* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    130    182     370
    1     0 S   NP   _N1_     1    28.06071    97.43479   -21.74643
    2     1 S   H    _HN1     2     1.02957    70.62029    -1.22301
    3     1 S   H    _H1_     3     1.02835    42.20927   147.02170
    4     1 S   H    _H2_     4     1.02776    99.98231  -107.29334
    5     1 S   CT   _CA1     5     1.50137   144.61249    96.96405
    6     5 S   HC   _HA1     6     1.09575   105.20373    92.59242
    7     5 S   CO3  _C1_     7     1.53782   112.36509   -27.57981
    8     7 S   O2Z  _O11     8     1.26367   114.98965   -43.47715
    9     7 S   O2Z  _O12     9     1.26234   114.93400   135.57448
   10     5 S   CT   _CB1    10     1.53092   107.41593  -149.49860
   11    10 S   HC   HB11    11     1.09828   109.31908   -50.35212
   12    10 S   HC   HB12    12     1.09815   110.43172    66.20265
   13    10 S   CT   _CG1    13     1.53021   112.68347  -171.41416
   14    13 S   HC   HG11    14     1.09593   110.50525   -64.83847
   15    13 S   HC   HG12    15     1.09659   109.90198    54.36624
   16    13 S   C    _CD1    16     1.51849   112.30111   174.73032
   17    16 S   O    _OE1    17     1.22752   123.27195     1.33911
   18    16 S   N    _N2_    18     1.38549   111.71558  -178.71093
   19    18 S   H    _HN2    19     1.01565   119.01325     4.56549
   20    18 S   CT1  _CA2    20     1.45835   122.90252   177.61427
   21    20 S   HC   _HA2    21     1.09748   108.92257    23.24705
   22    20 S   C    _C2_    22     1.52860   107.11114   -93.64281
   23    22 S   O    _O2_    23     1.22970   123.03112   -28.57786
   24    20 S   CT   _CB2    32     1.53193   112.05848   146.42584
   25    24 S   HC   HB21    33     1.09484   110.08269    51.06802
   26    24 S   HC   HB22    34     1.09392   109.64652   169.99496
   27    22 S   N    _N3_    24     1.38520   112.48654   153.90558
   28    27 S   H    _HN3    25     1.01667   120.33724    -0.68070
   29    24 S   S    _SG2    35     1.82899   110.28590   -70.27235
   30    27 S   CT   _CA3    26     1.45331   122.53467   178.75165
   31    30 S   HC   HA31    27     1.09559   107.50417   -63.64873
   32    30 S   HC   HA32    28     1.09568   107.92074    52.69105
   33    29 S   CT   _C9_    36     1.86519   101.64730   173.32209
   34    30 S   CO3  _C3_    29     1.52907   114.33887   174.77749
   35    34 S   O2Z  _O31    30     1.26334   116.09861     1.78268
   36    34 S   O2Z  _O32    31     1.26459   114.39323  -178.14607
   37    33 S   S    _S19    37     1.87051   107.10583   -76.22934
   38    33 S   CM   _C4_    46     1.53798   111.83069    48.60969
   39    37 S   CT   _C7_    38     1.81096    98.51871  -127.74537
   40    39 S   HC   _H21    39     1.09391   109.85983  -143.47223
   41    39 S   HC   _H22    40     1.09519   108.17792    99.17595
   42    38 S   CMA  _C5_    47     1.37001   127.88082    61.43171
   43    42 S   OM   _O13    48     1.27088   125.52376   178.66690
   44    38 S   CO4  _C6_    60     1.49273   117.25771  -117.18269
   45    44 S   O    _O14    61     1.22174   123.94731    87.28449
   46    39 S   CT   _C8_    41     1.50998   108.81083   -21.65539
   47    46 S   HC   _H23    42     1.09402   111.09799   167.63300
   48    46 S   HC   _H24    43     1.09364   112.24929   -71.55544
   49    42 S   OS   _O16    49     1.41722   111.29608    -0.62714
   50    44 S   OS   _O17    62     1.35970   108.38844   -91.12920
   51    33 S   SZ   _S20    44     1.88958   109.35768   168.61154
   52    51 S   OZ   _O15    45     1.50203   108.62784    39.35382
   53    49 S   CT   _C14    50     1.43672   117.88377  -154.18632
   54    53 S   HC   _H37    51     1.09639   111.28317   -45.95096
   55    50 S   CT   _C15    63     1.44049   116.98860   178.59835
   56    55 S   HC   _H38    64     1.09670   110.22735   -36.23714
   57    53 S   CT   _C10    52     1.52709   110.72675    77.58235
   58    57 S   HC   _H25    53     1.09515   111.07239    56.57236
   59    57 S   HC   _H26    54     1.09451   111.05081   177.36003
   60    57 S   HC   _H27    55     1.09451   111.28732   -62.15210
   61    53 S   CT   _C11    56     1.52642   106.43823  -162.83635
   62    61 S   HC   _H28    57     1.09585   111.05144   -58.77010
   63    61 S   HC   _H29    58     1.09426   111.37079   179.85196
   64    61 S   HC   _H30    59     1.09553   110.30491    59.23829
   65    55 S   CT   _C12    65     1.52336   109.35919    85.24181
   66    65 S   HC   _H31    66     1.09562   110.94955    56.22063
   67    65 S   HC   _H32    67     1.09425   111.23708   177.42321
   68    65 S   HC   _H33    68     1.09494   110.77581   -62.00025
   69    55 S   CT   _C13    69     1.52285   107.13486  -154.32209
   70    69 S   HC   _H34    70     1.09568   111.06325   -58.57045
   71    69 S   HC   _H35    71     1.09415   111.35361  -179.96044
   72    69 S   HC   _H36    72     1.09553   110.28913    59.41518
  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
