* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    108    157     310
    1     0 S   NP   _N1_     1    28.62664    98.19765   -20.20580
    2     1 S   H    _HN1     2     1.02838    49.08330   128.84937
    3     1 S   H    _H1_     3     1.02783    94.85557  -121.66268
    4     1 S   H    _H2_     4     1.02958    66.77388   -13.81392
    5     1 S   CT   _CA1     5     1.50149   151.45485    76.51984
    6     5 S   HC   _HA1     6     1.09569   105.22358    99.09933
    7     5 S   CO3  _C1_     7     1.53788   112.20839   -21.12408
    8     7 S   O2Z  _O11     8     1.26346   115.05994   -46.04810
    9     7 S   O2Z  _O12     9     1.26270   115.03188   133.00970
   10     5 S   CT   _CB1    10     1.53109   107.38520  -142.94872
   11    10 S   HC   HB11    11     1.09830   109.47316   -49.19300
   12    10 S   HC   HB12    12     1.09812   110.40462    67.40936
   13    10 S   CT   _CG1    13     1.53000   112.62829  -170.15380
   14    13 S   HC   HG11    14     1.09460   110.51559   -63.16984
   15    13 S   HC   HG12    15     1.09651   109.89642    56.00170
   16    13 S   C    _CD1    16     1.51814   112.27098   176.58075
   17    16 S   O    _OE1    17     1.22778   123.27046     3.31434
   18    16 S   N    _N2_    18     1.38487   111.80403  -176.67363
   19    18 S   H    _HN2    19     1.01639   119.36232     1.53033
   20    18 S   CT1  _CA2    20     1.45870   122.83768   179.17671
   21    20 S   HC   _HA2    21     1.09740   108.62021    31.89722
   22    20 S   C    _C2_    22     1.53004   107.37182   -85.27452
   23    22 S   O    _O2_    23     1.22976   123.19653   -26.17378
   24    20 S   CT   _CB2    32     1.53215   111.97525   155.04609
   25    24 S   HC   HB21    33     1.09455   109.36301    56.96248
   26    24 S   HC   HB22    34     1.09538   110.44105   174.77933
   27    22 S   N    _N3_    24     1.38549   112.49712   156.30378
   28    27 S   H    _HN3    25     1.01649   120.31330    -1.80385
   29    24 S   S    _SG2    35     1.83361   110.66833   -66.29830
   30    27 S   CT   _CA3    26     1.45340   122.45613   178.72129
   31    30 S   HC   HA31    27     1.09568   107.73671   -57.17122
   32    30 S   HC   HA32    28     1.09564   107.66799    59.14046
   33    29 S   CT   _C13    36     1.88017   102.33073   142.34475
   34    33 S   OM   _O34    37     1.31412   109.78894   -58.78183
   35    30 S   CO3  _C3_    29     1.52881   114.37253  -179.05622
   36    35 S   O2Z  _O31    30     1.26333   116.09666    -0.75173
   37    35 S   O2Z  _O32    31     1.26447   114.40134   179.24853
   38    33 S   CM   _C12    38     1.57663   105.49913   176.79796
   39    33 S   S    _S1_    59     1.88826   108.18667    58.74700
   40    38 S   CMA  _C11    39     1.38184   130.81104    96.92974
   41    40 S   OM   _O35    40     1.27357   126.40527   178.46507
   42    38 S   NE   _N4_    56     1.39478   112.73496   -81.17772
   43    42 S   H    _H13    57     1.01264   118.41115   179.14453
   44    42 S   H    _H14    58     1.01117   119.44015    -0.69942
   45    39 S   CT   _C14    60     1.81630   100.95918   178.79212
   46    45 S   HC   _H10    61     1.09368   108.48384  -177.26441
   47    45 S   HC   _H11    62     1.09282   111.06188    64.30943
   48    45 S   HC   _H12    63     1.09232   111.38394   -58.55695
   49    40 S   CA   _C7_    41     1.49662   117.52798    -4.07919
   50    49 S   CA   _C8_    42     1.40376   120.20553   -82.27756
   51    50 S   HA   _H7_    43     1.08712   120.33649     1.44645
   52    50 S   CA   _C9_    44     1.39413   120.34017  -178.53340
   53    52 S   HA   _H8_    45     1.08550   119.24244  -180.00000
   54    52 S   CA   _C10    46     1.39516   119.80966     0.22468
   55    54 S   CA   _C5_    47     1.40051   121.11207     1.00054
   56    54 S   OH   _O33    54     1.36976   119.97324  -179.12330
   57    56 S   HO   _H9_    55     0.97677   108.94716     6.30540
   58    49 S   CA   _C6_    48     1.40707   120.55532   100.77847
   59    58 S   HA   _H6_    49     1.08821   119.25349    -2.04009
   60    55 S   CT   _C4_    50     1.50023   121.13000   179.79442
   61    60 S   HC   _H3_    51     1.09481   110.30540   -57.84155
   62    60 S   HC   _H4_    52     1.09472   110.17664    62.97228
   63    60 S   HC   _H5_    53     1.09507   111.57100  -177.32292
  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   2   1   1  10   6  11   4   3   1   1   3   2   1   1
   9   8   4   7   3   9   8   3   1   5   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    49    42    43    44    39    45    46    47    48  
   38    40    42    39    45  
   36    37  
   37  
    0  
   40    41    49    50    58    42    43    44    39    45  
   45    46    47    48    40    42  
   41    49    50    51    52    55    58    59    42    43    44  
   49    50    58    42  
   43    44    49  
   44  
    0  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    59    60  
   51    52    53    54    55    58    59    56  
   52    53    54    58  
   53    54    55    58    60    56    57  
   54    55    56  
   55    58    59    60    61    62    63    56    57  
   58    59    60    61    62    63    56    57  
   57    58    60  
    0  
   59    60    61    62    63  
   60  
   61    62    63  
   62    63  
   63  
    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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   222.000  1.810
   38    40   465.000  1.376
   38    42   425.000  1.378
   40    41   745.000  1.250
   40    49   320.000  1.460
   49    50   469.000  1.400
   49    58   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    56   450.000  1.364
   55    58   469.000  1.400
   55    60   317.000  1.510
   58    59   367.000  1.080
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   553.000  0.945
   42    43   434.000  1.010
   42    44   434.000  1.010
   39    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  118.28000
   33    38    40    70.00000  124.00000
   33    38    42    75.00000  116.24600
   33    39    45    62.00000   98.90000
   38    33    34    85.00000  110.90400
   38    40    41    65.00000  137.10300
   38    40    49    60.00000  123.20500
   38    42    43    35.00000  114.50000
   38    42    44    35.00000  114.50000
   40    49    50    60.00000  120.93500
   40    49    58    60.00000  120.93500
   49    40    41    85.00000  114.86500
   49    50    51    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    58    55    63.00000  120.00000
   49    58    59    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    56    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    55    60    70.00000  120.00000
   54    56    57    35.00000  113.00000
   55    58    59    35.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   58    49    50    63.00000  120.00000
   60    55    58    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  120.00000
   42    38    40    70.00000  124.03900
   44    42    43    35.00000  109.00000
   39    33    34    85.00000  114.68000
   39    33    38    75.00000  112.20000
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    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    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   29    33    39    45   0.08500  1.0 1.0
   29    33    39    45  -0.53150 -1.0 2.0
   29    33    39    45   0.48050  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    49   7.00000 -1.0 2.0
   33    38    42    43   2.40850 -1.0 2.0
   33    38    42    44   2.40850 -1.0 2.0
   33    39    45    46   0.32350  1.0 3.0
   33    39    45    47   0.32350  1.0 3.0
   33    39    45    48   0.32350  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    38    42   0.09700  1.0 1.0
   34    33    38    42   0.15600 -1.0 2.0
   34    33    38    42  -0.50800  1.0 3.0
   34    33    39    45   0.13850  1.0 1.0
   34    33    39    45  -1.34450 -1.0 2.0
   34    33    39    45   0.57400  1.0 3.0
   38    33    39    45  -0.62250  1.0 1.0
   38    33    39    45  -0.38450 -1.0 2.0
   38    33    39    45   0.81900  1.0 3.0
   38    40    49    50   0.15800  1.0 1.0
   38    40    49    50   1.85350 -1.0 2.0
   38    40    49    50  -0.48700  1.0 3.0
   38    40    49    58   0.15800  1.0 1.0
   38    40    49    58   1.85350 -1.0 2.0
   38    40    49    58  -0.48700  1.0 3.0
   40    38    42    43   1.00000 -1.0 2.0
   40    38    42    44   1.00000 -1.0 2.0
   40    49    50    51   3.62500 -1.0 2.0
   40    49    50    52   3.62500 -1.0 2.0
   40    49    58    55   3.62500 -1.0 2.0
   40    49    58    59   3.62500 -1.0 2.0
   41    40    49    50  -0.01750  1.0 1.0
   41    40    49    50  -0.32000 -1.0 2.0
   41    40    49    50   0.00600  1.0 3.0
   41    40    49    58  -0.01750  1.0 1.0
   41    40    49    58  -0.32000 -1.0 2.0
   41    40    49    58   0.00600  1.0 3.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    54   3.62500 -1.0 2.0
   50    49    58    55   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    52   -54    55   3.62500 -1.0 2.0
   50    52    54    56   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    58   3.62500 -1.0 2.0
   52    54    55    60   3.62500 -1.0 2.0
   52    54    56    57   0.84100 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    55   -58    49   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   55    54    56    57   0.84100 -1.0 2.0
   58    49    50    51   3.62500 -1.0 2.0
   58    49   -50    52   3.62500 -1.0 2.0
   58    55    60    61   0.00000  1.0 1.0
   58    55    60    62   0.00000  1.0 1.0
   58    55    60    63   0.00000  1.0 1.0
   60    55    58    49   3.62500 -1.0 2.0
   60    55    58    59   3.62500 -1.0 2.0
   56    54    55    58   3.62500 -1.0 2.0
   56    54    55    60   3.62500 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    49   7.00000 -1.0 2.0
   39    33    38    40   0.42700  1.0 1.0
   39    33    38    40  -0.70350 -1.0 2.0
   39    33    38    40  -0.43150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  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    42    38    40  15.00000 -1.0 2.0
   49    41    40    38  15.00000 -1.0 2.0
   50    58    49    40   4.00000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    56    54    52   4.00000 -1.0 2.0
   58    60    55    54   4.00000 -1.0 2.0
   55    59    58    49   1.10000 -1.0 2.0
   44    38    42    43   1.00000 -1.0 2.0
END
