* LIGAND DATABASE FILE (OPLS2005)
*
001      68    68    122    182     363
    1     0 S   NP   _N1_     1    29.41510    95.05953   -25.12611
    2     1 S   H    _HN1     2     1.02824   112.90464  -135.35516
    3     1 S   H    _H1_     3     1.02862    87.89021   -26.46508
    4     1 S   H    _H2_     4     1.02948    19.62787   146.26355
    5     1 S   CT   _CA1     5     1.50440   121.46725    87.37128
    6     5 S   HC   _HA1     6     1.09683   104.66033    80.65868
    7     5 S   CO3  _C1_     7     1.54365   110.94565   -35.53939
    8     7 S   O2Z  _O11     8     1.26089   116.57741  -113.41081
    9     7 S   O2Z  _O12     9     1.26525   113.80812    65.15342
   10     5 S   CT   _CB1    10     1.53059   107.04997  -163.23668
   11    10 S   HC   HB11    11     1.09851   109.96715   -44.02318
   12    10 S   HC   HB12    12     1.09660   110.15820    72.47195
   13    10 S   CT   _CG1    13     1.53046   112.27474  -164.45271
   14    13 S   HC   HG11    14     1.09490   111.36474   -60.66226
   15    13 S   HC   HG12    15     1.09655   109.35001    58.31195
   16    13 S   C    _CD1    16     1.51726   111.72330   179.36081
   17    16 S   O    _OE1    17     1.22788   122.95621    23.67771
   18    16 S   N    _N2_    18     1.38612   112.09512  -157.37345
   19    18 S   H    _HN2    19     1.01562   119.14347     2.22748
   20    18 S   CT1  _CA2    20     1.46142   123.32245   177.90800
   21    20 S   HC   _HA2    21     1.09562   109.12901     7.12354
   22    20 S   C    _C2_    22     1.53622   109.13497  -107.98156
   23    22 S   O    _O2_    23     1.23067   122.11045  -150.35737
   24    20 S   CT   _CB2    32     1.53388   111.72834   129.44496
   25    24 S   HC   HB21    33     1.09654   109.59484    64.35537
   26    24 S   HC   HB22    34     1.09566   110.98881  -178.20889
   27    22 S   N    _N3_    24     1.38259   113.83639    37.11370
   28    27 S   H    _HN3    25     1.01538   119.59364    -3.11546
   29    24 S   S    _SG2    35     1.82806   114.29486   -55.12805
   30    27 S   CT   _CA3    26     1.45278   123.45390   177.32577
   31    30 S   HC   HA31    27     1.09541   107.52574   -65.27893
   32    30 S   HC   HA32    28     1.09550   108.02481    51.23935
   33    29 S   CT   _C12    36     1.82785    99.97324   -69.99524
   34    33 S   HC   _H14    37     1.09512   108.32816   -63.59313
   35    33 S   HC   _H15    38     1.09158   108.26262    53.05262
   36    30 S   CO3  _C3_    29     1.53019   113.88707   173.24820
   37    36 S   O2Z  _O31    30     1.26414   116.03032     0.36584
   38    36 S   O2Z  _O32    31     1.26412   114.44393  -179.58035
   39    33 S   CT   _C10    39     1.53927   113.24996   174.54091
   40    39 S   HC   _H8_    40     1.09771   108.80359  -178.15772
   41    39 S   CT   _C11    41     1.53221   112.47242    62.36766
   42    41 S   HC   _H11    42     1.09441   111.76188   -75.72820
   43    41 S   HC   _H12    43     1.09437   111.14510    47.25994
   44    39 S   OS1  _O34    46     1.43597   111.39404   -58.32276
   45    41 S   OH   _O35    44     1.42616   108.95705   165.84688
   46    45 S   HO   _H13    45     0.97229   107.00287   177.98501
   47    44 S   CO1  _C9_    47     1.42978   114.50771   -78.45854
   48    47 S   HC   _H7_    48     1.09508   109.63046    51.80805
   49    47 S   CT   _C8_    49     1.53403   107.99800   171.02616
   50    49 S   HC   _H6_    50     1.09508   111.03011   -57.63697
   51    49 S   CT   _C7_    51     1.53091   109.76459   179.58551
   52    51 S   HC   _H5_    52     1.09627   109.69897    68.39654
   53    49 S   OH5  _O36    67     1.43337   109.56921    59.17212
   54    53 S   HO   _H16    68     0.97290   107.82914    38.19189
   55    51 S   CT   _C6_    53     1.53354   111.24456   -52.44416
   56    55 S   HC   _H4_    54     1.09670   109.27196   -71.88928
   57    51 S   OH5  _O37    65     1.42574   110.62020  -174.06297
   58    57 S   HO   _H17    66     0.97643   107.73340   -53.55210
   59    55 S   CT   _C5_    55     1.53612   110.64196    49.85359
   60    59 S   HC   _H3_    56     1.09846   110.69659    66.69679
   61    55 S   OH5  _O38    63     1.42767   109.78541   171.26637
   62    61 S   HO   _H18    64     0.97240   108.10330   -56.94908
   63    47 S   OS1  _O33    57     1.43227   111.40331   -69.45865
   64    59 S   CT   _C4_    58     1.52976   111.37511  -172.92840
   65    64 S   HC   _H9_    59     1.09502   110.96934    70.24585
   66    64 S   HC   _H10    60     1.09399   111.55512   -52.13547
   67    64 S   OH5  _O39    61     1.42513   109.06105  -171.10139
   68    67 S   HO   _H19    62     0.97237   106.99455  -178.09310
  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   6   4   3   9   1   1  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    44    47  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    45    46    44    47    48    49    63  
   41    42    43    45    44    47  
   42    43    45    46    44    47  
   43    45    46    44  
   45    46    44  
   47    48    49    50    51    59    63    53    45  
   46  
    0  
   48    49    50    51    52    55    59    60    63    64    57    53    54  
   49    50    51    59    63    53  
   50    51    52    55    56    59    63    61    57    58    53    54  
   51    52    55    63    57    53    54  
   52    55    56    59    60    63    64    61    62    57    58    53    54  
   55    56    59    61    57    58    53  
   54    55    57    63  
    0  
   56    59    60    63    64    65    66    67    61    62    57    58  
   59    60    63    64    61    62    57  
   58    59    61  
    0  
   60    63    64    65    66    67    68    61    62  
   63    64    65    66    67    61  
   62    63    64  
    0  
   64    65    66    67  
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   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    44   335.000  1.422
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   320.000  1.410
   45    46   553.000  0.945
   44    47   370.000  1.399
   47    48   360.000  1.097
   47    49   255.000  1.525
   47    63   370.000  1.399
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   355.000  1.421
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   355.000  1.421
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    63   335.000  1.422
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   355.000  1.421
   67    68   580.000  0.967
   61    62   580.000  0.967
   57    58   580.000  0.967
   53    54   580.000  0.967
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    44    95.00000  107.88500
   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    43    37.50000  110.70000
   39    41    45    50.00000  109.50000
   39    44    47    90.00000  112.10700
   41    39    40    37.50000  110.70000
   41    45    46    55.00000  108.50000
   43    41    42    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    35.00000  109.50000
   44    39    40    55.00000  108.98800
   44    39    41    95.00000  107.88500
   44    47    48    60.00000  105.75400
   44    47    49    90.00000  109.70700
   44    47    63   110.00000  113.16000
   47    49    50    45.00000  109.54000
   47    49    51    70.00000  111.10000
   47    49    53    90.00000  109.42000
   47    63    59    90.00000  112.10700
   49    47    48    45.00000  111.65000
   49    51    52    37.50000  110.70000
   49    51    55    58.35000  112.70000
   49    51    57    90.00000  111.45300
   49    53    54    65.00000  108.53500
   51    49    50    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    61    90.00000  111.45300
   51    57    58    65.00000  108.53500
   55    51    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    95.00000  107.88500
   55    59    64    58.35000  112.70000
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    90.00000  111.45300
   63    47    48    60.00000  105.75400
   63    47    49    90.00000  109.70700
   63    59    60    55.00000  108.98800
   64    59    60    37.50000  110.70000
   64    59    63    95.00000  107.88500
   64    67    68    65.00000  108.53500
   66    64    65    33.00000  107.80000
   67    64    65    60.00000  109.39000
   67    64    66    60.00000  109.39000
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
   57    51    52    60.00000  109.39000
   57    51    55    90.00000  111.45300
   53    49    50    60.00000  109.39000
   53    49    51    90.00000  111.45300
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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    44    47   0.06250  1.0 1.0
   33    39    44    47  -0.01100 -1.0 2.0
   33    39    44    47   0.28050  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    44   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    44   0.23400  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   39    44    47    48   0.37050  1.0 3.0
   39    44    47    49   0.06250  1.0 1.0
   39    44    47    49  -0.01100 -1.0 2.0
   39    44    47    49   0.28050  1.0 3.0
   39    44    47    63  -0.12700  1.0 1.0
   39    44    47    63  -1.16200 -1.0 2.0
   39    44    47    63   0.58800  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    44    47   0.37050  1.0 3.0
   41    39    44    47   0.06250  1.0 1.0
   41    39    44    47  -0.01100 -1.0 2.0
   41    39    44    47   0.28050  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46   0.19450  1.0 3.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    45   3.69350  1.0 1.0
   44    39    41    45  -1.82950 -1.0 2.0
   44    47    49    50   0.23400  1.0 3.0
   44    47    49    51   0.62750  1.0 1.0
   44    47    49    51  -0.30950 -1.0 2.0
   44    47    49    51   0.27300  1.0 3.0
   44    47    49    53   1.51850  1.0 1.0
   44    47    63    59  -0.70400  1.0 1.0
   44    47    63    59  -0.90350 -1.0 2.0
   47    49    51    52   0.15000  1.0 3.0
   47    49    51    55   0.56750  1.0 1.0
   47    49    51    55  -0.07550 -1.0 2.0
   47    49    51    55   0.20000  1.0 3.0
   47    49    51    57  -0.47750  1.0 1.0
   47    49    53    54   0.29150  1.0 1.0
   47    49    53    54  -0.28350 -1.0 2.0
   47    49    53    54   0.43600  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.23400  1.0 3.0
   48    47    63    59   0.37050  1.0 3.0
   49    47    63    59   0.06250  1.0 1.0
   49    47    63    59  -0.01100 -1.0 2.0
   49    47    63    59   0.28050  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51   -55    59   0.56750  1.0 1.0
   49    51   -55    59  -0.07550 -1.0 2.0
   49    51   -55    59   0.20000  1.0 3.0
   49    51    55    61  -0.47750  1.0 1.0
   49    51    57    58   0.29150  1.0 1.0
   49    51    57    58  -0.28350 -1.0 2.0
   49    51    57    58   0.43600  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.23400  1.0 3.0
   50    49    53    54   0.19450  1.0 3.0
   51    49    53    54   0.29150  1.0 1.0
   51    49    53    54  -0.28350 -1.0 2.0
   51    49    53    54   0.43600  1.0 3.0
   51    55    59    60   0.15000  1.0 3.0
   51    55    59    63   0.62750  1.0 1.0
   51    55    59    63  -0.30950 -1.0 2.0
   51    55    59    63   0.27300  1.0 3.0
   51    55    59    64   0.56750  1.0 1.0
   51    55    59    64  -0.07550 -1.0 2.0
   51    55    59    64   0.20000  1.0 3.0
   51    55    61    62   0.29150  1.0 1.0
   51    55    61    62  -0.28350 -1.0 2.0
   51    55    61    62   0.43600  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    61   0.23400  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   55    51    57    58   0.29150  1.0 1.0
   55    51    57    58  -0.28350 -1.0 2.0
   55    51    57    58   0.43600  1.0 3.0
   55    59   -63    47   0.06250  1.0 1.0
   55    59   -63    47  -0.01100 -1.0 2.0
   55    59   -63    47   0.28050  1.0 3.0
   55    59    64    65   0.15000  1.0 3.0
   55    59    64    66   0.15000  1.0 3.0
   55    59    64    67  -0.47750  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.23400  1.0 3.0
   56    55    59    64   0.15000  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    64    67    68   0.29150  1.0 1.0
   59    64    67    68  -0.28350 -1.0 2.0
   59    64    67    68   0.43600  1.0 3.0
   60    59    63    47   0.37050  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.23400  1.0 3.0
   63    47    49    50   0.23400  1.0 3.0
   63    47   -49    51   0.62750  1.0 1.0
   63    47   -49    51  -0.30950 -1.0 2.0
   63    47   -49    51   0.27300  1.0 3.0
   63    47    49    53   1.51850  1.0 1.0
   63    59    64    65   0.23400  1.0 3.0
   63    59    64    66   0.23400  1.0 3.0
   63    59    64    67   1.51850  1.0 1.0
   64    59    63    47   0.06250  1.0 1.0
   64    59    63    47  -0.01100 -1.0 2.0
   64    59    63    47   0.28050  1.0 3.0
   65    64    67    68   0.19450  1.0 3.0
   66    64    67    68   0.19450  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63   1.51850  1.0 1.0
   61    55    59    64  -0.47750  1.0 1.0
   57    51    55    56   0.23400  1.0 3.0
   57    51    55    59  -0.47750  1.0 1.0
   57    51    55    61   3.77950  1.0 1.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    55  -0.47750  1.0 1.0
   53    49    51    57   3.77950  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
END
