* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    203     396
    1     0 S   NP   _N1_     1    29.27698    96.31322   -19.69779
    2     1 S   H    _HN1     2     1.02965    91.11511    38.95360
    3     1 S   H    _H1_     3     1.02837    43.56527   152.73915
    4     1 S   H    _H2_     4     1.02774    75.28724   -69.73813
    5     1 S   CT   _CA1     5     1.50075   152.07873  -179.72732
    6     5 S   HC   _HA1     6     1.09567   105.30795    39.07557
    7     5 S   CO3  _C1_     7     1.53890   112.54092   -81.28858
    8     7 S   O2Z  _O11     8     1.26343   114.98456   -40.50806
    9     7 S   O2Z  _O12     9     1.26257   114.97015   139.06186
   10     5 S   CT   _CB1    10     1.53142   107.48071   157.18525
   11    10 S   HC   HB11    11     1.09807   109.61679   -50.22881
   12    10 S   HC   HB12    12     1.09828   110.27954    66.45245
   13    10 S   CT   _CG1    13     1.52909   112.47181  -171.36689
   14    13 S   HC   HG11    14     1.09528   110.12927   -59.25867
   15    13 S   HC   HG12    15     1.09620   110.22086    59.87622
   16    13 S   C    _CD1    16     1.51707   112.53399  -179.42359
   17    16 S   O    _OE1    17     1.22674   123.35230   -11.27707
   18    16 S   N    _N2_    18     1.38536   111.32129   168.92829
   19    18 S   H    _HN2    19     1.01554   118.87008     2.72024
   20    18 S   CT1  _CA2    20     1.46161   123.81176  -175.60399
   21    20 S   HC   _HA2    21     1.09717   109.44749   -19.48074
   22    20 S   C    _C2_    22     1.53396   107.93957  -135.38492
   23    22 S   O    _O2_    23     1.22992   122.37126  -144.48831
   24    20 S   CT   _CB2    32     1.53510   110.85241   102.95483
   25    24 S   HC   HB21    33     1.09356   109.22693    51.48852
   26    24 S   HC   HB22    34     1.09492   110.72007   170.04691
   27    22 S   N    _N3_    24     1.38542   113.23255    42.75151
   28    27 S   H    _HN3    25     1.01539   118.91282    -0.35608
   29    24 S   S    _SG2    35     1.82991   111.62822   -71.00626
   30    27 S   CT   _CA3    26     1.45449   123.41337   175.18545
   31    30 S   HC   HA31    27     1.09525   109.19631    24.99233
   32    30 S   HC   HA32    28     1.09494   107.12368   141.99642
   33    29 S   CT   _C13    36     1.86621   102.13739   147.20425
   34    30 S   CO3  _C3_    29     1.52935   113.17058   -98.45489
   35    34 S   O2Z  _O31    30     1.26398   115.43432   -43.39253
   36    34 S   O2Z  _O32    31     1.26359   114.96041   137.55126
   37    33 S   CM   _C12    37     1.52281   107.30126   -72.79280
   38    37 S   HC   _H10    38     1.08987   114.85210   -58.28436
   39    33 S   CT   _C14    65     1.54012   109.11789    53.79990
   40    39 S   HC   _H11    66     1.09657   111.39707    57.82230
   41    39 S   HC   _H12    67     1.09481   112.86261   -63.40764
   42    39 S   HC   _H13    68     1.09561   111.52487   177.25298
   43    33 S   CT   _C15    69     1.54975   104.80052   171.42155
   44    43 S   HC   _H14    70     1.09881   111.26482    55.17752
   45    43 S   HC   _H15    71     1.09760   111.15477   -64.22813
   46    37 S   CM   _C11    39     1.34542   127.06533   124.42106
   47    46 S   HC   _H9_    40     1.08752   118.37082    -1.46740
   48    43 S   CO4  _C16    72     1.51224   113.42558   175.68652
   49    48 S   O    _O34    73     1.22738   123.25492  -119.68289
   50    48 S   HC   _H16    74     1.10224   116.24843    62.27025
   51    46 S   CT   _C10    41     1.53010   126.63176   176.20976
   52    51 S   CM   _C5_    42     1.53218   107.81373  -114.71336
   53    51 S   OH   _O35    63     1.43349   109.93291     1.58066
   54    53 S   HO   _H17    64     0.97094   109.05980    68.82409
   55    52 S   CM   _C6_    43     1.34369   122.99873   -98.86206
   56    55 S   HC   _H6_    44     1.08483   121.97503   179.56524
   57    52 S   CT   _C4_    59     1.50857   117.48655    79.89315
   58    57 S   HC   _H3_    60     1.09395   110.70764   -54.83252
   59    57 S   HC   _H4_    61     1.09552   112.07597  -174.51992
   60    57 S   HC   _H5_    62     1.09461   110.62577    65.73117
   61    55 S   CO4  _C7_    45     1.48092   121.58014     0.74703
   62    61 S   O    _O33    46     1.23005   119.45946   177.12860
   63    61 S   CT   _C8_    47     1.51126   119.00676    -0.22642
   64    63 S   HC   _H7_    48     1.09628   107.39783    95.93295
   65    63 S   HC   _H8_    49     1.09724   107.80629  -148.72301
   66    51 S   CT   _C9_    50     1.58003   112.89257   122.61249
   67    66 S   CT   _C17    51     1.55417   111.15361  -168.13406
   68    67 S   HC   _H18    52     1.09573   111.42518    64.75517
   69    67 S   HC   _H19    53     1.09419   112.54154   -56.06809
   70    67 S   HC   _H20    54     1.09647   110.90790  -176.16610
   71    66 S   CT   _C18    55     1.54688   112.28932   -49.39867
   72    71 S   HC   _H21    56     1.09377   111.73468   -58.77099
   73    71 S   HC   _H22    57     1.09663   110.85935  -178.23386
   74    71 S   HC   _H23    58     1.09401   111.90478    62.71790
  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  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   6   4   3  11   4   2
   1   1  22  14   7   1  11   4   5   2   1   1   7   4  11   4
   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    66    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    55    63    66    67    71    57    53    54  
   51    52    66    53  
   49    50  
   50  
    0  
   52    55    56    61    63    64    65    66    67    68    69    70    71    72    73    74    57    58    59    60    53    54  
   55    56    61    62    63    66    67    71    57    58    59    60    53    54  
   54    55    57    63    66    67    71  
   66  
   56    61    62    63    64    65    66    57    58    59    60  
   61    62    63    57  
   58    59    60    61    66  
   59    60  
   60  
    0  
   62    63    64    65    66    67    71  
   63    64    65    66  
   64    65    66    67    68    69    70    71    72    73    74  
   65    66    67    71  
   66    67    71  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    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   0.167500   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   317.000  1.510
   51    52   317.000  1.510
   51    66   268.000  1.529
   51    53   320.000  1.410
   52    55   549.000  1.340
   52    57   317.000  1.510
   55    56   340.000  1.080
   55    61   320.000  1.462
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   268.000  1.529
   66    71   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  124.00000
   46    37    38    35.00000  120.00000
   46    51    52    70.00000  110.12100
   46    51    66    70.00000  112.02700
   46    51    53    90.00000  110.39200
   51    46    47    35.00000  117.00000
   51    52    55    70.00000  124.00000
   51    52    57    65.00000  117.92700
   51    66    63    58.35000  112.70000
   51    66    67    58.35000  112.70000
   51    66    71    58.35000  112.70000
   51    53    54    55.00000  108.50000
   52    55    56    35.00000  120.00000
   52    55    61    65.00000  118.96000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    35.00000  109.50000
   55    61    62    80.00000  123.72100
   55    61    63    65.00000  118.62400
   61    55    56    40.00000  117.72500
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    63.00000  111.10000
   63    61    62    80.00000  120.40000
   63    66    67    58.35000  112.70000
   63    66    71    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    51    52    70.00000  112.02700
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    70    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    66    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    52    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    51    52    90.00000  110.39200
   53    51    66    50.00000  109.50000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    50    35.00000  115.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    35.00000  123.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    50   0.74550  1.0 1.0
   33    43    48    50  -0.00500 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52  -0.28300  1.0 1.0
   37    46    51    52   0.26700 -1.0 2.0
   37    46    51    52  -0.63300  1.0 3.0
   37    46    51    66   0.09850  1.0 1.0
   37    46    51    66   0.15250 -1.0 2.0
   37    46    51    66  -0.50650  1.0 3.0
   37    46    51    53   0.67800  1.0 1.0
   37    46    51    53   0.47050 -1.0 2.0
   37    46    51    53  -0.62500  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    52    55  -0.28300  1.0 1.0
   46    51    52    55   0.26700 -1.0 2.0
   46    51    52    55  -0.63300  1.0 3.0
   46    51    52    57   0.09700  1.0 1.0
   46    51    52    57   0.15600 -1.0 2.0
   46    51    52    57  -0.50800  1.0 3.0
   46    51    66    63   0.34400  1.0 1.0
   46    51    66    63   0.09450 -1.0 2.0
   46    51    66    63   0.11100  1.0 3.0
   46    51    66    67   0.34400  1.0 1.0
   46    51    66    67   0.09450 -1.0 2.0
   46    51    66    67   0.11100  1.0 3.0
   46    51    66    71   0.34400  1.0 1.0
   46    51    66    71   0.09450 -1.0 2.0
   46    51    66    71   0.11100  1.0 3.0
   46    51    53    54  -0.07800  1.0 1.0
   46    51    53    54  -0.21500 -1.0 2.0
   46    51    53    54  -0.03150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    66   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   51    52    55    56   7.00000 -1.0 2.0
   51    52    55    61   7.00000 -1.0 2.0
   51    52    57    58   0.34800  1.0 3.0
   51    52    57    59   0.34800  1.0 3.0
   51    52    57    60   0.34800  1.0 3.0
   51    66    67    68   0.15000  1.0 3.0
   51    66    67    69   0.15000  1.0 3.0
   51    66    67    70   0.15000  1.0 3.0
   51    66    71    72   0.15000  1.0 3.0
   51    66    71    73   0.15000  1.0 3.0
   51    66    71    74   0.15000  1.0 3.0
   52    51    66    63   0.34400  1.0 1.0
   52    51    66    63   0.09450 -1.0 2.0
   52    51    66    63   0.11100  1.0 3.0
   52    51    66    67   0.34400  1.0 1.0
   52    51    66    67   0.09450 -1.0 2.0
   52    51    66    67   0.11100  1.0 3.0
   52    51    66    71   0.34400  1.0 1.0
   52    51    66    71   0.09450 -1.0 2.0
   52    51    66    71   0.11100  1.0 3.0
   52    51    53    54  -0.07800  1.0 1.0
   52    51    53    54  -0.21500 -1.0 2.0
   52    51    53    54  -0.03150  1.0 3.0
   52    55    61    62   1.00000 -1.0 2.0
   52    55   -61    63  -0.33500  1.0 1.0
   52    55   -61    63   1.06600 -1.0 2.0
   52    55   -61    63  -0.14000  1.0 3.0
   55    52    57    58   0.00000  1.0 1.0
   55    52    57    59   0.00000  1.0 1.0
   55    52    57    60   0.00000  1.0 1.0
   55    61    63    64   0.00000  1.0 1.0
   55    61    63    65   0.00000  1.0 1.0
   55    61    63    66   0.65300  1.0 1.0
   55    61    63    66  -0.03850 -1.0 2.0
   55    61    63    66   0.33900  1.0 3.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63   0.04550  1.0 1.0
   56    55    61    63   0.83000 -1.0 2.0
   56    55    61    63  -0.04000  1.0 3.0
   61    63   -66    51  -0.95700  1.0 1.0
   61    63   -66    51  -0.18200 -1.0 2.0
   61    63   -66    51   0.29450  1.0 3.0
   61    63    66    67  -0.95700  1.0 1.0
   61    63    66    67  -0.18200 -1.0 2.0
   61    63    66    67   0.29450  1.0 3.0
   61    63    66    71  -0.95700  1.0 1.0
   61    63    66    71  -0.18200 -1.0 2.0
   61    63    66    71   0.29450  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.30150 -1.0 2.0
   63    66    67    68   0.15000  1.0 3.0
   63    66    67    69   0.15000  1.0 3.0
   63    66    67    70   0.15000  1.0 3.0
   63    66    71    72   0.15000  1.0 3.0
   63    66    71    73   0.15000  1.0 3.0
   63    66    71    74   0.15000  1.0 3.0
   64    63    66    51   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    71   0.15000  1.0 3.0
   65    63    66    51   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    71   0.15000  1.0 3.0
   66    51   -52    55   0.09850  1.0 1.0
   66    51   -52    55   0.15250 -1.0 2.0
   66    51   -52    55  -0.50650  1.0 3.0
   66    51    52    57   0.46850  1.0 1.0
   66    51    52    57   0.08550 -1.0 2.0
   66    51    52    57   0.09800  1.0 3.0
   66    51    53    54  -0.11600  1.0 1.0
   66    51    53    54  -0.09450 -1.0 2.0
   66    51    53    54   0.21250  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   71    66    67    68   0.15000  1.0 3.0
   71    66    67    69   0.15000  1.0 3.0
   71    66    67    70   0.15000  1.0 3.0
   57    52    55    56   7.00000 -1.0 2.0
   57    52    55    61   7.00000 -1.0 2.0
   53    51    52    55   0.67800  1.0 1.0
   53    51    52    55   0.47050 -1.0 2.0
   53    51    52    55  -0.62500  1.0 3.0
   53    51    52    57   0.18000  1.0 1.0
   53    51    52    57   0.16450 -1.0 2.0
   53    51    52    57   0.04450  1.0 3.0
   53    51    66    63   0.86500  1.0 1.0
   53    51    66    63  -0.17500 -1.0 2.0
   53    51    66    63   0.20800  1.0 3.0
   53    51    66    67   0.86500  1.0 1.0
   53    51    66    67  -0.17500 -1.0 2.0
   53    51    66    67   0.20800  1.0 3.0
   53    51    66    71   0.86500  1.0 1.0
   53    51    66    71  -0.17500 -1.0 2.0
   53    51    66    71   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   51    57    52    55   1.10000 -1.0 2.0
   61    56    55    52   1.10000 -1.0 2.0
   55    63    61    62  10.50000 -1.0 2.0
   43    50    48    49  10.50000 -1.0 2.0
END
