* LIGAND DATABASE FILE (OPLS2005)
*
001      62    61    106    157     311
    1     0 S   NP   _N1_     1    29.08563    94.29415   -23.30887
    2     1 S   H    _HN1     2     1.02846    25.20614   134.82059
    3     1 S   H    _H1_     3     1.02819   100.34195  -115.43656
    4     1 S   H    _H2_     4     1.02919    87.45712    -7.38118
    5     1 S   CT   _CA1     5     1.50032   134.18887   109.41490
    6     5 S   HC   _HA1     6     1.09559   105.28825    71.00422
    7     5 S   CO3  _C1_     7     1.53800   112.44637   -49.64115
    8     7 S   O2Z  _O11     8     1.26447   115.11449   -47.78983
    9     7 S   O2Z  _O12     9     1.26169   115.07883   131.66065
   10     5 S   CT   _CB1    10     1.53071   107.52212  -170.73881
   11    10 S   HC   HB11    11     1.09828   109.82479   -47.47644
   12    10 S   HC   HB12    12     1.09812   110.33960    69.23769
   13    10 S   CT   _CG1    13     1.52988   112.30880  -168.23079
   14    13 S   HC   HG11    14     1.09583   110.78951   -59.91567
   15    13 S   HC   HG12    15     1.09647   109.72643    59.31138
   16    13 S   C    _CD1    16     1.51666   112.04152  -179.65622
   17    16 S   O    _OE1    17     1.22748   123.10820    12.70770
   18    16 S   N    _N2_    18     1.38618   111.84258  -168.76474
   19    18 S   H    _HN2    19     1.01582   119.20066     3.35380
   20    18 S   CT1  _CA2    20     1.46067   123.12337  -178.51378
   21    20 S   HC   _HA2    21     1.09565   109.16726    -1.83472
   22    20 S   C    _C2_    22     1.53418   109.15419  -116.98969
   23    22 S   O    _O2_    23     1.23051   122.14307  -150.46563
   24    20 S   CT   _CB2    32     1.53435   111.73721   120.21132
   25    24 S   HC   HB21    33     1.09657   109.53095    67.46236
   26    24 S   HC   HB22    34     1.09570   110.86215  -175.25542
   27    22 S   N    _N3_    24     1.38288   113.66680    37.03456
   28    27 S   H    _HN3    25     1.01608   119.51897    -3.53103
   29    24 S   S    _SG2    35     1.82919   114.60443   -51.86965
   30    27 S   CT   _CA3    26     1.45278   123.23503   176.99352
   31    30 S   HC   HA31    27     1.09549   107.53213   -64.02130
   32    30 S   HC   HA32    28     1.09555   107.96491    52.41818
   33    29 S   CT   _C8_    36     1.83490   100.16494   -68.61125
   34    33 S   HC   _H7_    37     1.09649   107.65804   -67.36629
   35    33 S   HC   _H8_    38     1.09419   108.48372    48.56349
   36    30 S   CO3  _C3_    29     1.52957   114.05511   174.39569
   37    36 S   O2Z  _O31    30     1.26379   116.05384    -0.74677
   38    36 S   O2Z  _O32    31     1.26422   114.42122   179.31643
   39    33 S   CT   _C7_    39     1.54626   113.02685   170.63886
   40    39 S   CM   _C6_    40     1.52422   110.88388   -69.81868
   41    40 S   HC   _H6_    41     1.09091   115.12324   -58.41884
   42    39 S   CO3  _C9_    56     1.56450   110.22468   175.96541
   43    42 S   O2Z  _O34    57     1.26219   116.53097    26.68648
   44    42 S   O2Z  _O33    58     1.26738   114.18214  -153.15411
   45    39 S   NP   _N4_    59     1.51189   107.46303    55.44495
   46    45 S   H    _H9_    60     1.02804   111.65448   -62.81491
   47    45 S   H    _H10    61     1.02896   110.35536   175.85509
   48    45 S   H    _H11    62     1.02827   110.96622    57.63262
   49    40 S   CM   _C5_    42     1.34310   127.14481   121.84165
   50    49 S   HC   _H5_    43     1.08589   120.51380    -0.65849
   51    49 S   CT   _C4_    44     1.49889   123.71054   179.36511
   52    51 S   HC   _H3_    45     1.09422   109.00596   126.36548
   53    51 S   HC   _H4_    46     1.09426   111.80514     4.06153
   54    51 S   NG   _N5_    47     1.46893   107.86769  -115.20832
   55    54 S   H    _H12    48     1.01718   119.70831     7.07318
   56    54 S   CG   _C10    49     1.38464   122.96023  -172.24741
   57    56 S   NG   _N7_    50     1.38145   119.01209   178.83568
   58    57 S   H    _H15    51     1.01588   121.35206     0.10087
   59    57 S   H    _H16    52     1.01599   121.13938  -179.98022
   60    56 S   NG   _N6_    53     1.37790   122.13807    -1.21676
   61    60 S   H    _H13    54     1.01543   121.22899   179.49798
   62    60 S   H    _H14    55     1.02121   122.33032    -1.19583
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   4   2   1   1  12  14   5   7   2   1   4   2   1   1
   7   4   7   4   3   8   3   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    49    42    43    44    45    46    47    48  
   35    39    40    42    45  
   39    40    42    45  
   37    38  
   38  
    0  
   40    41    49    50    51    42    43    44    45    46    47    48  
   41    49    50    51    52    53    54    42    43    44    45    46    47    48  
   49    50    51    42    45  
   43    44    45    46    47    48    49  
   44    45  
   45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56  
   51    52    53    54  
   52    53    54    55    56    57    60  
   53    54    55    56  
   54    55    56  
   55    56    57    58    59    60    61    62  
   56    57    60  
   57    58    59    60    61    62  
   58    59    60    61    62  
   59    60  
   60  
   61    62  
   62  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   46   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   48   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.213000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   56   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   57   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   59   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   61   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   317.000  1.510
   39    42   317.000  1.522
   39    45   367.000  1.471
   40    41   340.000  1.080
   40    49   549.000  1.340
   49    50   340.000  1.080
   49    51   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   337.000  1.463
   54    55   434.000  1.010
   54    56   481.000  1.340
   56    57   481.000  1.340
   56    60   481.000  1.340
   57    58   434.000  1.010
   57    59   434.000  1.010
   60    61   434.000  1.010
   60    62   434.000  1.010
   42    43   656.000  1.250
   42    44   656.000  1.250
   45    46   434.000  1.010
   45    47   434.000  1.010
   45    48   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    70.00000  112.02700
   33    39    42    70.00000  109.69300
   33    39    45    80.00000  111.20000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    35.00000  117.00000
   39    40    49    70.00000  124.00000
   39    42    43    70.00000  117.00000
   39    42    44    70.00000  117.00000
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    48    35.00000  109.50000
   40    49    50    35.00000  120.00000
   40    49    51    70.00000  124.00000
   49    40    41    35.00000  120.00000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    54    85.00000  108.88000
   51    49    50    35.00000  117.00000
   51    54    55    35.00000  118.40000
   51    54    56    50.00000  123.20000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    56    57    70.00000  120.00000
   54    56    60    70.00000  120.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    59    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    62    35.00000  120.00000
   59    57    58    35.00000  120.00000
   60    56    57    70.00000  120.00000
   62    60    61    35.00000  120.00000
   42    39    40    65.00000  111.94000
   44    42    43    80.00000  126.00000
   45    39    40    75.00000  110.06800
   45    39    42    80.00000  109.26000
   47    45    46    35.00000  109.50000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    39    40    41   0.00000  1.0 1.0
   33    39    40    49   0.09850  1.0 1.0
   33    39    40    49   0.15250 -1.0 2.0
   33    39    40    49  -0.50650  1.0 3.0
   33    39    42    43   0.41150 -1.0 2.0
   33    39    42    44   0.41150 -1.0 2.0
   33    39    45    46   0.17350  1.0 3.0
   33    39    45    47   0.17350  1.0 3.0
   33    39    45    48   0.17350  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42  -0.11250  1.0 3.0
   34    33    39    45   0.19200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    42  -0.11250  1.0 3.0
   35    33    39    45   0.19200  1.0 3.0
   39    40    49    50   7.00000 -1.0 2.0
   39    40    49    51   7.00000 -1.0 2.0
   40    39    42    43   0.30150 -1.0 2.0
   40    39    42    44   0.30150 -1.0 2.0
   40    39    45    46   0.17350  1.0 3.0
   40    39    45    47   0.17350  1.0 3.0
   40    39    45    48   0.17350  1.0 3.0
   40    49    51    52   0.00000  1.0 1.0
   40    49    51    53   0.00000  1.0 1.0
   40    49    51    54   0.62150  1.0 1.0
   40    49    51    54   0.42850 -1.0 2.0
   40    49    51    54  -0.68200  1.0 3.0
   41    40    49    50   7.00000 -1.0 2.0
   41    40    49    51   7.00000 -1.0 2.0
   49    51    54    55   0.00000  1.0 1.0
   49    51    54    56  -0.12500  1.0 1.0
   49    51    54    56  -0.12500 -1.0 2.0
   49    51    54    56   0.25000  1.0 3.0
   50    49    51    52   0.33100  1.0 3.0
   50    49    51    53   0.33100  1.0 3.0
   50    49    51    54   0.00000  1.0 1.0
   51    54    56    57   3.96800 -1.0 2.0
   51    54    56    60   3.96800 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.08850  1.0 3.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    56   0.08850  1.0 3.0
   54    56    57    58   1.50000 -1.0 2.0
   54    56    57    59   1.50000 -1.0 2.0
   54    56    60    61   1.50000 -1.0 2.0
   54    56    60    62   1.50000 -1.0 2.0
   55    54    56    57   1.50000 -1.0 2.0
   55    54    56    60   1.50000 -1.0 2.0
   57    56    60    61   1.50000 -1.0 2.0
   57    56    60    62   1.50000 -1.0 2.0
   60    56    57    58   1.50000 -1.0 2.0
   60    56    57    59   1.50000 -1.0 2.0
   42    39    40    41   0.00000  1.0 1.0
   42    39    40    49  -0.51250  1.0 1.0
   42    39    40    49  -0.88800 -1.0 2.0
   42    39    40    49   0.08850  1.0 3.0
   42    39    45    46   0.17350  1.0 3.0
   42    39    45    47   0.17350  1.0 3.0
   42    39    45    48   0.17350  1.0 3.0
   45    39    40    41   0.00000  1.0 1.0
   45    39    40    49   0.80850  1.0 1.0
   45    39    40    49  -0.47300 -1.0 2.0
   45    39    40    49  -0.52300  1.0 3.0
   45    39    42    43   0.30150 -1.0 2.0
   45    39    42    44   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    41    40    49  15.00000 -1.0 2.0
   51    50    49    40  15.00000 -1.0 2.0
   55    56    54    51   1.00000 -1.0 2.0
   54    57    56    60  10.50000 -1.0 2.0
   59    56    57    58   1.00000 -1.0 2.0
   61    62    60    56   1.00000 -1.0 2.0
   43    39    42    44  10.50000 -1.0 2.0
END
