* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    119    183     346
    1     0 S   NP   _N1_     1    28.75314    96.06642   -20.68232
    2     1 S   H    _HN1     2     1.02958    84.32704    27.39844
    3     1 S   H    _H1_     3     1.02838    39.55449   152.99316
    4     1 S   H    _H2_     4     1.02777    85.48797   -81.57547
    5     1 S   CT   _CA1     5     1.50090   150.24930   149.54550
    6     5 S   HC   _HA1     6     1.09572   105.25590    61.45016
    7     5 S   CO3  _C1_     7     1.53724   112.48640   -58.83745
    8     7 S   O2Z  _O11     8     1.26350   115.01184   -42.14810
    9     7 S   O2Z  _O12     9     1.26217   114.89603   137.22099
   10     5 S   CT   _CB1    10     1.53070   107.47638   179.45320
   11    10 S   HC   HB11    11     1.09819   109.30751   -50.66342
   12    10 S   HC   HB12    12     1.09825   110.42000    65.89529
   13    10 S   CT   _CG1    13     1.52991   112.68037  -171.81125
   14    13 S   HC   HG11    14     1.09531   110.42807   -63.23038
   15    13 S   HC   HG12    15     1.09645   110.06742    55.94008
   16    13 S   C    _CD1    16     1.51759   112.27444   176.11899
   17    16 S   O    _OE1    17     1.22723   123.23120    -7.25090
   18    16 S   N    _N2_    18     1.38575   111.62511   173.45282
   19    18 S   H    _HN2    19     1.01589   119.04183     0.15949
   20    18 S   CT1  _CA2    20     1.46203   123.40036  -179.82754
   21    20 S   HC   _HA2    21     1.09728   109.44122   -10.17061
   22    20 S   C    _C2_    22     1.53440   108.35482  -125.85064
   23    22 S   O    _O2_    23     1.23020   122.23626  -146.35503
   24    20 S   CT   _CB2    32     1.53274   111.26158   111.96487
   25    24 S   HC   HB21    33     1.09460   109.63789    56.26099
   26    24 S   HC   HB22    34     1.09519   110.69276   174.33607
   27    22 S   N    _N3_    24     1.38509   113.40623    41.03444
   28    27 S   H    _HN3    25     1.01521   118.89486    -0.72308
   29    24 S   S    _SG2    35     1.82838   111.67651   -66.66313
   30    27 S   CT   _CA3    26     1.45455   123.53975   175.14566
   31    30 S   HC   HA31    27     1.09517   109.34044    22.34869
   32    30 S   HC   HA32    28     1.09499   107.09570   139.36665
   33    29 S   CT   _C18    36     1.86453    99.89662   140.29392
   34    33 S   HC   _H3_    37     1.09845   105.85919    35.22301
   35    30 S   CO3  _C3_    29     1.52918   113.04124  -101.20295
   36    35 S   O2Z  _O31    30     1.26407   115.37727   -45.07691
   37    35 S   O2Z  _O32    31     1.26350   115.00017   135.84036
   38    33 S   CA   _C13    38     1.53119   108.55533   -81.28487
   39    33 S   CT   _C17    51     1.58048   110.72492   153.17436
   40    39 S   OM   _O17    52     1.32823   108.62695  -173.97091
   41    39 S   HC   _H33    53     1.10123   105.14907    58.20887
   42    38 S   CA   _C4_    39     1.40661   121.79323   -68.59429
   43    42 S   HA   _H22    40     1.08727   120.42285     0.63118
   44    39 S   CA   _C12    54     1.53785   113.42194   -56.19121
   45    42 S   CA   _C8_    41     1.39650   120.92711  -179.15373
   46    45 S   HA   _H26    42     1.08660   119.03905   179.93147
   47    44 S   CA   _C6_    55     1.40491   119.21163   133.49082
   48    47 S   HA   _H24    56     1.08738   120.24501     0.16071
   49    45 S   CA   _C14    43     1.39545   119.12962    -0.33920
   50    47 S   CA   _C10    57     1.39723   120.88897  -179.74512
   51    50 S   HA   _H28    58     1.08724   119.18282   179.78971
   52    49 S   CA   _C9_    44     1.39597   121.19033    -0.17359
   53    52 S   HA   _H27    45     1.08644   121.86610   179.47474
   54    49 S   NO2  _N16    48     1.45571   119.49931   179.05976
   55    54 S   ON   _O18    49     1.23862   117.58821   -28.58900
   56    54 S   ON   _O19    50     1.23895   117.53250   152.28189
   57    50 S   CA   _C15    59     1.39700   120.64594    -0.26319
   58    38 S   CA   _C5_    46     1.40571   119.54799   111.71084
   59    58 S   HA   _H23    47     1.08759   120.22266     0.00000
   60    57 S   CA   _C11    60     1.39512   119.13828    -0.20077
   61    60 S   HA   _H29    61     1.08531   121.96269  -179.60238
   62    57 S   OS   _O20    64     1.36955   114.97901   179.96044
   63    44 S   CA   _C7_    62     1.40634   122.88522   -46.98334
   64    63 S   HA   _H25    63     1.08694   120.46958    -0.72712
   65    62 S   CT   _C16    65     1.42263   116.73925  -179.93439
   66    65 S   HC   _H30    66     1.09429   107.75239   179.83568
   67    65 S   HC   _H31    67     1.09503   111.14675    62.07681
   68    65 S   HC   _H32    68     1.09502   111.13388   -62.41618
  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
  14   7   2   1   1  13  11   4   3   8   4   9   8   3   8   4
   7   7   3   6   3   3   1   1   9   1   1   5   3   5   1   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    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    45    52    58    59    39    40    41    44    47    63  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    45    46    49    52    53    58    59    39    40    41    44  
   40    41    44    47    48    50    60    63    64    42    58  
   41    44    47    63  
   44    47    63  
   43    45    46    49    52    58    59    54  
   45    46    49    58  
   47    48    50    51    57    60    61    63    64  
   46    49    52    53    58    54    55    56  
   49    52    54  
   48    50    51    57    60    63    64    62  
   50    51    57    63  
   52    53    58    59    54    55    56  
   51    57    60    61    63    62    65  
   57    60    62  
   53    58    59    54    55    56  
   58    59    54  
   55    56    58  
   56  
    0  
   60    61    63    64    62    65    66    67    68  
   59  
    0  
   61    63    64    62    65  
   63    64    62  
   65    66    67    68    63  
   64  
    0  
   66    67    68  
   67    68  
   68  
    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   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.090000   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   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    52   469.000  1.400
   49    54   400.000  1.460
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   54    55   550.000  1.225
   54    56   550.000  1.225
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    47   469.000  1.400
   44    63   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    60   469.000  1.400
   57    62   450.000  1.364
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    64   367.000  1.080
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  112.17500
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    45    63.00000  120.00000
   38    58    52    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    49    63.00000  120.00000
   45    42    43    35.00000  120.00000
   45    49    52    63.00000  120.00000
   45    49    54    85.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    58    63.00000  120.00000
   49    54    55    80.00000  117.50000
   49    54    56    80.00000  117.50000
   52    58    59    35.00000  120.00000
   58    38    42    63.00000  120.00000
   58    52    53    35.00000  120.00000
   54    49    52    85.00000  120.00000
   56    54    55    80.00000  125.30000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    47    70.00000  120.00000
   39    44    63    70.00000  120.00000
   41    39    40    45.00000  125.66300
   44    39    40    85.00000  111.85700
   44    39    41    35.00000  109.50000
   44    47    48    35.00000  120.00000
   44    47    50    63.00000  120.00000
   44    63    60    63.00000  120.00000
   44    63    64    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    57    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    57    60    63.00000  120.00000
   50    57    62    70.00000  120.00000
   57    50    51    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    63    63.00000  120.00000
   57    62    65    75.00000  111.00000
   60    63    64    35.00000  120.00000
   63    44    47    63.00000  120.00000
   63    60    61    35.00000  120.00000
   62    57    60    70.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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   0.32350  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   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   0.56750  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    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    45   3.62500 -1.0 2.0
   33    38    58    52   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    47   0.04150 -1.0 2.0
   33    39    44    63   0.04150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.43200  1.0 3.0
   38    33    39    40  -0.64350  1.0 1.0
   38    33    39    40  -0.04200 -1.0 2.0
   38    33    39    40   0.19800  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44  -0.94300  1.0 1.0
   38    33    39    44   1.32550 -1.0 2.0
   38    33    39    44  -0.07100  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    49   3.62500 -1.0 2.0
   42    38    58    52   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    45   -49    52   3.62500 -1.0 2.0
   42    45    49    54   3.62500 -1.0 2.0
   43    42    45    46   3.62500 -1.0 2.0
   43    42    45    49   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    58   3.62500 -1.0 2.0
   45    49    54    55   0.69950 -1.0 2.0
   45    49    54    56   0.69950 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    52   -58    38   3.62500 -1.0 2.0
   49    52    58    59   3.62500 -1.0 2.0
   52    49    54    55   0.69950 -1.0 2.0
   52    49    54    56   0.69950 -1.0 2.0
   53    52    58    38   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    45   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    47    48   3.62500 -1.0 2.0
   39    44    47    50   3.62500 -1.0 2.0
   39    44    63    60   3.62500 -1.0 2.0
   39    44    63    64   3.62500 -1.0 2.0
   40    39    44    47   0.64500  1.0 1.0
   40    39    44    47   0.14800 -1.0 2.0
   40    39    44    47   0.20650  1.0 3.0
   40    39    44    63   0.64500  1.0 1.0
   40    39    44    63   0.14800 -1.0 2.0
   40    39    44    63   0.20650  1.0 3.0
   41    39    44    47   0.00000  1.0 1.0
   41    39    44    63   0.00000  1.0 1.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    57   3.62500 -1.0 2.0
   47    44    63    60   3.62500 -1.0 2.0
   47    44    63    64   3.62500 -1.0 2.0
   47    50   -57    60   3.62500 -1.0 2.0
   47    50    57    62   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    57   3.62500 -1.0 2.0
   50    57    60    61   3.62500 -1.0 2.0
   50    57    60    63   3.62500 -1.0 2.0
   50    57    62    65   1.63200 -1.0 2.0
   51    50    57    60   3.62500 -1.0 2.0
   51    50    57    62   3.62500 -1.0 2.0
   57    60   -63    44   3.62500 -1.0 2.0
   57    60    63    64   3.62500 -1.0 2.0
   57    62    65    66   0.08050  1.0 3.0
   57    62    65    67   0.08050  1.0 3.0
   57    62    65    68   0.08050  1.0 3.0
   60    57    62    65   1.63200 -1.0 2.0
   61    60    63    44   3.62500 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   63    44    47    48   3.62500 -1.0 2.0
   63    44   -47    50   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    63   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   42    58    38    33   4.00000 -1.0 2.0
   45    43    42    38   1.10000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   52    54    49    45   4.00000 -1.0 2.0
   58    53    52    49   1.10000 -1.0 2.0
   52    59    58    38   1.10000 -1.0 2.0
   56    49    54    55  10.50000 -1.0 2.0
   47    63    44    39   4.00000 -1.0 2.0
   50    48    47    44   1.10000 -1.0 2.0
   57    51    50    47   1.10000 -1.0 2.0
   60    62    57    50   4.00000 -1.0 2.0
   63    61    60    57   1.10000 -1.0 2.0
   60    64    63    44   1.10000 -1.0 2.0
END
