* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    157     302
    1     0 S   NP   _N1_     1    28.91790    95.12901   -20.51067
    2     1 S   H    _HN1     2     1.02958    89.42736    27.40236
    3     1 S   H    _H1_     3     1.02838    35.19305   148.86142
    4     1 S   H    _H2_     4     1.02777    85.59256   -81.04327
    5     1 S   CT   _CA1     5     1.50078   145.81881   154.71715
    6     5 S   HC   _HA1     6     1.09568   105.28135    55.52152
    7     5 S   CO3  _C1_     7     1.53729   112.49218   -64.85144
    8     7 S   O2Z  _O11     8     1.26356   115.01637   -42.22045
    9     7 S   O2Z  _O12     9     1.26216   114.91874   137.27454
   10     5 S   CT   _CB1    10     1.53079   107.49484   173.59997
   11    10 S   HC   HB11    11     1.09819   109.38448   -50.27127
   12    10 S   HC   HB12    12     1.09826   110.39303    66.31176
   13    10 S   CT   _CG1    13     1.52991   112.65273  -171.38564
   14    13 S   HC   HG11    14     1.09522   110.47149   -62.26733
   15    13 S   HC   HG12    15     1.09643   110.05017    56.90544
   16    13 S   C    _CD1    16     1.51745   112.27204   177.15401
   17    16 S   O    _OE1    17     1.22718   123.24386    -6.65770
   18    16 S   N    _N2_    18     1.38580   111.61837   173.88201
   19    18 S   H    _HN2    19     1.01592   119.02904     0.41590
   20    18 S   CT1  _CA2    20     1.46188   123.37878  -179.86294
   21    20 S   HC   _HA2    21     1.09728   109.43639   -11.45673
   22    20 S   C    _C2_    22     1.53432   108.26043  -127.13563
   23    22 S   O    _O2_    23     1.23012   122.23379  -145.72505
   24    20 S   CT   _CB2    32     1.53297   111.32006   110.71753
   25    24 S   HC   HB21    33     1.09458   109.69599    56.23049
   26    24 S   HC   HB22    34     1.09521   110.61986   174.24088
   27    22 S   N    _N3_    24     1.38507   113.37466    41.58686
   28    27 S   H    _HN3    25     1.01524   118.91221    -0.64437
   29    24 S   S    _SG2    35     1.82914   111.79443   -66.81047
   30    27 S   CT   _CA3    26     1.45455   123.52820   175.17334
   31    30 S   HC   HA31    27     1.09516   109.34179    22.32022
   32    30 S   HC   HA32    28     1.09498   107.09582   139.34158
   33    29 S   CT   _C10    36     1.85180   100.01544   139.36909
   34    33 S   HC   _H3_    37     1.09754   105.93099    39.13580
   35    30 S   CO3  _C3_    29     1.52918   113.04117  -101.22949
   36    35 S   O2Z  _O31    30     1.26407   115.37796   -44.97337
   37    35 S   O2Z  _O32    31     1.26350   114.99902   135.94235
   38    33 S   CA   _C9_    38     1.51941   109.94438   -79.92859
   39    33 S   CT   _C11    51     1.54797   109.56927   154.42335
   40    39 S   HC   _H4_    52     1.09699   111.72738    56.09546
   41    38 S   CA   _C4_    39     1.40530   119.62046   111.74897
   42    41 S   HA   _H5_    40     1.08781   120.30012    -0.40348
   43    39 S   CT   _C12    53     1.53283   112.78835  -179.93147
   44    43 S   HC   _H9_    54     1.09500   110.96540    64.51774
   45    43 S   HC   _H10    55     1.09304   112.17914   -58.36766
   46    39 S   OH   _O34    58     1.43581   108.68681   -61.72078
   47    46 S   HO   _H12    59     0.97372   106.79377  -177.08657
   48    41 S   CA   _C5_    41     1.39606   120.94113   179.25743
   49    48 S   HA   _H6_    42     1.08660   119.02543  -179.41149
   50    43 S   OH   _O33    56     1.42611   108.59408  -177.25862
   51    50 S   HO   _H11    57     0.97271   106.99781  -179.82868
   52    48 S   CA   _C6_    43     1.39579   119.14648    -0.28871
   53    52 S   CA   _C7_    44     1.39527   121.19105     0.48779
   54    53 S   HA   _H7_    45     1.08668   121.78117   179.52522
   55    52 S   NO2  _N4_    48     1.45535   119.31621  -178.77619
   56    55 S   ON   _O36    49     1.23879   117.50726   -29.54399
   57    55 S   ON   _O35    50     1.23851   117.53829   149.52731
   58    38 S   CA   _C8_    46     1.40663   121.71278   -68.69992
   59    58 S   HA   _H8_    47     1.08760   120.49558     0.95634
  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
  16   7   2   1   1  13  10   6   8   4   6   4   3   2   1   8
   3   1   1   7   6   3   3   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    53    58    59    39    40    43    44    45    50    46    47  
   38    41    58    39    40    43    46  
   36    37  
   37  
    0  
   41    42    48    49    52    53    54    58    59    39    40    43    46  
   40    43    44    45    50    51    46    47    41    58  
   43    44    45    50    46    47  
   42    48    49    52    53    58    59    55  
   48    49    52    58  
   44    45    50    51    46    47  
   45    50    51    46  
   50    51    46  
   47    50  
    0  
   49    52    53    54    58    55    56    57  
   52    53    55  
   51  
    0  
   53    54    58    59    55    56    57  
   54    58    59    55    56    57  
   58    59    55  
   56    57    58  
   57  
    0  
   59  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.090000   2.5000   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   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    58   469.000  1.400
   41    42   367.000  1.080
   41    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   469.000  1.400
   52    55   400.000  1.460
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   55    56   550.000  1.225
   55    57   550.000  1.225
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   320.000  1.410
   50    51   553.000  0.945
   46    47   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    46    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    48    63.00000  120.00000
   38    58    53    63.00000  120.00000
   38    58    59    35.00000  120.00000
   41    48    49    35.00000  120.00000
   41    48    52    63.00000  120.00000
   48    41    42    35.00000  120.00000
   48    52    53    63.00000  120.00000
   48    52    55    85.00000  120.00000
   52    48    49    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    80.00000  117.50000
   52    55    57    80.00000  117.50000
   53    58    59    35.00000  120.00000
   58    38    41    63.00000  120.00000
   58    53    54    35.00000  120.00000
   55    52    53    85.00000  120.00000
   57    55    56    80.00000  125.30000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    50    50.00000  109.50000
   39    46    47    55.00000  108.50000
   43    39    40    37.50000  110.70000
   43    50    51    55.00000  108.50000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   46    39    40    35.00000  109.50000
   46    39    43    50.00000  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    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    48   3.62500 -1.0 2.0
   33    38    58    53   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    50   0.86500  1.0 1.0
   33    39    43    50  -0.17500 -1.0 2.0
   33    39    43    50   0.20800  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    46   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -0.03700  1.0 1.0
   38    33    39    43   0.37200 -1.0 2.0
   38    33    39    43  -0.47300  1.0 3.0
   38    33    39    46   1.13150  1.0 1.0
   38    33    39    46  -1.01400 -1.0 2.0
   38    41    48    49   3.62500 -1.0 2.0
   38    41    48    52   3.62500 -1.0 2.0
   41    38    58    53   3.62500 -1.0 2.0
   41    38    58    59   3.62500 -1.0 2.0
   41    48   -52    53   3.62500 -1.0 2.0
   41    48    52    55   3.62500 -1.0 2.0
   42    41    48    49   3.62500 -1.0 2.0
   42    41    48    52   3.62500 -1.0 2.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52    53    58   3.62500 -1.0 2.0
   48    52    55    56   0.69950 -1.0 2.0
   48    52    55    57   0.69950 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    53   -58    38   3.62500 -1.0 2.0
   52    53    58    59   3.62500 -1.0 2.0
   53    52    55    56   0.69950 -1.0 2.0
   53    52    55    57   0.69950 -1.0 2.0
   54    53    58    38   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    48   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    43    50    51  -0.11600  1.0 1.0
   39    43    50    51  -0.09450 -1.0 2.0
   39    43    50    51   0.21250  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    50   0.23400  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   43    39    46    47  -0.11600  1.0 1.0
   43    39    46    47  -0.09450 -1.0 2.0
   43    39    46    47   0.21250  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   45    43    50    51   0.19450  1.0 3.0
   46    39    43    44   0.23400  1.0 3.0
   46    39    43    45   0.23400  1.0 3.0
   46    39    43    50   3.75450  1.0 1.0
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
   41    58    38    33   4.00000 -1.0 2.0
   48    42    41    38   1.10000 -1.0 2.0
   52    49    48    41   1.10000 -1.0 2.0
   53    55    52    48   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   53    59    58    38   1.10000 -1.0 2.0
   56    52    55    57  10.50000 -1.0 2.0
END
