* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    130    182     370
    1     0 S   NP   _N1_     1    28.11569    96.31253   -23.71510
    2     1 S   H    _HN1     2     1.02957    77.86190    -3.62882
    3     1 S   H    _H1_     3     1.02835    30.94736   156.70927
    4     1 S   H    _H2_     4     1.02776   108.49408  -109.14572
    5     1 S   CT   _CA1     5     1.50139   132.43239   102.99348
    6     5 S   HC   _HA1     6     1.09574   105.20184    85.48448
    7     5 S   CO3  _C1_     7     1.53781   112.36835   -34.68922
    8     7 S   O2Z  _O11     8     1.26368   114.98683   -43.33282
    9     7 S   O2Z  _O12     9     1.26233   114.93449   135.71096
   10     5 S   CT   _CB1    10     1.53091   107.41652  -156.60085
   11    10 S   HC   HB11    11     1.09828   109.31939   -50.28216
   12    10 S   HC   HB12    12     1.09815   110.43208    66.27365
   13    10 S   CT   _CG1    13     1.53021   112.68418  -171.33950
   14    13 S   HC   HG11    14     1.09593   110.51444   -64.93081
   15    13 S   HC   HG12    15     1.09659   109.89701    54.27682
   16    13 S   C    _CD1    16     1.51845   112.29323   174.64408
   17    16 S   O    _OE1    17     1.22753   123.28289     1.69927
   18    16 S   N    _N2_    18     1.38547   111.72346  -178.31809
   19    18 S   H    _HN2    19     1.01559   119.07059     4.21254
   20    18 S   CT1  _CA2    20     1.45831   122.86703   177.80331
   21    20 S   HC   _HA2    21     1.09708   109.02361    25.00892
   22    20 S   C    _C2_    22     1.53028   106.92571   -92.27090
   23    22 S   O    _O2_    23     1.23006   123.03267   -24.89337
   24    20 S   CT   _CB2    32     1.53203   112.27549   148.35641
   25    24 S   HC   HB21    33     1.09441   109.44317    58.15042
   26    24 S   HC   HB22    34     1.09413   109.35843   176.58144
   27    22 S   N    _N3_    24     1.38489   112.69690   157.94614
   28    27 S   H    _HN3    25     1.01671   120.39036    -2.24977
   29    24 S   S    _SG2    35     1.82835   111.53490   -63.50851
   30    27 S   CT   _CA3    26     1.45347   122.32844   178.10432
   31    30 S   HC   HA31    27     1.09574   107.73696   -56.14695
   32    30 S   HC   HA32    28     1.09562   107.65432    60.13068
   33    29 S   CT   _C9_    36     1.86733   101.51346   170.70857
   34    30 S   CO3  _C3_    29     1.52847   114.44975  -178.14829
   35    34 S   O2Z  _O31    30     1.26310   116.09473    -3.85148
   36    34 S   O2Z  _O32    31     1.26452   114.38654   176.22161
   37    33 S   S    _S19    37     1.87138   107.75428   -71.28448
   38    33 S   CM   _C4_    46     1.53914   111.51703    53.64133
   39    37 S   CT   _C7_    38     1.81280    98.45566  -131.74727
   40    39 S   HC   _H21    39     1.09390   109.89184  -140.45630
   41    39 S   HC   _H22    40     1.09522   108.05374   102.29524
   42    38 S   CMA  _C5_    47     1.36975   127.52662    63.53896
   43    42 S   OM   _O13    48     1.26864   125.48565    -2.10626
   44    38 S   CO4  _C6_    60     1.49047   117.55218  -117.63044
   45    44 S   O    _O14    61     1.22134   124.05720   -86.65636
   46    39 S   CT   _C8_    41     1.51102   109.03107   -18.47022
   47    46 S   HC   _H23    42     1.09392   111.17522   166.47127
   48    46 S   HC   _H24    43     1.09452   112.12510   -72.56183
   49    42 S   OS   _O16    49     1.42089   112.21606  -179.77100
   50    44 S   OS   _O17    62     1.35802   108.20536    93.29580
   51    33 S   SZ   _S20    44     1.88855   109.38643   173.83553
   52    51 S   OZ   _O15    45     1.50221   108.57565    43.26922
   53    49 S   CT   _C14    50     1.43693   115.83810  -133.54117
   54    53 S   HC   _H37    51     1.09638   111.48022   -45.66885
   55    50 S   CT   _C15    63     1.43974   117.39879   178.90318
   56    55 S   HC   _H38    64     1.09660   110.11481    38.43410
   57    53 S   CT   _C10    52     1.52642   110.28154    77.37583
   58    57 S   HC   _H25    53     1.09555   110.96369    55.11423
   59    57 S   HC   _H26    54     1.09442   111.15668   176.15728
   60    57 S   HC   _H27    55     1.09492   111.01996   -63.41082
   61    53 S   CT   _C11    56     1.52592   106.56703  -163.02472
   62    61 S   HC   _H28    57     1.09584   111.05848   -58.58996
   63    61 S   HC   _H29    58     1.09426   111.36654  -179.95154
   64    61 S   HC   _H30    59     1.09550   110.30463    59.43487
   65    55 S   CT   _C12    65     1.52316   106.97813   156.61474
   66    65 S   HC   _H31    66     1.09577   111.04304    58.60503
   67    65 S   HC   _H32    67     1.09410   111.36519   180.00000
   68    65 S   HC   _H33    68     1.09553   110.31931   -59.32715
   69    55 S   CT   _C13    69     1.52379   109.35292   -83.12395
   70    69 S   HC   _H34    70     1.09569   110.93867   -55.89220
   71    69 S   HC   _H35    71     1.09421   111.23898  -177.12159
   72    69 S   HC   _H36    72     1.09498   110.82517    62.28491
  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   2   1   1  11  12   7   5   4  10   3   8   2   4   3   2
  10  10   1   1   9   8   9   8   7   3   2   1   3   2   1   1
   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    46    51    52    38    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    41    46    47    48    51    52    38    42    43    49    44    45    50  
   35    36  
   36  
    0  
   39    40    41    46    47    48    51    52    38    42    44  
   42    43    49    53    44    45    50    55    39    46    51    52  
   40    41    46    47    48    51    52  
   41    46    47    48    51  
   46    47    48    51  
   43    49    53    54    57    61    44    45    50    51  
   49    53    44  
   45    50    55    56    65    69    49    51  
   50    55  
   47    48    51    52  
   48    51    52  
   51    52  
   53    54    57    58    59    60    61    62    63    64  
   55    56    65    66    67    68    69    70    71    72  
   52  
    0  
   54    57    58    59    60    61    62    63    64  
   57    58    59    60    61    62    63    64  
   56    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    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   0.480000   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   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.025000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5600   0.3950   0.170000   2.0080   1.7800   0.025682759  -1.666211680
   52   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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    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   222.000  1.810
   33    51   340.000  1.853
   33    38   317.000  1.510
   37    39   222.000  1.810
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   340.000  1.853
   51    52   700.000  1.530
   38    42   465.000  1.376
   38    44   320.000  1.462
   42    43   745.000  1.250
   42    49   440.000  1.360
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    55   320.000  1.410
   55    56   340.000  1.090
   55    65   268.000  1.529
   55    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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  118.28000
   29    33    51    75.00000  118.00000
   29    33    38    75.00000  112.20000
   33    37    39    62.00000   98.90000
   33    51    46    62.00000   96.00000
   33    51    52    74.00000  107.00000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  116.34900
   37    39    40    35.00000  109.50000
   37    39    41    35.00000  109.50000
   37    39    46    75.00000  111.63000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    51    75.00000  107.60000
   41    39    40    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    41    37.50000  110.70000
   46    51    52    74.00000  107.00000
   48    46    47    33.00000  107.80000
   51    33    37    75.00000  118.00000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   38    33    37    75.00000  112.20000
   38    33    51    70.00000  113.14000
   38    42    43    65.00000  137.10300
   38    42    49    80.00000  120.01400
   38    44    45    80.00000  123.72100
   38    44    50    90.00000  111.29400
   42    49    53    90.00000  111.18400
   49    42    43    65.00000  121.00000
   49    53    54    35.00000  109.50000
   49    53    57    50.00000  109.50000
   49    53    61    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    64    37.50000  110.70000
   57    53    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   44    38    42    60.00000  125.92000
   44    50    55    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    55    56    35.00000  109.50000
   50    55    65    50.00000  109.50000
   50    55    69    50.00000  109.50000
   55    65    66    37.50000  110.70000
   55    65    67    37.50000  110.70000
   55    65    68    37.50000  110.70000
   55    69    70    37.50000  110.70000
   55    69    71    37.50000  110.70000
   55    69    72    37.50000  110.70000
   65    55    56    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    55    56    37.50000  110.70000
   69    55    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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   0.08500  1.0 1.0
   24    29    33    37  -0.53150 -1.0 2.0
   24    29    33    37   0.48050  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39   0.08500  1.0 1.0
   29    33    37    39  -0.53150 -1.0 2.0
   29    33    37    39   0.48050  1.0 3.0
   29    33    51    46   0.00000  1.0 1.0
   29    33    51    52   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.09700  1.0 1.0
   29    33    38    44   0.15600 -1.0 2.0
   29    33    38    44  -0.50800  1.0 3.0
   33    37    39    40   0.32350  1.0 3.0
   33    37    39    41   0.32350  1.0 3.0
   33    37   -39    46   0.01700  1.0 1.0
   33    37   -39    46  -0.23550 -1.0 2.0
   33    37   -39    46   0.21350  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    38    44    45  -0.64400  1.0 1.0
   33    38    44    45   0.26850 -1.0 2.0
   33    38    44    50  -0.15000  1.0 1.0
   33    38    44    50   0.89550 -1.0 2.0
   33    38    44    50  -0.06900  1.0 3.0
   37    33   -51    46   0.00000  1.0 1.0
   37    33    51    52   0.00000  1.0 1.0
   37    33    38    42   0.42700  1.0 1.0
   37    33    38    42  -0.70350 -1.0 2.0
   37    33    38    42  -0.43150  1.0 3.0
   37    33    38    44   0.09700  1.0 1.0
   37    33    38    44   0.15600 -1.0 2.0
   37    33    38    44  -0.50800  1.0 3.0
   37    39    46    47   0.15000  1.0 3.0
   37    39    46    48   0.15000  1.0 3.0
   37    39   -46    51   0.56750  1.0 1.0
   37    39   -46    51  -0.07550 -1.0 2.0
   37    39   -46    51   0.20000  1.0 3.0
   39    46   -51    33   0.00000  1.0 1.0
   39    46    51    52   0.00000  1.0 1.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    51   0.15000  1.0 3.0
   41    39    46    47   0.15000  1.0 3.0
   41    39    46    48   0.15000  1.0 3.0
   41    39    46    51   0.15000  1.0 3.0
   47    46    51    33   0.53150  1.0 3.0
   47    46    51    52  -0.07200  1.0 3.0
   48    46    51    33   0.53150  1.0 3.0
   48    46    51    52  -0.07200  1.0 3.0
   51    33   -37    39   0.01700  1.0 1.0
   51    33   -37    39  -0.23550 -1.0 2.0
   51    33   -37    39   0.21350  1.0 3.0
   51    33    38    42   0.09700  1.0 1.0
   51    33    38    42   0.15600 -1.0 2.0
   51    33    38    42  -0.50800  1.0 3.0
   51    33    38    44   0.09700  1.0 1.0
   51    33    38    44   0.15600 -1.0 2.0
   51    33    38    44  -0.50800  1.0 3.0
   38    33    37    39  -0.62250  1.0 1.0
   38    33    37    39  -0.38450 -1.0 2.0
   38    33    37    39   0.81900  1.0 3.0
   38    33    51    46   0.00000  1.0 1.0
   38    33    51    52   0.00000  1.0 1.0
   38    42    49    53  -2.26850  1.0 1.0
   38    42    49    53   3.39050 -1.0 2.0
   38    44    50    55   2.00000 -1.0 2.0
   42    38    44    45   1.00000 -1.0 2.0
   42    38    44    50  -0.56150  1.0 1.0
   42    38    44    50   2.19150 -1.0 2.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    57  -0.46850  1.0 1.0
   42    49    53    57   0.09300 -1.0 2.0
   42    49    53    57  -0.12850  1.0 3.0
   42    49    53    61  -0.46850  1.0 1.0
   42    49    53    61   0.09300 -1.0 2.0
   42    49    53    61  -0.12850  1.0 3.0
   43    42    49    53   2.00000 -1.0 2.0
   49    53    57    58   0.23400  1.0 3.0
   49    53    57    59   0.23400  1.0 3.0
   49    53    57    60   0.23400  1.0 3.0
   49    53    61    62   0.23400  1.0 3.0
   49    53    61    63   0.23400  1.0 3.0
   49    53    61    64   0.23400  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    64   0.15000  1.0 3.0
   57    53    61    62   0.15000  1.0 3.0
   57    53    61    63   0.15000  1.0 3.0
   57    53    61    64   0.15000  1.0 3.0
   61    53    57    58   0.15000  1.0 3.0
   61    53    57    59   0.15000  1.0 3.0
   61    53    57    60   0.15000  1.0 3.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    49   7.00000 -1.0 2.0
   44    50    55    56   0.08050  1.0 3.0
   44    50    55    65  -0.25900  1.0 1.0
   44    50    55    65  -0.47000 -1.0 2.0
   44    50    55    65   0.11750  1.0 3.0
   44    50    55    69  -0.25900  1.0 1.0
   44    50    55    69  -0.47000 -1.0 2.0
   44    50    55    69   0.11750  1.0 3.0
   45    44    50    55   3.00000 -1.0 2.0
   50    55    65    66   0.23400  1.0 3.0
   50    55    65    67   0.23400  1.0 3.0
   50    55    65    68   0.23400  1.0 3.0
   50    55    69    70   0.23400  1.0 3.0
   50    55    69    71   0.23400  1.0 3.0
   50    55    69    72   0.23400  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    68   0.15000  1.0 3.0
   56    55    69    70   0.15000  1.0 3.0
   56    55    69    71   0.15000  1.0 3.0
   56    55    69    72   0.15000  1.0 3.0
   65    55    69    70   0.15000  1.0 3.0
   65    55    69    71   0.15000  1.0 3.0
   65    55    69    72   0.15000  1.0 3.0
   69    55    65    66   0.15000  1.0 3.0
   69    55    65    67   0.15000  1.0 3.0
   69    55    65    68   0.15000  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    44    38    42  15.00000 -1.0 2.0
   43    49    42    38  15.00000 -1.0 2.0
   38    50    44    45  10.50000 -1.0 2.0
END
