* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    120    191     360
    1     0 S   NP   _N1_     1    28.99211    95.03481   -23.68340
    2     1 S   H    _HN1     2     1.02783   106.01335   -87.19193
    3     1 S   H    _H1_     3     1.02952    79.75954    19.12280
    4     1 S   H    _H2_     4     1.02832    29.98633   174.67664
    5     1 S   CT   _CA1     5     1.50106   133.83533   127.67123
    6     5 S   HC   _HA1     6     1.09573   105.22440    82.20700
    7     5 S   CO3  _C1_     7     1.53796   112.38671   -38.06976
    8     7 S   O2Z  _O11     8     1.26372   115.00298   -44.28211
    9     7 S   O2Z  _O12     9     1.26237   114.94063   134.87832
   10     5 S   CT   _CB1    10     1.53090   107.43892  -159.81427
   11    10 S   HC   HB11    11     1.09830   109.41602   -49.94313
   12    10 S   HC   HB12    12     1.09816   110.43769    66.66748
   13    10 S   CT   _CG1    13     1.52992   112.57972  -170.93377
   14    13 S   HC   HG11    14     1.09587   110.58137   -64.28733
   15    13 S   HC   HG12    15     1.09666   109.85029    54.94403
   16    13 S   C    _CD1    16     1.51790   112.26127   175.41149
   17    16 S   O    _OE1    17     1.22735   123.29054     4.43571
   18    16 S   N    _N2_    18     1.38641   111.65612  -175.81432
   19    18 S   H    _HN2    19     1.01597   119.00916     1.24804
   20    18 S   CT1  _CA2    20     1.46091   123.32283   178.37105
   21    20 S   HC   _HA2    21     1.09579   109.28098    -4.58458
   22    20 S   C    _C2_    22     1.53468   108.68961  -119.62559
   23    22 S   O    _O2_    23     1.23045   122.26222  -149.16982
   24    20 S   CT   _CB2    32     1.53302   111.70872   117.87149
   25    24 S   HC   HB21    33     1.09651   109.66361    60.81174
   26    24 S   HC   HB22    34     1.09563   111.01268   178.28537
   27    22 S   N    _N3_    24     1.38333   113.59868    38.41450
   28    27 S   H    _HN3    25     1.01621   119.52423    -3.69803
   29    24 S   S    _SG2    35     1.82869   114.35091   -58.98837
   30    27 S   CT   _CA3    26     1.45284   123.17298   176.91301
   31    30 S   HC   HA31    27     1.09550   107.54737   -63.43336
   32    30 S   HC   HA32    28     1.09557   107.93231    52.98727
   33    29 S   CT   _C4_    36     1.82800    99.74871   -68.66577
   34    33 S   HC   _H7_    37     1.09330   108.16129    64.05370
   35    33 S   HC   _H8_    38     1.09429   108.43741   -54.70715
   36    30 S   CO3  _C3_    29     1.52946   114.09913   174.95647
   37    36 S   O2Z  _O31    30     1.26373   116.05026    -0.56821
   38    36 S   O2Z  _O32    31     1.26426   114.41607   179.48300
   39    33 S   CT   _C5_    39     1.53553   110.12391  -175.51293
   40    39 S   HC   _H3_    40     1.09554   110.20349    49.37713
   41    39 S   CT   _C6_    41     1.54477   111.48209   171.09916
   42    41 S   HC   _H4_    42     1.09668   108.46044   -60.03033
   43    39 S   OH   _O37    67     1.42970   109.25275   -69.15809
   44    43 S   HO   _H16    68     0.97363   107.10420    54.69983
   45    41 S   CT   _C7_    43     1.54468   113.98490   177.41608
   46    45 S   HC   _H5_    44     1.09831   109.61709   -54.28105
   47    41 S   OH   _O36    65     1.43212   108.65229    56.00110
   48    47 S   HO   _H15    66     0.97397   107.24296    53.67147
   49    45 S   CT   _C8_    45     1.55707   112.95977  -173.11809
   50    49 S   HC   _H6_    46     1.09596   109.25320    71.48548
   51    49 S   NE   _N4_    47     1.46259   110.00925  -167.93870
   52    49 S   OH   _O35    63     1.42651   110.68078   -46.31735
   53    52 S   HO   _H14    64     0.97185   106.21217   -73.72172
   54    51 S   CM   _C9_    48     1.40526   123.79916    36.49932
   55    51 S   OH   _O34    61     1.39121   113.58066  -161.12220
   56    55 S   HO   _H13    62     0.97352   102.46296   154.33722
   57    54 S   CM   _C10    49     1.35618   116.09974   -12.40739
   58    57 S   C    _C11    50     1.48543   119.16709   178.60703
   59    58 S   O    _O33    51     1.22733   122.01603  -179.53438
   60    45 S   NE   _N8_    59     1.46412   110.95319    64.48539
   61    60 S   H    _H12    60     1.01525   119.84262   -37.67804
   62    58 S   N    _N5_    52     1.37447   113.98822     0.64224
   63    62 S   H    _H9_    53     1.01358   117.82352   179.89347
   64    62 S   CDX  _C12    54     1.37913   123.29022     0.19180
   65    54 S   NI   _N6_    55     1.38413   121.51288   167.52184
   66    64 S   NE   _N7_    56     1.36603   115.88638   179.58410
   67    66 S   H    _H10    57     1.01378   120.44182   179.90935
   68    66 S   H    _H11    58     1.01286   122.06552     0.03426
  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   7   5   4   3
  10   5   4   2   1   1  11   6  14   7   3   1  14   8   3   1
  11   6  10   4   1  11   3   1   8   8   4   3   1   6   3   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    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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    60    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    57    60    61    52    47    48    43    44  
   45    46    49    60    47    48    43  
   44    45    47  
    0  
   46    49    50    51    54    57    58    60    61    55    52    53    47    48  
   49    50    51    57    60    61    52    47  
   48    49    60  
    0  
   50    51    54    57    65    60    61    55    56    52    53  
   51    54    60    55    52    53  
   54    57    58    64    65    60    55    56    52    53  
   53    54    55    60  
    0  
   57    58    59    62    64    65    66    60    61    55    56  
   56    57    65  
    0  
   58    59    62    63    64    65    60    61  
   59    62    63    64    65    66    60    61  
   62    63    64    60  
   61    62    65  
    0  
   63    64    65    66    67    68  
   64    65    66  
   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  -0.335000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.440300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.153300   1.9050   1.6860   0.051222218  -2.220205820
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1200   0.1700  -0.550700   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.450700   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   65   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   66   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    60   382.000  1.448
   49    50   340.000  1.090
   49    51   382.000  1.448
   49    52   320.000  1.410
   51    54   425.000  1.378
   51    55   315.000  1.396
   54    57   549.000  1.340
   54    65   405.000  1.380
   57    58   410.000  1.444
   57    60   425.000  1.378
   58    59   570.000  1.229
   58    62   490.000  1.335
   62    63   434.000  1.010
   62    64   400.000  1.380
   64    65   650.000  1.285
   64    66   445.000  1.380
   66    67   434.000  1.010
   66    68   434.000  1.010
   60    61   434.000  1.010
   55    56   553.000  0.945
   52    53   553.000  0.945
   47    48   553.000  0.945
   43    44   553.000  0.945
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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    45    60    80.00000  111.61500
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    80.00000  111.61500
   45    49    52    50.00000  109.50000
   45    60    57    50.00000  121.00000
   45    60    61    35.00000  112.50000
   49    45    46    37.50000  110.70000
   49    51    54    50.00000  121.00000
   49    51    55   100.00000  106.16000
   49    52    53    55.00000  108.50000
   51    49    50    35.00000  109.50000
   51    54    57    70.00000  124.03900
   51    54    65    85.00000  113.56000
   51    55    56    75.00000  105.39500
   54    57    58    70.00000  118.70000
   54    57    60    70.00000  124.03900
   54    65    64    70.00000  116.49400
   57    58    59    80.00000  125.30000
   57    58    62    80.00000  111.56200
   57    60    61    35.00000  114.50000
   58    62    63    35.00000  119.80000
   58    62    64    70.00000  120.51600
   62    58    59    80.00000  122.90000
   62    64    65    80.00000  119.04400
   62    64    66    85.00000  111.44000
   64    62    63    45.00000  120.05200
   64    66    67    35.00000  119.50000
   64    66    68    35.00000  119.50000
   65    54    57    70.00000  120.83400
   66    64    65    75.00000  124.36500
   68    66    67    35.00000  109.00000
   60    45    46    35.00000  109.50000
   60    45    49    80.00000  111.61500
   60    57    58    70.00000  117.92000
   55    51    54    90.00000  112.38000
   52    49    50    35.00000  109.50000
   52    49    51    95.00000  114.90300
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49   0.56750  1.0 1.0
   39    41    45    49  -0.07550 -1.0 2.0
   39    41    45    49   0.20000  1.0 3.0
   39    41    45    60   1.26750  1.0 1.0
   39    41    45    60  -0.00950 -1.0 2.0
   39    41    45    60   0.30600  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   1.26750  1.0 1.0
   41    45    49    51  -0.00950 -1.0 2.0
   41    45    49    51   0.30600  1.0 3.0
   41    45    49    52   0.86500  1.0 1.0
   41    45    49    52  -0.17500 -1.0 2.0
   41    45    49    52   0.20800  1.0 3.0
   41    45    60    57   0.25450  1.0 1.0
   41    45    60    57  -0.61700 -1.0 2.0
   41    45    60    57  -0.23550  1.0 3.0
   41    45    60    61   0.00000  1.0 1.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    60   0.22950  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    51    54   0.25450  1.0 1.0
   45    49    51    54  -0.61700 -1.0 2.0
   45    49    51    54  -0.23550  1.0 3.0
   45    49    51    55   0.61050  1.0 1.0
   45    49    51    55  -0.39800 -1.0 2.0
   45    49    51    55   0.77800  1.0 3.0
   45    49    52    53  -0.11600  1.0 1.0
   45    49    52    53  -0.09450 -1.0 2.0
   45    49    52    53   0.21250  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.22950  1.0 3.0
   46    45    49    52   0.23400  1.0 3.0
   46    45    60    57   0.00000  1.0 1.0
   46    45    60    61   0.00000  1.0 1.0
   49    45    60    57   0.25450  1.0 1.0
   49    45    60    57  -0.61700 -1.0 2.0
   49    45    60    57  -0.23550  1.0 3.0
   49    45    60    61   0.00000  1.0 1.0
   49    51   -54    57  -0.54700  1.0 1.0
   49    51   -54    57   1.23000 -1.0 2.0
   49    51    54    65   1.00000 -1.0 2.0
   49    51    55    56  -1.00000 -1.0 2.0
   50    49    51    54   0.00000  1.0 1.0
   50    49    51    55   0.00000  1.0 1.0
   50    49    52    53   0.19450  1.0 3.0
   51    49    52    53   0.09550  1.0 1.0
   51    49    52    53   0.17350 -1.0 2.0
   51    49    52    53  -0.55000  1.0 3.0
   51    54    57    58   7.00000 -1.0 2.0
   51    54    57    60   7.00000 -1.0 2.0
   51    54    65    64   1.00000 -1.0 2.0
   54    51    55    56  -1.00000 -1.0 2.0
   54    57    58    59   1.00000 -1.0 2.0
   54    57    58    62   0.49500  1.0 1.0
   54    57    58    62   1.31600 -1.0 2.0
   54    57    58    62  -0.02300  1.0 3.0
   54    57   -60    45  -0.54700  1.0 1.0
   54    57   -60    45   1.23000 -1.0 2.0
   54    57    60    61   1.00000 -1.0 2.0
   57    54    65    64   1.00000 -1.0 2.0
   57    58    62    63   2.56700 -1.0 2.0
   57    58   -62    64   2.45000 -1.0 2.0
   58    57    60    45   1.00000 -1.0 2.0
   58    57    60    61   1.00000 -1.0 2.0
   58    62    64    65  -0.56400  1.0 1.0
   58    62    64    65   0.77500 -1.0 2.0
   58    62    64    65   0.18700  1.0 3.0
   58    62    64    66  -0.56400  1.0 1.0
   58    62    64    66   0.77500 -1.0 2.0
   58    62    64    66   0.18700  1.0 3.0
   59    58    62    63   2.45000 -1.0 2.0
   59    58    62    64   2.67200 -1.0 2.0
   62    64   -65    54   6.00000 -1.0 2.0
   62    64    66    67   1.00000 -1.0 2.0
   62    64    66    68   1.00000 -1.0 2.0
   63    62    64    65   1.00000 -1.0 2.0
   63    62    64    66   1.00000 -1.0 2.0
   65    54   -57    58   7.00000 -1.0 2.0
   65    54    57    60   7.00000 -1.0 2.0
   65    64    66    67   1.50000 -1.0 2.0
   65    64    66    68   1.50000 -1.0 2.0
   66    64    65    54   6.00000 -1.0 2.0
   60    45    49    50   0.22950  1.0 3.0
   60    45   -49    51   2.20050  1.0 1.0
   60    45   -49    51   0.63450 -1.0 2.0
   60    45   -49    51  -0.91300  1.0 3.0
   60    45    49    52   4.07950  1.0 1.0
   60    45    49    52  -0.26450 -1.0 2.0
   60    45    49    52  -0.12150  1.0 3.0
   60    57    58    59  -0.52200  1.0 1.0
   60    57    58    59   0.82950 -1.0 2.0
   60    57    58    62   1.50000 -1.0 2.0
   55    51    54    57  -0.94800  1.0 1.0
   55    51    54    57   2.88400 -1.0 2.0
   55    51    54    65   1.00000 -1.0 2.0
   52    49    51    54   0.75000  1.0 1.0
   52    49    51    54  -0.75000 -1.0 2.0
   52    49    51    55  -0.12500  1.0 1.0
   52    49    51    55  -0.12500 -1.0 2.0
   52    49    51    55   0.25000  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49   0.86500  1.0 1.0
   47    41    45    49  -0.17500 -1.0 2.0
   47    41    45    49   0.20800  1.0 3.0
   47    41    45    60   4.07950  1.0 1.0
   47    41    45    60  -0.26450 -1.0 2.0
   47    41    45    60  -0.12150  1.0 3.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   55    54    51    49   1.00000 -1.0 2.0
   51    65    54    57   1.10000 -1.0 2.0
   58    60    57    54   1.10000 -1.0 2.0
   57    62    58    59  10.50000 -1.0 2.0
   63    58    62    64   1.00000 -1.0 2.0
   62    66    64    65  10.50000 -1.0 2.0
   68    64    66    67   1.00000 -1.0 2.0
   61    57    60    45   1.00000 -1.0 2.0
END
