* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    220     413
    1     0 S   NP   _N1_     1    28.81650    94.02529   -21.11017
    2     1 S   H    _HN1     2     1.02778    91.00766   -78.20111
    3     1 S   H    _H1_     3     1.02962    92.32233    30.19589
    4     1 S   H    _H2_     4     1.02839    28.01948   153.41940
    5     1 S   CT   _CA1     5     1.50137   138.74583   155.32029
    6     5 S   HC   _HA1     6     1.09568   105.26735    58.29702
    7     5 S   CO3  _C1_     7     1.53775   112.38479   -62.01751
    8     7 S   O2Z  _O11     8     1.26362   114.99232   -43.45813
    9     7 S   O2Z  _O12     9     1.26233   114.92247   135.75217
   10     5 S   CT   _CB1    10     1.53047   107.38687   176.27574
   11    10 S   HC   HB11    11     1.09818   109.34352   -50.34207
   12    10 S   HC   HB12    12     1.09772   110.29351    66.21901
   13    10 S   CT   _CG1    13     1.53003   112.82857  -171.67822
   14    13 S   HC   HG11    14     1.09591   110.35697   -63.57260
   15    13 S   HC   HG12    15     1.09636   110.12232    55.70896
   16    13 S   C    _CD1    16     1.51798   112.13914   175.88615
   17    16 S   O    _OE1    17     1.22728   123.17957    -7.15212
   18    16 S   N    _N2_    18     1.38626   111.77807   173.38115
   19    18 S   H    _HN2    19     1.01581   119.13607     0.64650
   20    18 S   CT1  _CA2    20     1.46137   123.19152  -179.10256
   21    20 S   HC   _HA2    21     1.09579   109.14966   -12.35267
   22    20 S   C    _C2_    22     1.53418   108.58871  -127.51420
   23    22 S   O    _O2_    23     1.23018   122.20931  -146.97602
   24    20 S   CT   _CB2    32     1.53434   111.73820   110.02691
   25    24 S   HC   HB21    33     1.09653   109.56870    60.83826
   26    24 S   HC   HB22    34     1.09565   111.05620   178.29912
   27    22 S   N    _N3_    24     1.38507   113.38652    40.57346
   28    27 S   H    _HN3    25     1.01520   118.90485    -0.78210
   29    24 S   S    _SG2    35     1.82724   114.27244   -58.78668
   30    27 S   CT   _CA3    26     1.45439   123.43383   174.64379
   31    30 S   HC   HA31    27     1.09523   109.20792    25.14800
   32    30 S   HC   HA32    28     1.09492   107.14140   142.18663
   33    29 S   CT   _C18    36     1.82141    99.70108   -72.21017
   34    33 S   HC   _H3_    37     1.09445   108.27616   -62.45438
   35    33 S   HC   _H4_    38     1.09315   110.34977    54.81421
   36    30 S   CO3  _C3_    29     1.52937   113.09875   -98.27473
   37    36 S   O2Z  _O31    30     1.26404   115.42096   -43.60084
   38    36 S   O2Z  _O32    31     1.26354   114.96752   137.29718
   39    33 S   CM   _C6_    39     1.49865   109.91254   175.44525
   40    39 S   CMA  _C7_    40     1.35174   128.19602   107.41801
   41    40 S   OM   _O16    41     1.26281   128.08847    -0.57845
   42    40 S   OS   _O17    42     1.42737   109.46737   178.04906
   43    42 S   CT   _C12    43     1.43715   105.26355    17.50391
   44    43 S   HC   _H28    44     1.09967   107.25362    88.65613
   45    43 S   CM   _C4_    45     1.49629   109.81910  -154.07580
   46    45 S   HC   _H19    46     1.08739   115.69584   -66.33460
   47    39 S   CT   _C13    63     1.49783   120.64095   -75.99283
   48    47 S   HC   _H29    64     1.09542   112.32608    48.77397
   49    45 S   CM   _C5_    47     1.34574   124.52016   117.59376
   50    49 S   CT   _C8_    48     1.50987   120.17606   173.61417
   51    50 S   HC   _H20    49     1.09705   108.80086  -107.40926
   52    50 S   HC   _H21    50     1.09676   111.32986     9.46496
   53    50 S   CT   _C9_    51     1.52162   111.96663   131.45616
   54    53 S   HC   _H22    52     1.09605   109.58899   175.39964
   55    53 S   HC   _H23    53     1.09733   109.85167   -67.46312
   56    53 S   CT   _C10    54     1.52372   111.23810    54.11146
   57    56 S   HC   _H24    55     1.09653   109.83406    65.28658
   58    56 S   HC   _H25    56     1.09703   108.72528  -178.50577
   59    56 S   CT   _C14    57     1.53966   111.23750   -57.51552
   60    59 S   HC   _H30    58     1.10048   106.16461   -62.55723
   61    49 S   CT   _C15    59     1.53335   122.68498    -4.79645
   62    59 S   CT   _C16    69     1.53497   108.95891  -176.80053
   63    62 S   HC   _H31    70     1.09447   111.79362   -61.71032
   64    62 S   HC   _H32    71     1.09334   111.80721   176.49379
   65    62 S   HC   _H33    72     1.09593   110.28944    57.57077
   66    61 S   CT   _C11    60     1.55924   110.07201   -16.96265
   67    66 S   HC   _H26    61     1.09997   109.09044   -76.18658
   68    66 S   HC   _H27    62     1.09665   110.25281   168.17510
   69    61 S   CT   _C17    65     1.54471   108.05615   102.11109
   70    69 S   HC   _H34    66     1.09498   111.47305  -172.22731
   71    69 S   HC   _H35    67     1.09484   112.11244    67.26946
   72    69 S   HC   _H36    68     1.09621   111.61100   -52.61897
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  11   6  12   4   8   4
  18  12   6   5   9   5   4  11   5   4  13   7  11   5   2   1
   1   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    66    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    61    66    67    68    47    48  
   41    42    43    44    45    66    47    48  
   42    43    47  
   43    44    45    46    49    66    47    48  
   44    45    46    49    50    61    66    67    68    47    48  
   45    46    49    66    47    48  
   46    49    50    51    52    53    59    61    66    47    48    69  
   49    50    61    47  
   48    69    49    59    61    66    67    68  
   61    66    67    68  
   50    51    52    53    54    55    56    59    60    61    66    67    68    69    70    71    72    62  
   51    52    53    54    55    56    57    58    59    61    66    69  
   52    53    54    55    56    61  
   53    54    55    56    61  
   54    55    56    57    58    59    60    61    62  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    66    69    62    63    64    65  
   58    59    60    61    62  
   59    60    61    62  
   60    61    66    67    68    69    70    71    72    62    63    64    65  
   61    66    69    62    63    64    65  
   66    67    68    69    70    71    72    62    63    64    65  
   63    64    65    66    69  
   64    65  
   65  
    0  
   67    68    69    70    71    72  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    61   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   268.000  1.529
   61    66   268.000  1.529
   61    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    47   268.000  1.529
   47    48   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    66    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    66    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    61    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    61    59    70.00000  112.02700
   49    61    66    70.00000  112.02700
   49    61    69    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    66    58.35000  112.70000
   59    61    69    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   61    49    50    65.00000  117.92700
   61    59    60    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    47    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   66    47    48    37.50000  110.70000
   68    66    67    33.00000  107.80000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    66    67    37.50000  110.70000
   47    66    68    37.50000  110.70000
   69    61    66    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
   62    59    60    37.50000  110.70000
   62    59    61    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    66   0.46850  1.0 1.0
   33    39    47    66   0.08550 -1.0 2.0
   33    39    47    66   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    66   0.09850  1.0 1.0
   40    39    47    66   0.15250 -1.0 2.0
   40    39    47    66  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    66   0.62750  1.0 1.0
   42    43    47    66  -0.30950 -1.0 2.0
   42    43    47    66   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    61   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    66   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    66   0.34400  1.0 1.0
   45    43    47    66   0.09450 -1.0 2.0
   45    43    47    66   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    52   0.00000  1.0 1.0
   45    49    50    53   0.09850  1.0 1.0
   45    49    50    53   0.15250 -1.0 2.0
   45    49    50    53  -0.50650  1.0 3.0
   45    49    61    59   0.09850  1.0 1.0
   45    49    61    59   0.15250 -1.0 2.0
   45    49    61    59  -0.50650  1.0 3.0
   45    49   -61    66   0.09850  1.0 1.0
   45    49   -61    66   0.15250 -1.0 2.0
   45    49   -61    66  -0.50650  1.0 3.0
   45    49    61    69   0.09850  1.0 1.0
   45    49    61    69   0.15250 -1.0 2.0
   45    49    61    69  -0.50650  1.0 3.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    61   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    56   0.34400  1.0 1.0
   49    50    53    56   0.09450 -1.0 2.0
   49    50    53    56   0.11100  1.0 3.0
   49    61    66    67   0.15000  1.0 3.0
   49    61    66    68   0.15000  1.0 3.0
   49    61    66    47   0.34400  1.0 1.0
   49    61    66    47   0.09450 -1.0 2.0
   49    61    66    47   0.11100  1.0 3.0
   49    61    69    70   0.15000  1.0 3.0
   49    61    69    71   0.15000  1.0 3.0
   49    61    69    72   0.15000  1.0 3.0
   50    49    61    59   0.46850  1.0 1.0
   50    49    61    59   0.08550 -1.0 2.0
   50    49    61    59   0.09800  1.0 3.0
   50    49    61    66   0.46850  1.0 1.0
   50    49    61    66   0.08550 -1.0 2.0
   50    49    61    66   0.09800  1.0 3.0
   50    49    61    69   0.46850  1.0 1.0
   50    49    61    69   0.08550 -1.0 2.0
   50    49    61    69   0.09800  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53   -56    59   0.56750  1.0 1.0
   50    53   -56    59  -0.07550 -1.0 2.0
   50    53   -56    59   0.20000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   53    56    59    60   0.15000  1.0 3.0
   53    56    59    61   0.56750  1.0 1.0
   53    56    59    61  -0.07550 -1.0 2.0
   53    56    59    61   0.20000  1.0 3.0
   53    56    59    62   0.56750  1.0 1.0
   53    56    59    62  -0.07550 -1.0 2.0
   53    56    59    62   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59   -61    49   0.34400  1.0 1.0
   56    59   -61    49   0.09450 -1.0 2.0
   56    59   -61    49   0.11100  1.0 3.0
   56    59    61    66   0.56750  1.0 1.0
   56    59    61    66  -0.07550 -1.0 2.0
   56    59    61    66   0.20000  1.0 3.0
   56    59    61    69   0.56750  1.0 1.0
   56    59    61    69  -0.07550 -1.0 2.0
   56    59    61    69   0.20000  1.0 3.0
   56    59    62    63   0.15000  1.0 3.0
   56    59    62    64   0.15000  1.0 3.0
   56    59    62    65   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    68   0.15000  1.0 3.0
   59    61    66    47   0.56750  1.0 1.0
   59    61    66    47  -0.07550 -1.0 2.0
   59    61    66    47   0.20000  1.0 3.0
   59    61    69    70   0.15000  1.0 3.0
   59    61    69    71   0.15000  1.0 3.0
   59    61    69    72   0.15000  1.0 3.0
   60    59    61    49   0.15000  1.0 3.0
   60    59    61    66   0.15000  1.0 3.0
   60    59    61    69   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    49    50    51   0.34800  1.0 3.0
   61    49    50    52   0.34800  1.0 3.0
   61    49   -50    53   0.46850  1.0 1.0
   61    49   -50    53   0.08550 -1.0 2.0
   61    49   -50    53   0.09800  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   61    66    47    39   0.34400  1.0 1.0
   61    66    47    39   0.09450 -1.0 2.0
   61    66    47    39   0.11100  1.0 3.0
   61    66   -47    43   0.56750  1.0 1.0
   61    66   -47    43  -0.07550 -1.0 2.0
   61    66   -47    43   0.20000  1.0 3.0
   61    66    47    48   0.15000  1.0 3.0
   66    61    69    70   0.15000  1.0 3.0
   66    61    69    71   0.15000  1.0 3.0
   66    61    69    72   0.15000  1.0 3.0
   67    66    47    39   0.15000  1.0 3.0
   67    66    47    43   0.15000  1.0 3.0
   67    66    47    48   0.15000  1.0 3.0
   68    66    47    39   0.15000  1.0 3.0
   68    66    47    43   0.15000  1.0 3.0
   68    66    47    48   0.15000  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43   -45    49   0.09850  1.0 1.0
   47    43   -45    49   0.15250 -1.0 2.0
   47    43   -45    49  -0.50650  1.0 3.0
   69    61    66    67   0.15000  1.0 3.0
   69    61    66    68   0.15000  1.0 3.0
   69    61    66    47   0.56750  1.0 1.0
   69    61    66    47  -0.07550 -1.0 2.0
   69    61    66    47   0.20000  1.0 3.0
   62    59    61    49   0.34400  1.0 1.0
   62    59    61    49   0.09450 -1.0 2.0
   62    59    61    49   0.11100  1.0 3.0
   62    59    61    66   0.56750  1.0 1.0
   62    59    61    66  -0.07550 -1.0 2.0
   62    59    61    66   0.20000  1.0 3.0
   62    59    61    69   0.56750  1.0 1.0
   62    59    61    69  -0.07550 -1.0 2.0
   62    59    61    69   0.20000  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
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    61    49    45   1.10000 -1.0 2.0
END
