* LIGAND DATABASE FILE (OPLS2005)
*
001      60    61    110    170     323
    1     0 S   NP   _N1_     1    30.36982    98.53548   -25.13364
    2     1 S   H    _HN1     2     1.03479   156.72762  -123.67057
    3     1 S   H    _H1_     3     1.02852    63.61569   -49.46982
    4     1 S   H    _H2_     4     1.02753    58.88750   177.06262
    5     1 S   CT   _CA1     5     1.50099    91.42929    63.19975
    6     5 S   HC   _HA1     6     1.09547   104.87739   116.47742
    7     5 S   CO3  _C1_     7     1.53660   113.27929    -4.12022
    8     7 S   O2Z  _O11     8     1.26404   115.08432   -33.07003
    9     7 S   O2Z  _O12     9     1.26236   115.02905   146.23718
   10     5 S   CT   _CB1    10     1.53012   107.42629  -125.09690
   11    10 S   HC   HB11    11     1.09550   109.44070   -39.76322
   12    10 S   HC   HB12    12     1.09837   110.43903    75.82127
   13    10 S   CT   _CG1    13     1.53245   113.01043  -162.33308
   14    13 S   HC   HG11    14     1.09547   110.90216   -94.83247
   15    13 S   HC   HG12    15     1.09608   111.59259    24.46067
   16    13 S   C    _CD1    16     1.51551   109.30872   145.14205
   17    16 S   O    _OE1    17     1.22806   121.84155    86.31042
   18    16 S   N    _N2_    18     1.38567   112.49260   -90.26842
   19    18 S   H    _HN2    19     1.01578   119.12762    -5.19509
   20    18 S   CT1  _CA2    20     1.46197   123.62258   173.38568
   21    20 S   HC   _HA2    21     1.09711   109.23060    -9.53358
   22    20 S   C    _C2_    22     1.53836   108.87291  -125.32960
   23    22 S   O    _O2_    23     1.23082   122.08910  -156.76687
   24    20 S   CT   _CB2    32     1.53497   111.69913   112.88448
   25    24 S   HC   HB21    33     1.09433   109.15660    57.34920
   26    24 S   HC   HB22    34     1.09445   109.87685   175.78281
   27    22 S   N    _N3_    24     1.38339   114.04960    29.93432
   28    27 S   H    _HN3    25     1.01439   119.09518    -1.94622
   29    24 S   S    _SG2    35     1.83044   111.56882   -64.44912
   30    27 S   CT   _CA3    26     1.45319   123.42880   178.22535
   31    30 S   HC   HA31    27     1.09550   107.20773   -70.53173
   32    30 S   HC   HA32    28     1.09557   108.23087    45.83072
   33    29 S   CT   _C8_    36     1.88493   101.52743   169.68392
   34    30 S   CO3  _C3_    29     1.53043   114.39887   167.96402
   35    34 S   O2Z  _O31    30     1.26428   116.36398    -5.01700
   36    34 S   O2Z  _O32    31     1.26409   114.42956   175.09667
   37    33 S   CM   _C12    37     1.51175   106.55636    65.78030
   38    37 S   CM   _C13    38     1.33856   121.51446  -111.51994
   39    38 S   HC   _H12    39     1.08408   123.88409   177.90688
   40    37 S   CO4  _C11    52     1.47670   121.23602    71.00068
   41    40 S   O    _O35    53     1.22650   122.54201  -158.28582
   42    38 S   NE   _N4_    40     1.36433   122.85825    -4.28245
   43    42 S   H    _H13    41     1.01530   116.65750   178.82964
   44    40 S   OS   _O34    54     1.35496   116.04792    23.71083
   45    42 S   CT   _C5_    42     1.45270   123.07196   -19.62272
   46    45 S   HC   _H3_    43     1.09733   106.90699   153.21245
   47    44 S   CT   _C10    55     1.44284   124.88280    -8.02984
   48    47 S   HC   _H10    56     1.09508   107.29414  -105.22994
   49    47 S   HC   _H11    57     1.09543   107.03554   140.76386
   50    33 S   CM   _C6_    44     1.55561   109.71843   -58.66296
   51    45 S   CT   _C4_    48     1.53160   108.77080   -89.98228
   52    51 S   HC   _H4_    49     1.09609   111.72210    63.22311
   53    51 S   HC   _H5_    50     1.09592   110.63360   -56.34228
   54    51 S   HC   _H6_    51     1.09524   111.30456  -176.08383
   55    33 S   CT   _C9_    58     1.53691   110.35915   179.45320
   56    55 S   HC   _H8_    59     1.09997   108.84861  -179.98022
   57    55 S   HC   _H9_    60     1.09600   112.59639    62.97180
   58    50 S   CMA  _C7_    45     1.36188   124.61657   -55.72712
   59    58 S   OM   _O33    46     1.25944   134.12516    -0.21029
   60    58 S   HC   _H7_    47     1.09280   112.19089  -179.62885
  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  11   5   4   3
  20   2   1   1  14  11   4   8   2   9   4   6  10   6   6   4
   3  10   4   2   1   1   3   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    50    58    40    47    55    56    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    46    50    58    59    60    51    40    41    44    47    48    49    55    56    57  
   35    36  
   36  
    0  
   38    39    42    43    45    50    58    40    41    44    47    55    56    57  
   39    42    43    45    46    50    51    40    41    44    55  
   42    43    45    40  
   41    44    47    48    49    55    42    50  
   44    47  
   43    45    46    50    58    51    52    53    54  
   45    46    50    51  
   47    48    49    55    56    57  
   46    50    58    59    60    51    52    53    54    55  
   50    58    51    52    53    54  
   48    49    55    56    57    50  
   49    55    56    57  
   55    56    57  
   58    59    60    51    52    53    54    55    56    57  
   52    53    54    58  
   53    54  
   54  
    0  
   56    57    58  
   57  
    0  
   59    60  
   60  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   60   2.5000   0.0500  -0.062100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    50   317.000  1.510
   33    55   268.000  1.529
   37    38   549.000  1.340
   37    40   320.000  1.462
   38    39   340.000  1.080
   38    42   425.000  1.378
   42    43   434.000  1.010
   42    45   382.000  1.448
   45    46   340.000  1.090
   45    50   317.000  1.510
   45    51   268.000  1.529
   50    58   465.000  1.376
   58    59   745.000  1.250
   58    60   335.000  1.111
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    50    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  116.34900
   33    50    45    65.00000  117.92700
   33    50    58    70.00000  124.00000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    42    70.00000  124.03900
   37    40    41    80.00000  123.72100
   37    40    44    90.00000  111.29400
   38    42    43    35.00000  114.50000
   38    42    45    50.00000  121.00000
   42    38    39    50.00000  112.30800
   42    45    46    35.00000  109.50000
   42    45    50    80.00000  112.42400
   42    45    51    80.00000  111.61500
   45    42    43    35.00000  112.50000
   45    50    58    70.00000  124.00000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   50    33    37    70.00000  110.12100
   50    45    46    35.00000  109.50000
   50    58    59    65.00000  137.10300
   50    58    60    45.00000  105.30000
   60    58    59    50.00000  124.16400
   51    45    46    37.50000  110.70000
   51    45    50    70.00000  112.02700
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    37    38    65.00000  118.96000
   40    44    47    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    55    50.00000  109.50000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   49    47    48    33.00000  107.80000
   55    33    37    70.00000  112.02700
   55    33    50    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   57    55    56    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    50    45   0.30250  1.0 1.0
   29    33    50    45  -0.14950 -1.0 2.0
   29    33    50    45   0.36900  1.0 3.0
   29    33    50    58   0.42700  1.0 1.0
   29    33    50    58  -0.70350 -1.0 2.0
   29    33    50    58  -0.43150  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41  -0.64400  1.0 1.0
   33    37    40    41   0.26850 -1.0 2.0
   33    37    40    44  -0.15000  1.0 1.0
   33    37    40    44   0.89550 -1.0 2.0
   33    37    40    44  -0.06900  1.0 3.0
   33    50    58    59   7.00000 -1.0 2.0
   33    50    58    60   7.00000 -1.0 2.0
   37    33    50    45   0.09700  1.0 1.0
   37    33    50    45   0.15600 -1.0 2.0
   37    33    50    45  -0.50800  1.0 3.0
   37    33    50    58  -0.28300  1.0 1.0
   37    33    50    58   0.26700 -1.0 2.0
   37    33    50    58  -0.63300  1.0 3.0
   37    33    55    47   0.34400  1.0 1.0
   37    33    55    47   0.09450 -1.0 2.0
   37    33    55    47   0.11100  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    38    42    43   1.00000 -1.0 2.0
   37    38   -42    45  -0.54700  1.0 1.0
   37    38   -42    45   1.23000 -1.0 2.0
   37    40   -44    47   2.00000 -1.0 2.0
   38    37    40    41   1.00000 -1.0 2.0
   38    37    40    44  -0.56150  1.0 1.0
   38    37    40    44   2.19150 -1.0 2.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    50  -0.12500  1.0 1.0
   38    42    45    50  -0.12500 -1.0 2.0
   38    42    45    50   0.25000  1.0 3.0
   38    42    45    51   0.25450  1.0 1.0
   38    42    45    51  -0.61700 -1.0 2.0
   38    42    45    51  -0.23550  1.0 3.0
   39    38    42    43   1.00000 -1.0 2.0
   39    38    42    45   0.00000  1.0 1.0
   42    45   -50    33   0.09700  1.0 1.0
   42    45   -50    33   0.15600 -1.0 2.0
   42    45   -50    33  -0.50800  1.0 3.0
   42    45    50    58   0.62150  1.0 1.0
   42    45    50    58   0.42850 -1.0 2.0
   42    45    50    58  -0.68200  1.0 3.0
   42    45    51    52   0.22950  1.0 3.0
   42    45    51    53   0.22950  1.0 3.0
   42    45    51    54   0.22950  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    50  -0.12500  1.0 1.0
   43    42    45    50  -0.12500 -1.0 2.0
   43    42    45    50   0.25000  1.0 3.0
   43    42    45    51   0.00000  1.0 1.0
   45    50    58    59   7.00000 -1.0 2.0
   45    50    58    60   7.00000 -1.0 2.0
   46    45    50    33   0.34800  1.0 3.0
   46    45    50    58   0.00000  1.0 1.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   50    33   -37    38  -0.28300  1.0 1.0
   50    33   -37    38   0.26700 -1.0 2.0
   50    33   -37    38  -0.63300  1.0 3.0
   50    33    37    40   0.09700  1.0 1.0
   50    33    37    40   0.15600 -1.0 2.0
   50    33    37    40  -0.50800  1.0 3.0
   50    33    55    47   0.34400  1.0 1.0
   50    33    55    47   0.09450 -1.0 2.0
   50    33    55    47   0.11100  1.0 3.0
   50    33    55    56   0.15000  1.0 3.0
   50    33    55    57   0.15000  1.0 3.0
   50    45    51    52   0.15000  1.0 3.0
   50    45    51    53   0.15000  1.0 3.0
   50    45    51    54   0.15000  1.0 3.0
   51    45    50    33   0.46850  1.0 1.0
   51    45    50    33   0.08550 -1.0 2.0
   51    45    50    33   0.09800  1.0 3.0
   51    45    50    58   0.09850  1.0 1.0
   51    45    50    58   0.15250 -1.0 2.0
   51    45    50    58  -0.50650  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    49   0.08050  1.0 3.0
   40    44    47    55  -0.25900  1.0 1.0
   40    44    47    55  -0.47000 -1.0 2.0
   40    44    47    55   0.11750  1.0 3.0
   41    40    44    47   3.00000 -1.0 2.0
   44    47   -55    33   0.62750  1.0 1.0
   44    47   -55    33  -0.30950 -1.0 2.0
   44    47   -55    33   0.27300  1.0 3.0
   44    47    55    56   0.23400  1.0 3.0
   44    47    55    57   0.23400  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   49    47    55    33   0.15000  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    57   0.15000  1.0 3.0
   55    33    37    38   0.09850  1.0 1.0
   55    33    37    38   0.15250 -1.0 2.0
   55    33    37    38  -0.50650  1.0 3.0
   55    33   -37    40   0.09700  1.0 1.0
   55    33   -37    40   0.15600 -1.0 2.0
   55    33   -37    40  -0.50800  1.0 3.0
   55    33    50    45   0.46850  1.0 1.0
   55    33    50    45   0.08550 -1.0 2.0
   55    33    50    45   0.09800  1.0 3.0
   55    33    50    58   0.09850  1.0 1.0
   55    33    50    58   0.15250 -1.0 2.0
   55    33    50    58  -0.50650  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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   43    38    42    45   1.00000 -1.0 2.0
   33    45    50    58   1.10000 -1.0 2.0
   59    60    58    50   1.10000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
END
