* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    140    209     412
    1     0 S   NP   _N1_     1    28.00107    95.71811   -22.48320
    2     1 S   H    _HN1     2     1.02960    79.33597     5.75909
    3     1 S   H    _H1_     3     1.02836    32.84644   153.08863
    4     1 S   H    _H2_     4     1.02779   101.10339  -101.05707
    5     1 S   CT   _CA1     5     1.50129   138.91583   114.63393
    6     5 S   HC   _HA1     6     1.09578   105.21996    80.33559
    7     5 S   CO3  _C1_     7     1.53792   112.36832   -39.86704
    8     7 S   O2Z  _O11     8     1.26368   114.99665   -43.93114
    9     7 S   O2Z  _O12     9     1.26239   114.93475   135.19172
   10     5 S   CT   _CB1    10     1.53101   107.42409  -161.74498
   11    10 S   HC   HB11    11     1.09829   109.34253   -50.51135
   12    10 S   HC   HB12    12     1.09818   110.42398    66.04920
   13    10 S   CT   _CG1    13     1.53015   112.66228  -171.58296
   14    13 S   HC   HG11    14     1.09595   110.48541   -64.16509
   15    13 S   HC   HG12    15     1.09657   109.92667    55.03466
   16    13 S   C    _CD1    16     1.51836   112.32461   175.41157
   17    16 S   O    _OE1    17     1.22754   123.29527    -0.00000
   18    16 S   N    _N2_    18     1.38573   111.69391   179.94405
   19    18 S   H    _HN2    19     1.01558   119.02751     4.64874
   20    18 S   CT1  _CA2    20     1.45782   122.85420   177.97609
   21    20 S   HC   _HA2    21     1.09748   108.88823    22.09002
   22    20 S   C    _C2_    22     1.52895   107.22548   -94.73635
   23    22 S   O    _O2_    23     1.22948   123.11699   -26.75958
   24    20 S   CT   _CB2    32     1.53325   112.24311   145.14427
   25    24 S   HC   HB21    33     1.09462   110.10244    52.25800
   26    24 S   HC   HB22    34     1.09353   109.52657   171.13654
   27    22 S   N    _N3_    24     1.38483   112.38705   155.95316
   28    27 S   H    _HN3    25     1.01622   120.29494    -1.89321
   29    24 S   S    _SG2    35     1.82735   110.36254   -68.57613
   30    27 S   CT   _CA3    26     1.45312   122.72991   178.65739
   31    30 S   HC   HA31    27     1.09558   107.80674   -56.46701
   32    30 S   HC   HA32    28     1.09557   107.66032    59.93155
   33    29 S   CT   _C14    36     1.86198   101.93545  -175.64657
   34    30 S   CO3  _C3_    29     1.52935   114.13721  -178.31484
   35    34 S   O2Z  _O31    30     1.26362   116.02963     0.13706
   36    34 S   O2Z  _O32    31     1.26429   114.41971  -179.90309
   37    33 S   CM   _C15    37     1.51940   106.03310   176.64234
   38    37 S   HC   _H19    38     1.09217   115.45311    58.56213
   39    33 S   CT   _C17    73     1.53944   109.04652   -68.01860
   40    39 S   HC   _H20    74     1.09511   112.20172    66.39929
   41    39 S   HC   _H21    75     1.09707   112.07129   -54.98589
   42    39 S   HC   _H22    76     1.09712   110.88876  -174.43401
   43    37 S   CMA  _C16    39     1.35198   127.39547  -124.06885
   44    43 S   OM   _O33    40     1.26243   128.67621  -175.91328
   45    43 S   CT   _C11    41     1.54269   119.01219     1.35927
   46    45 S   HC   _H3_    42     1.10365   108.28429  -136.96622
   47    45 S   CT   _C12    43     1.55251   109.80525   -26.34651
   48    47 S   HC   _H15    44     1.09929   108.61844   -66.52707
   49    47 S   HC   _H16    45     1.09544   111.35063   178.23941
   50    45 S   CT   _C9_    49     1.59181   115.19199   104.68813
   51    33 S   CT   _C13    46     1.54317   110.90342    53.40983
   52    51 S   HC   _H17    47     1.09402   112.29992    25.95756
   53    51 S   HC   _H18    48     1.09798   110.35243   -90.84170
   54    50 S   CT   _C10    50     1.54278   110.09297    84.51445
   55    54 S   HC   _H12    51     1.09557   111.51012   168.79507
   56    54 S   HC   _H13    52     1.09616   110.74414    51.72669
   57    54 S   HC   _H14    53     1.09328   112.38658   -69.90762
   58    50 S   CT   _C8_    54     1.55279   113.65913   -39.08709
   59    58 S   HC   _H10    55     1.09078   109.31096   -51.27338
   60    58 S   HC   _H11    56     1.09739   109.79164    65.22408
   61    50 S   OH   _O34    71     1.43591   107.73064  -159.70181
   62    61 S   HO   _H23    72     0.97131   108.76907  -164.92739
   63    58 S   CT   _C7_    57     1.53518   115.82736  -171.49920
   64    63 S   HC   _H8_    58     1.09424   111.21262    55.14754
   65    63 S   HC   _H9_    59     1.09562   110.50303   -62.42358
   66    63 S   CM   _C6_    60     1.50548   110.70121   178.15708
   67    66 S   HC   _H7_    61     1.08901   114.52820    87.98310
   68    66 S   CM   _C5_    62     1.34697   126.98724   -91.96256
   69    68 S   CT   _C4_    63     1.50478   120.68913  -179.51867
   70    69 S   HC   _H4_    64     1.09493   110.21710   121.19372
   71    69 S   HC   _H5_    65     1.09511   110.26253  -118.98776
   72    69 S   HC   _H6_    66     1.09510   112.37042     1.12414
   73    68 S   CT   _C18    67     1.50333   124.79028     1.73031
   74    73 S   HC   _H24    68     1.09484   109.94158   124.99524
   75    73 S   HC   _H25    69     1.09269   113.44042     5.37793
   76    73 S   HC   _H26    70     1.09475   110.14768  -115.67946
  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  14   5   8   3   2   1  11   4  18   8   9   5
   4  14   2   1   1   9   4   3   2  10   6   5   2   1   7   4
   3  10   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    51    52    53    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    48    49    51    52    53    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    51    52    53    50    39    40    41    42  
   43    44    45    51    39  
   40    41    42    43    47    51    52    53  
   41    42    51  
   42    51  
   51  
   44    45    46    47    48    49    51    50    54    58    61  
   45    46    47    50  
   46    47    48    49    51    52    53    50    54    55    56    57    58    59    60    63    61    62  
   47    48    49    51    50    54    58    61  
   48    49    51    52    53    50    54    58    61  
   49    51    52    53    50  
   51    52    53    50  
   54    55    56    57    58    59    60    63    64    65    66    61    62    51  
   52    53  
   53  
    0  
   55    56    57    58    59    60    63    61    62  
   56    57    58    61  
   57    58    61  
   58    61  
   59    60    63    64    65    66    67    68    61    62  
   60    63    64    65    66    61  
   63    64    65    66    61  
   62    63  
    0  
   64    65    66    67    68    69    73  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73    74    75    76  
   68    69    73  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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  -0.716200   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   50    54   268.000  1.529
   50    58   268.000  1.529
   50    61   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   317.000  1.510
   68    73   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   61    62   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    51    47    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    70.00000  112.02700
   43    45    50    70.00000  112.02700
   45    43    44    85.00000  112.85300
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    51    58.35000  112.70000
   45    50    54    58.35000  112.70000
   45    50    58    58.35000  112.70000
   45    50    61    50.00000  109.50000
   47    45    46    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   49    47    48    33.00000  107.80000
   51    33    37    70.00000  112.02700
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   53    51    52    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    63    58.35000  112.70000
   50    61    62    55.00000  108.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    54    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    70.00000  112.02700
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    66    67    35.00000  117.00000
   63    66    68    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    68    69    70.00000  124.00000
   66    68    73    70.00000  124.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  109.50000
   68    69    71    35.00000  109.50000
   68    69    72    35.00000  109.50000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    69    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   61    50    54    50.00000  109.50000
   61    50    58    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    51    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    51    47   0.44750  1.0 1.0
   29    33    51    47  -0.17800 -1.0 2.0
   29    33    51    47   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  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
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   37    33    51    47   0.34400  1.0 1.0
   37    33    51    47   0.09450 -1.0 2.0
   37    33    51    47   0.11100  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.15000  1.0 3.0
   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    43    45    46   0.00000  1.0 1.0
   37    43   -45    47   0.09850  1.0 1.0
   37    43   -45    47   0.15250 -1.0 2.0
   37    43   -45    47  -0.50650  1.0 3.0
   37    43    45    50   0.09850  1.0 1.0
   37    43    45    50   0.15250 -1.0 2.0
   37    43    45    50  -0.50650  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    45   7.00000 -1.0 2.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    49   0.15000  1.0 3.0
   43    45    47    51   0.34400  1.0 1.0
   43    45    47    51   0.09450 -1.0 2.0
   43    45    47    51   0.11100  1.0 3.0
   43    45    50    54   0.34400  1.0 1.0
   43    45    50    54   0.09450 -1.0 2.0
   43    45    50    54   0.11100  1.0 3.0
   43    45    50    58   0.34400  1.0 1.0
   43    45    50    58   0.09450 -1.0 2.0
   43    45    50    58   0.11100  1.0 3.0
   43    45    50    61   1.05650  1.0 1.0
   43    45    50    61   0.15600 -1.0 2.0
   43    45    50    61   0.53150  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.09700  1.0 1.0
   44    43    45    47   0.15600 -1.0 2.0
   44    43    45    47  -0.50800  1.0 3.0
   44    43    45    50   0.09700  1.0 1.0
   44    43    45    50   0.15600 -1.0 2.0
   44    43    45    50  -0.50800  1.0 3.0
   45    47   -51    33   0.56750  1.0 1.0
   45    47   -51    33  -0.07550 -1.0 2.0
   45    47   -51    33   0.20000  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    53   0.15000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    57   0.15000  1.0 3.0
   45    50    58    59   0.15000  1.0 3.0
   45    50    58    60   0.15000  1.0 3.0
   45    50    58    63   0.56750  1.0 1.0
   45    50    58    63  -0.07550 -1.0 2.0
   45    50    58    63   0.20000  1.0 3.0
   45    50    61    62  -0.11600  1.0 1.0
   45    50    61    62  -0.09450 -1.0 2.0
   45    50    61    62   0.21250  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   46    45    50    58   0.15000  1.0 3.0
   46    45    50    61   0.23400  1.0 3.0
   47    45    50    54   0.56750  1.0 1.0
   47    45    50    54  -0.07550 -1.0 2.0
   47    45    50    54   0.20000  1.0 3.0
   47    45    50    58   0.56750  1.0 1.0
   47    45    50    58  -0.07550 -1.0 2.0
   47    45    50    58   0.20000  1.0 3.0
   47    45    50    61   0.86500  1.0 1.0
   47    45    50    61  -0.17500 -1.0 2.0
   47    45    50    61   0.20800  1.0 3.0
   48    47    51    33   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   49    47    51    33   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    43   0.09850  1.0 1.0
   51    33   -37    43   0.15250 -1.0 2.0
   51    33   -37    43  -0.50650  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    41   0.15000  1.0 3.0
   51    33    39    42   0.15000  1.0 3.0
   50    45    47    48   0.15000  1.0 3.0
   50    45    47    49   0.15000  1.0 3.0
   50    45    47    51   0.56750  1.0 1.0
   50    45    47    51  -0.07550 -1.0 2.0
   50    45    47    51   0.20000  1.0 3.0
   50    58    63    64   0.15000  1.0 3.0
   50    58    63    65   0.15000  1.0 3.0
   50    58    63    66   0.34400  1.0 1.0
   50    58    63    66   0.09450 -1.0 2.0
   50    58    63    66   0.11100  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    63   0.56750  1.0 1.0
   54    50    58    63  -0.07550 -1.0 2.0
   54    50    58    63   0.20000  1.0 3.0
   54    50    61    62  -0.11600  1.0 1.0
   54    50    61    62  -0.09450 -1.0 2.0
   54    50    61    62   0.21250  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   0.15000  1.0 3.0
   58    50    61    62  -0.11600  1.0 1.0
   58    50    61    62  -0.09450 -1.0 2.0
   58    50    61    62   0.21250  1.0 3.0
   58    63    66    67   0.00000  1.0 1.0
   58    63    66    68   0.09850  1.0 1.0
   58    63    66    68   0.15250 -1.0 2.0
   58    63    66    68  -0.50650  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   63    66    68    69   7.00000 -1.0 2.0
   63    66    68    73   7.00000 -1.0 2.0
   64    63    66    67   0.33100  1.0 3.0
   64    63    66    68   0.00000  1.0 1.0
   65    63    66    67   0.33100  1.0 3.0
   65    63    66    68   0.00000  1.0 1.0
   66    68    69    70   0.00000  1.0 1.0
   66    68    69    71   0.00000  1.0 1.0
   66    68    69    72   0.00000  1.0 1.0
   66    68    73    74   0.00000  1.0 1.0
   66    68    73    75   0.00000  1.0 1.0
   66    68    73    76   0.00000  1.0 1.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    73   7.00000 -1.0 2.0
   69    68    73    74   0.34800  1.0 3.0
   69    68    73    75   0.34800  1.0 3.0
   69    68    73    76   0.34800  1.0 3.0
   73    68    69    70   0.34800  1.0 3.0
   73    68    69    71   0.34800  1.0 3.0
   73    68    69    72   0.34800  1.0 3.0
   61    50    54    55   0.23400  1.0 3.0
   61    50    54    56   0.23400  1.0 3.0
   61    50    54    57   0.23400  1.0 3.0
   61    50    58    59   0.23400  1.0 3.0
   61    50    58    60   0.23400  1.0 3.0
   61    50    58    63   0.86500  1.0 1.0
   61    50    58    63  -0.17500 -1.0 2.0
   61    50    58    63   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    51    47   0.56750  1.0 1.0
   39    33    51    47  -0.07550 -1.0 2.0
   39    33    51    47   0.20000  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    53   0.15000  1.0 3.0
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    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   63    67    66    68  15.00000 -1.0 2.0
   69    73    68    66  15.00000 -1.0 2.0
END
