* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    128    204     377
    1     0 S   NP   _N1_     1    29.17204    95.60097   -18.82044
    2     1 S   H    _HN1     2     1.02776    75.75683   -72.08597
    3     1 S   H    _H1_     3     1.02965    93.04672    36.09728
    4     1 S   H    _H2_     4     1.02834    41.77203   148.35648
    5     1 S   CT   _CA1     5     1.50184   149.85502   177.85534
    6     5 S   HC   _HA1     6     1.09576   105.14770    38.62117
    7     5 S   CO3  _C1_     7     1.53762   112.53600   -81.32636
    8     7 S   O2Z  _O11     8     1.26364   115.01301   -37.27436
    9     7 S   O2Z  _O12     9     1.26246   115.01059   141.90039
   10     5 S   CT   _CB1    10     1.53111   107.35787   156.48935
   11    10 S   HC   HB11    11     1.09812   109.12306   -49.83359
   12    10 S   HC   HB12    12     1.09826   110.43992    66.64831
   13    10 S   CT   _CG1    13     1.53007   112.84487  -171.04862
   14    13 S   HC   HG11    14     1.09465   110.32545   -65.52473
   15    13 S   HC   HG12    15     1.09648   110.11459    53.52875
   16    13 S   C    _CD1    16     1.51826   112.34122   173.36002
   17    16 S   O    _OE1    17     1.22736   123.14731   -12.08031
   18    16 S   N    _N2_    18     1.38603   111.79179   169.24573
   19    18 S   H    _HN2    19     1.01603   118.97744    -1.42285
   20    18 S   CT1  _CA2    20     1.46289   123.43327   178.29509
   21    20 S   HC   _HA2    21     1.09744   109.22166   -17.46211
   22    20 S   C    _C2_    22     1.53451   108.12113  -132.92253
   23    22 S   O    _O2_    23     1.23002   122.29956  -146.13942
   24    20 S   CT   _CB2    32     1.53395   111.65046   104.88794
   25    24 S   HC   HB21    33     1.09334   109.65028    55.00811
   26    24 S   HC   HB22    34     1.09522   110.59688   172.91623
   27    22 S   N    _N3_    24     1.38527   113.30357    41.23543
   28    27 S   H    _HN3    25     1.01534   118.90639    -0.59248
   29    24 S   S    _SG2    35     1.82762   111.59553   -68.55593
   30    27 S   CT   _CA3    26     1.45452   123.50620   175.12046
   31    30 S   HC   HA31    27     1.09518   109.30152    22.94805
   32    30 S   HC   HA32    28     1.09496   107.09971   139.97286
   33    29 S   CT   _C14    36     1.86962   100.98238   138.36932
   34    30 S   CO3  _C3_    29     1.52924   113.09571  -100.57093
   35    34 S   O2Z  _O31    30     1.26404   115.41322   -43.90772
   36    34 S   O2Z  _O32    31     1.26355   114.97634   137.02584
   37    33 S   CA   _C9_    37     1.52324   107.40282   -80.90749
   38    33 S   CT   _C12    51     1.53216   114.78934   161.67960
   39    38 S   HC   _H24    52     1.10536   107.96271   164.26743
   40    37 S   CA   _C7_    38     1.39946   122.34970    99.47296
   41    40 S   HA   _H23    39     1.08672   120.76837     2.18946
   42    38 S   CT   _C15    53     1.52529   105.56075   -84.28841
   43    40 S   CA   _C5_    40     1.39603   120.22711  -177.40776
   44    43 S   HA   _H21    41     1.08664   119.86890   179.70658
   45    42 S   CT   _C13    54     1.55698    99.26603   -35.31409
   46    45 S   HC   _H25    55     1.09631   111.02490   140.22612
   47    42 S   CT   _C17    61     1.53870   111.03404  -156.30358
   48    47 S   HC   _H29    62     1.09573   111.15138   171.53712
   49    47 S   HC   _H30    63     1.09509   112.32390    50.80549
   50    47 S   HC   _H31    64     1.09601   110.85919   -68.76648
   51    42 S   CT   _C18    65     1.54047   115.56279    82.04435
   52    51 S   HC   _H32    66     1.09722   110.24777   174.67973
   53    51 S   HC   _H33    67     1.09391   111.90088    55.63015
   54    51 S   HC   _H34    68     1.09074   113.41103   -67.21079
   55    43 S   CA   _C4_    42     1.39534   120.37122     0.00000
   56    55 S   HA   _H20    43     1.08694   119.88195   179.62570
   57    33 S   OS   _O18    56     1.43593   110.22835    45.58800
   58    45 S   CT   _C16    57     1.52541   116.38064   -95.68181
   59    58 S   HC   _H26    58     1.09522   111.38670    58.30013
   60    58 S   HC   _H27    59     1.09354   111.73540   -64.11895
   61    58 S   HC   _H28    60     1.09595   110.06999   175.84244
   62    55 S   CA   _C6_    44     1.39414   120.31068    -0.30001
   63    62 S   HA   _H22    45     1.08669   119.27034  -179.48414
   64    37 S   CA   _C8_    46     1.41563   118.79834   -78.62651
   65    64 S   CO4  _C10    47     1.48994   119.76840    -4.22906
   66    65 S   O    _O16    48     1.21968   123.06836   164.55579
   67    65 S   CO4  _C11    49     1.52177   117.79984   -16.84649
   68    67 S   O    _O17    50     1.21857   119.86050   178.12163
  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  10   5   4   3
  18   2   1   1  16  20   8   9   4  18   6   3  15   7  10   3
   2   1   6   2   1   1   5   3   6   3   2   1   1   5   2   4
   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    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    64    67    38    39    42    45    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    43    62    64    65    67    68    38    39    42    45    46    57    58    47    51  
   35    36  
   36  
    0  
   40    41    43    44    55    62    63    64    65    66    67    38    39    42    45    57  
   39    42    45    46    57    58    47    48    49    50    51    52    53    54    40    64    65    66    67    68  
   42    45    57    47    51    65    67    68  
   41    43    44    55    56    62    64    65    57  
   43    44    55    64  
   45    46    57    58    59    60    61    47    48    49    50    51    52    53    54    65    67    68  
   44    55    56    62    63    64  
   55    56    62  
   46    57    58    59    60    61    47    48    49    50    51    52    53    54    67  
   57    58    59    60    61    47    51  
   48    49    50    51    52    53    54    57    58    67  
   49    50    51  
   50    51  
   51  
   52    53    54    57    58    67  
   53    54  
   54  
    0  
   56    62    63    64    65  
   62    63    64  
   58    59    60    61    64    67  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67  
   64    65  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.390700   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    57   320.000  1.410
   37    40   469.000  1.400
   37    64   469.000  1.400
   40    41   367.000  1.080
   40    43   469.000  1.400
   43    44   367.000  1.080
   43    55   469.000  1.400
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   310.000  1.470
   65    66   570.000  1.229
   65    67   250.000  1.523
   67    68   570.000  1.229
   67    38   317.000  1.522
   38    39   340.000  1.090
   38    42   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   42    51   268.000  1.529
   45    46   340.000  1.090
   45    57   320.000  1.410
   45    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    57    85.00000  114.68000
   33    37    40    70.00000  120.00000
   33    37    64    70.00000  120.00000
   33    38    67    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    57    45    60.00000  109.50000
   37    40    41    35.00000  120.00000
   37    40    43    63.00000  120.00000
   37    64    62    63.00000  120.00000
   37    64    65    60.00000  119.52600
   40    43    44    35.00000  120.00000
   40    43    55    63.00000  120.00000
   43    40    41    35.00000  120.00000
   43    55    56    35.00000  120.00000
   43    55    62    63.00000  120.00000
   55    43    44    35.00000  120.00000
   55    62    63    35.00000  120.00000
   55    62    64    63.00000  120.00000
   62    55    56    35.00000  120.00000
   62    64    65    60.00000  119.52600
   64    37    40    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    75.00000  123.78400
   64    65    67    60.00000  117.28700
   65    67    68    80.00000  119.30300
   65    67    38    65.00000  115.45000
   67    65    66    80.00000  119.30300
   67    38    39    35.00000  109.50000
   67    38    42    63.00000  111.10000
   38    33    37    70.00000  112.17500
   38    67    68    80.00000  120.40000
   38    42    45    58.35000  112.70000
   38    42    47    58.35000  112.70000
   38    42    51    58.35000  112.70000
   42    38    39    37.50000  110.70000
   42    45    46    37.50000  110.70000
   42    45    57    50.00000  109.50000
   42    45    58    58.35000  112.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   42    51    52    37.50000  110.70000
   42    51    53    37.50000  110.70000
   42    51    54    37.50000  110.70000
   45    58    59    37.50000  110.70000
   45    58    60    37.50000  110.70000
   45    58    61    37.50000  110.70000
   57    33    37    85.00000  111.85700
   57    33    38    50.00000  109.50000
   57    45    46    35.00000  109.50000
   58    45    46    37.50000  110.70000
   58    45    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    42    45    58.35000  112.70000
   51    42    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    64  -0.16000  1.0 1.0
   29    33    37    64  -0.03200 -1.0 2.0
   29    33    37    64   0.04500  1.0 3.0
   29    33    38    67   0.56750  1.0 1.0
   29    33    38    67  -0.07550 -1.0 2.0
   29    33    38    67   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    57    45   0.14700  1.0 1.0
   29    33    57    45  -1.16150 -1.0 2.0
   29    33    57    45   0.48700  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    64    62   3.62500 -1.0 2.0
   33    37    64    65   3.62500 -1.0 2.0
   33    38   -42    45   0.56750  1.0 1.0
   33    38   -42    45  -0.07550 -1.0 2.0
   33    38   -42    45   0.20000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38    42    51   0.56750  1.0 1.0
   33    38    42    51  -0.07550 -1.0 2.0
   33    38    42    51   0.20000  1.0 3.0
   37    33    38    67   0.56750  1.0 1.0
   37    33    38    67  -0.07550 -1.0 2.0
   37    33    38    67   0.20000  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    42  -0.03700  1.0 1.0
   37    33    38    42   0.37200 -1.0 2.0
   37    33    38    42  -0.47300  1.0 3.0
   37    33    57    45   0.37500  1.0 3.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    55   3.62500 -1.0 2.0
   37    64    65    66   1.05000 -1.0 2.0
   37    64   -65    67   0.56600 -1.0 2.0
   40    37    64    62   3.62500 -1.0 2.0
   40    37    64    65   3.62500 -1.0 2.0
   40    43    55    56   3.62500 -1.0 2.0
   40    43   -55    62   3.62500 -1.0 2.0
   41    40    43    44   3.62500 -1.0 2.0
   41    40    43    55   3.62500 -1.0 2.0
   43    55    62    63   3.62500 -1.0 2.0
   43    55    62    64   3.62500 -1.0 2.0
   44    43    55    56   3.62500 -1.0 2.0
   44    43    55    62   3.62500 -1.0 2.0
   55    62   -64    37   3.62500 -1.0 2.0
   55    62    64    65   3.62500 -1.0 2.0
   56    55    62    63   3.62500 -1.0 2.0
   56    55    62    64   3.62500 -1.0 2.0
   62    64    65    66   1.05000 -1.0 2.0
   62    64    65    67   0.56600 -1.0 2.0
   63    62    64    37   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    37    40    41   3.62500 -1.0 2.0
   64    37   -40    43   3.62500 -1.0 2.0
   64    65    67    68   0.03000  1.0 1.0
   64    65    67    68   0.58800 -1.0 2.0
   64    65    67    68   0.15550  1.0 3.0
   64    65    67    38   0.43900  1.0 1.0
   64    65    67    38  -0.18150 -1.0 2.0
   64    65    67    38  -0.03650  1.0 3.0
   65    67   -38    33   0.65300  1.0 1.0
   65    67   -38    33  -0.03850 -1.0 2.0
   65    67   -38    33   0.33900  1.0 3.0
   65    67    38    39   0.00000  1.0 1.0
   65    67    38    42   0.65300  1.0 1.0
   65    67    38    42  -0.03850 -1.0 2.0
   65    67    38    42   0.33900  1.0 3.0
   66    65    67    68   0.06100 -1.0 2.0
   66    65    67    38   0.49600 -1.0 2.0
   67    38    42    45  -0.95700  1.0 1.0
   67    38    42    45  -0.18200 -1.0 2.0
   67    38    42    45   0.29450  1.0 3.0
   67    38    42    47  -0.95700  1.0 1.0
   67    38    42    47  -0.18200 -1.0 2.0
   67    38    42    47   0.29450  1.0 3.0
   67    38    42    51  -0.95700  1.0 1.0
   67    38    42    51  -0.18200 -1.0 2.0
   67    38    42    51   0.29450  1.0 3.0
   68    67    38    33   0.30150 -1.0 2.0
   68    67    38    39   0.00000  1.0 1.0
   68    67    38    42   0.30150 -1.0 2.0
   38    33    37    40   0.04150 -1.0 2.0
   38    33   -37    64   0.04150 -1.0 2.0
   38    33   -57    45   0.06250  1.0 1.0
   38    33   -57    45  -0.01100 -1.0 2.0
   38    33   -57    45   0.28050  1.0 3.0
   38    42    45    46   0.15000  1.0 3.0
   38    42   -45    57   0.62750  1.0 1.0
   38    42   -45    57  -0.30950 -1.0 2.0
   38    42   -45    57   0.27300  1.0 3.0
   38    42    45    58   0.56750  1.0 1.0
   38    42    45    58  -0.07550 -1.0 2.0
   38    42    45    58   0.20000  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    50   0.15000  1.0 3.0
   38    42    51    52   0.15000  1.0 3.0
   38    42    51    53   0.15000  1.0 3.0
   38    42    51    54   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   42    45   -57    33   0.06250  1.0 1.0
   42    45   -57    33  -0.01100 -1.0 2.0
   42    45   -57    33   0.28050  1.0 3.0
   42    45    58    59   0.15000  1.0 3.0
   42    45    58    60   0.15000  1.0 3.0
   42    45    58    61   0.15000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    42    51    52   0.15000  1.0 3.0
   45    42    51    53   0.15000  1.0 3.0
   45    42    51    54   0.15000  1.0 3.0
   46    45    57    33   0.37050  1.0 3.0
   46    45    58    59   0.15000  1.0 3.0
   46    45    58    60   0.15000  1.0 3.0
   46    45    58    61   0.15000  1.0 3.0
   57    33    37    40   0.64500  1.0 1.0
   57    33    37    40   0.14800 -1.0 2.0
   57    33    37    40   0.20650  1.0 3.0
   57    33    37    64   0.64500  1.0 1.0
   57    33    37    64   0.14800 -1.0 2.0
   57    33    37    64   0.20650  1.0 3.0
   57    33    38    67  -0.09450  1.0 1.0
   57    33    38    67  -1.12950 -1.0 2.0
   57    33    38    67   0.54000  1.0 3.0
   57    33    38    39   0.23400  1.0 3.0
   57    33   -38    42   0.62750  1.0 1.0
   57    33   -38    42  -0.30950 -1.0 2.0
   57    33   -38    42   0.27300  1.0 3.0
   57    45    58    59   0.23400  1.0 3.0
   57    45    58    60   0.23400  1.0 3.0
   57    45    58    61   0.23400  1.0 3.0
   58    45    57    33   0.06250  1.0 1.0
   58    45    57    33  -0.01100 -1.0 2.0
   58    45    57    33   0.28050  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    57   0.62750  1.0 1.0
   47    42    45    57  -0.30950 -1.0 2.0
   47    42    45    57   0.27300  1.0 3.0
   47    42    45    58   0.56750  1.0 1.0
   47    42    45    58  -0.07550 -1.0 2.0
   47    42    45    58   0.20000  1.0 3.0
   47    42    51    52   0.15000  1.0 3.0
   47    42    51    53   0.15000  1.0 3.0
   47    42    51    54   0.15000  1.0 3.0
   51    42    45    46   0.15000  1.0 3.0
   51    42    45    57   0.62750  1.0 1.0
   51    42    45    57  -0.30950 -1.0 2.0
   51    42    45    57   0.27300  1.0 3.0
   51    42    45    58   0.56750  1.0 1.0
   51    42    45    58  -0.07550 -1.0 2.0
   51    42    45    58   0.20000  1.0 3.0
   51    42    47    48   0.15000  1.0 3.0
   51    42    47    49   0.15000  1.0 3.0
   51    42    47    50   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
   40    64    37    33   4.00000 -1.0 2.0
   43    41    40    37   1.10000 -1.0 2.0
   55    44    43    40   1.10000 -1.0 2.0
   62    56    55    43   1.10000 -1.0 2.0
   64    63    62    55   1.10000 -1.0 2.0
   62    65    64    37   4.00000 -1.0 2.0
   64    67    65    66  10.50000 -1.0 2.0
   65    38    67    68  10.50000 -1.0 2.0
END
