    44    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    48    57    46    47  
   44    45    46  
   45    48    49    50    53    57    58    46    47  
   48    49    50    51    52    53    54    57    58    46    47  
   47    48    57  
    0  
   49    50    51    52    53    57    58    55  
   50    51    52    57  
   51    52    53    54    57    55    56  
   52    53    55  
   53    54    57    58    55    56  
   54    57    58    55    56  
   57    58    55  
   56    57  
    0  
   58  
    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   3.7500   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   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   42   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   245.000  1.781
   33    38   317.000  1.522
   33    46   317.000  1.510
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   300.000  1.725
   40    42   549.000  1.340
   42    43   300.000  1.725
   42    44   380.000  1.444
   44    45   320.000  1.460
   44    46   549.000  1.340
   45    48   469.000  1.400
   45    57   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   450.000  1.364
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   55    56   553.000  0.945
   46    47   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  110.18000
   29    33    46    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    46    44    70.00000  124.00000
   33    46    47    75.00000  111.02000
   38    33    34    70.00000  110.66000
   38    40    41    70.00000  120.00000
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    75.00000  121.50000
   40    42    44    70.00000  123.01800
   42    40    41    75.00000  121.50000
   42    44    45    60.00000  123.66000
   42    44    46    70.00000  123.01800
   44    42    43    75.00000  121.50000
   44    45    48    60.00000  118.70000
   44    45    57    60.00000  118.70000
   44    46    47    75.00000  121.50000
   45    48    49    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    57    53    63.00000  120.00000
   45    57    58    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    70.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    57    63.00000  120.00000
   52    55    56    35.00000  113.00000
   53    57    58    35.00000  120.00000
   57    45    48    63.00000  120.00000
   57    53    54    35.00000  120.00000
   55    52    53    70.00000  120.00000
   46    33    34    75.00000  111.90500
   46    33    38    70.00000  109.06800
   46    44    45    60.00000  123.66000
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   0.01700  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    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   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   0.30150 -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    46    44   0.42700  1.0 1.0
   29    33    46    44  -0.70350 -1.0 2.0
   29    33    46    44  -0.43150  1.0 3.0
   29    33    46    47   0.09700  1.0 1.0
   29    33    46    47   0.15600 -1.0 2.0
   29    33    46    47  -0.50800  1.0 3.0
   33    38    40    41   1.50000 -1.0 2.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.65300  1.0 1.0
   34    33    38    40  -0.03850 -1.0 2.0
   34    33    38    40   0.33900  1.0 3.0
   34    33    46    44   0.09700  1.0 1.0
   34    33    46    44   0.15600 -1.0 2.0
   34    33    46    44  -0.50800  1.0 3.0
   34    33    46    47   0.09700  1.0 1.0
   34    33    46    47   0.15600 -1.0 2.0
   34    33    46    47  -0.50800  1.0 3.0
   38    33    46    44  -0.51250  1.0 1.0
   38    33    46    44  -0.88800 -1.0 2.0
   38    33    46    44   0.08850  1.0 3.0
   38    33    46    47   0.09700  1.0 1.0
   38    33    46    47   0.15600 -1.0 2.0
   38    33    46    47  -0.50800  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41  -0.52200  1.0 1.0
   39    38    40    41   0.82950 -1.0 2.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    44    45  -0.18600  1.0 3.0
   40    42    44    46   0.28850  1.0 1.0
   40    42    44    46   2.61350 -1.0 2.0
   40    42    44    46   0.78400  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    45    48   0.15800  1.0 1.0
   42    44    45    48   1.85350 -1.0 2.0
   42    44    45    48  -0.48700  1.0 3.0
   42    44    45    57   0.15800  1.0 1.0
   42    44    45    57   1.85350 -1.0 2.0
   42    44    45    57  -0.48700  1.0 3.0
   42    44   -46    33   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   43    42    44    45   1.08500 -1.0 2.0
   43    42    44    46  -0.18600  1.0 3.0
   44    45    48    49   3.62500 -1.0 2.0
   44    45    48    50   3.62500 -1.0 2.0
   44    45    57    53   3.62500 -1.0 2.0
   44    45    57    58   3.62500 -1.0 2.0
   45    44    46    33   7.00000 -1.0 2.0
   45    44    46    47   7.00000 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    52   3.62500 -1.0 2.0
   48    45    57    53   3.62500 -1.0 2.0
   48    45    57    58   3.62500 -1.0 2.0
   48    50   -52    53   3.62500 -1.0 2.0
   48    50    52    55   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    57   3.62500 -1.0 2.0
   50    52    55    56   0.84100 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53   -57    45   3.62500 -1.0 2.0
   52    53    57    58   3.62500 -1.0 2.0
   53    52    55    56   0.84100 -1.0 2.0
   54    53    57    45   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   57    45    48    49   3.62500 -1.0 2.0
   57    45   -48    50   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    57   3.62500 -1.0 2.0
   46    33    38    39   0.30150 -1.0 2.0
   46    33   -38    40   0.65300  1.0 1.0
   46    33   -38    40  -0.03850 -1.0 2.0
   46    33   -38    40   0.33900  1.0 3.0
   46    44    45    48   0.15800  1.0 1.0
   46    44    45    48   1.85350 -1.0 2.0
   46    44    45    48  -0.48700  1.0 3.0
   46    44    45    57   0.15800  1.0 1.0
   46    44    45    57   1.85350 -1.0 2.0
   46    44    45    57  -0.48700  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  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    57    45    44   4.00000 -1.0 2.0
   50    49    48    45   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   57    54    53    52   1.10000 -1.0 2.0
   53    58    57    45   1.10000 -1.0 2.0
   33    47    46    44   1.10000 -1.0 2.0
END
