* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    28.79659    96.44259   -22.73922
    2     1 S   H    _HN1     2     1.02823    37.44451   149.46952
    3     1 S   H    _H1_     3     1.02793   105.61303  -111.32258
    4     1 S   H    _H2_     4     1.02947    72.71270    -6.49902
    5     1 S   CT   _CA1     5     1.50143   138.04183    95.00411
    6     5 S   HC   _HA1     6     1.09578   105.13120    91.25312
    7     5 S   CO3  _C1_     7     1.53751   112.42376   -28.88112
    8     7 S   O2Z  _O11     8     1.26381   114.99115   -42.98834
    9     7 S   O2Z  _O12     9     1.26233   114.93382   135.83474
   10     5 S   CT   _CB1    10     1.53036   107.36461  -150.85002
   11    10 S   HC   HB11    11     1.09848   109.24865   -49.49616
   12    10 S   HC   HB12    12     1.09809   110.52075    67.07313
   13    10 S   CT   _CG1    13     1.53019   112.67199  -170.42977
   14    13 S   HC   HG11    14     1.09566   110.76554   -69.02730
   15    13 S   HC   HG12    15     1.09671   109.68683    50.21365
   16    13 S   C    _CD1    16     1.51824   111.82175   170.67949
   17    16 S   O    _OE1    17     1.22766   123.16503    15.09125
   18    16 S   N    _N2_    18     1.38577   111.87949  -164.75536
   19    18 S   H    _HN2    19     1.01572   118.89381    -0.38967
   20    18 S   CT1  _CA2    20     1.46178   123.52502   176.76046
   21    20 S   HC   _HA2    21     1.09730   109.23711    10.16792
   22    20 S   C    _C2_    22     1.53733   109.08181  -105.54553
   23    22 S   O    _O2_    23     1.23101   122.14911  -150.30879
   24    20 S   CT   _CB2    32     1.53448   111.51489   132.18293
   25    24 S   HC   HB21    33     1.09373   109.53203    58.66084
   26    24 S   HC   HB22    34     1.09491   109.67466   177.09788
   27    22 S   N    _N3_    24     1.38275   114.03711    37.11754
   28    27 S   H    _HN3    25     1.01522   119.63318    -3.08857
   29    24 S   S    _SG2    35     1.83173   111.27462   -63.88579
   30    27 S   CT   _CA3    26     1.45278   123.33660   177.35063
   31    30 S   HC   HA31    27     1.09546   107.49914   -65.31501
   32    30 S   HC   HA32    28     1.09555   108.01866    51.15640
   33    29 S   CT   _C12    36     1.93256   102.50284   159.05991
   34    30 S   CO3  _C3_    29     1.52992   114.02194   173.16852
   35    34 S   O2Z  _O31    30     1.26389   116.08935    -0.32924
   36    34 S   O2Z  _O32    31     1.26431   114.40679   179.72732
   37    33 S   CM   _C14    37     1.56552   113.89972   -62.30705
   38    33 S   CO4  _C13    55     1.54866   100.58949    54.64032
   39    38 S   O    _O34    56     1.23199   122.07656   -90.80790
   40    37 S   CM   _C19    38     1.36806   127.73121   169.07047
   41    38 S   CA   _C8_    57     1.49281   118.98851    84.91363
   42    40 S   CM   _C18    39     1.48106   120.88552  -177.59482
   43    41 S   CA   _C9_    58     1.40074   120.48430     4.01854
   44    42 S   CM   _C17    40     1.46599   117.41416    20.73530
   45    42 S   CMA  _C23    47     1.35931   120.19257  -161.22839
   46    45 S   OM   _O36    48     1.26432   131.89235  -178.49533
   47    43 S   CA   _C4_    59     1.40409   120.39032  -177.01345
   48    47 S   HA   _H4_    60     1.08706   120.58545  -179.87805
   49    43 S   CO4  _C10    69     1.48401   121.55611     3.97917
   50    49 S   O    _O33    70     1.22952   118.47050  -166.12320
   51    44 S   CM   _C16    41     1.33232   119.53356   -25.26778
   52    51 S   HC   _H6_    42     1.08219   122.88253  -175.44143
   53    44 S   OH   _O38    45     1.38049   120.11249   156.14314
   54    53 S   HO   _H8_    46     0.97532   107.56909     6.58157
   55    45 S   CM   _C22    49     1.46202   118.43403     4.19825
   56    55 S   HC   _H7_    50     1.09346   116.97066   164.81793
   57    47 S   CA   _C5_    61     1.39164   119.83112    -0.58484
   58    33 S   CT   _C11    71     1.57057   110.59163   171.66426
   59    58 S   OM   _O40    72     1.32386   110.72550    60.73177
   60    58 S   HC   _H3_    73     1.09946   107.45878  -169.68092
   61    37 S   CO4  _C15    43     1.52048   118.42651   -17.23112
   62    61 S   O    _O39    44     1.22632   124.17490   -29.41058
   63    55 S   CMA  _C21    51     1.34770   126.48268   -15.62664
   64    63 S   OM   _O37    52     1.26340   129.79169  -178.52528
   65    57 S   CA   _C6_    62     1.38811   120.63616    -0.08156
   66    65 S   HA   _H5_    63     1.08672   120.22413  -179.75934
   67    57 S   OH   _O42    67     1.36606   121.11726  -179.82641
   68    67 S   HO   _H10    68     0.97252   108.62927     0.02798
   69    40 S   CO4  _C20    53     1.51207   123.83092     1.68458
   70    69 S   O    _O35    54     1.22724   123.02063   -33.54022
   71    41 S   CA   _C7_    64     1.40724   120.88557  -173.90265
   72    71 S   OH   _O41    65     1.37027   123.57553    -2.45368
   73    72 S   HO   _H9_    66     0.97408   108.68805    -3.28158
  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  11   5   4   3
  17   2   1   1  18  13   4  14  12  13  12  10   8   3  10   4
   6   3   5   3   2   1   5   3   6   3   1   1   2   1   3   2
   6   3   2   1   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    61    38    39    41    49    58    59    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    61    62    69    38    39    41    43    71    49    50    58    59    60  
   35    36  
   36  
    0  
   40    42    44    51    52    61    62    45    63    69    70    38    39    41    49    58    59    60  
   39    41    43    47    65    71    72    49    58    59    60    40    61  
   41    43    71    58  
   42    44    51    61    62    53    45    46    55    63    64    69    70    58  
   43    47    48    57    65    66    71    72    73    49    50    58  
   44    51    52    61    53    54    45    46    55    56    63    69    70  
   47    48    57    65    71    72    67    49    50    58    59    60  
   51    52    61    62    53    54    45    46    55    69  
   46    55    56    63    64    69    51    53  
   55    56    63  
   48    57    65    66    71    67    68    49    50    58  
   57    65    67    49  
   50    58    59    60    57    71  
   58    59    60  
   52    61    62    53    54  
   61    62    53  
   54    61  
    0  
   56    63    64    69    70  
   63    64    69  
   65    66    71    72    67    68  
   59    60    61  
   60  
    0  
   62    69  
    0  
   64    69    70  
   69    70  
   66    71    72    73    67    68  
   71    72    67  
   68    71  
    0  
   70  
    0  
   72    73  
   73  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   64   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    58   268.000  1.529
   37    40   549.000  1.340
   37    61   320.000  1.462
   40    42   380.000  1.444
   40    69   320.000  1.462
   42    44   380.000  1.444
   42    45   465.000  1.376
   44    51   549.000  1.340
   44    53   510.000  1.338
   51    52   340.000  1.080
   51    61   320.000  1.462
   61    62   570.000  1.229
   53    54   553.000  0.945
   45    46   745.000  1.250
   45    55   465.000  1.376
   55    56   340.000  1.080
   55    63   465.000  1.376
   63    64   745.000  1.250
   63    69   270.000  1.476
   69    70   570.000  1.229
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    71   469.000  1.400
   43    47   469.000  1.400
   43    49   310.000  1.470
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    65   469.000  1.400
   57    67   450.000  1.364
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   553.000  0.945
   49    50   570.000  1.229
   49    58   317.000  1.522
   58    59   570.000  1.307
   58    60   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    38    75.00000  110.18000
   29    33    58    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    61    65.00000  116.34900
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    58    49    63.00000  111.10000
   33    58    59    50.00000  109.50000
   33    58    60    37.50000  110.70000
   37    40    42    70.00000  123.01800
   37    40    69    65.00000  118.96000
   37    61    51    65.00000  118.65900
   37    61    62    80.00000  123.72100
   40    42    44    70.00000  123.01800
   40    42    45    70.00000  117.34000
   40    69    63    65.00000  118.65900
   40    69    70    80.00000  123.72100
   42    44    51    70.00000  123.01800
   42    44    53    80.00000  121.38400
   42    45    46    65.00000  137.10300
   42    45    55    70.00000  123.01800
   44    51    52    35.00000  120.00000
   44    51    61    65.00000  118.96000
   44    53    54    70.00000  107.45700
   51    61    62    80.00000  123.72100
   61    37    40    65.00000  118.96000
   61    51    52    40.00000  117.72500
   53    44    51    80.00000  121.38400
   45    42    44    70.00000  117.34000
   45    55    56    40.00000  120.50800
   45    55    63    70.00000  117.34000
   55    45    46    65.00000  137.10300
   55    63    64    65.00000  137.10300
   55    63    69    65.00000  114.61000
   63    55    56    40.00000  120.50800
   63    69    70    80.00000  120.81000
   69    40    42    65.00000  118.96000
   69    63    64    85.00000  116.28000
   38    33    37    70.00000  109.06800
   38    41    43    60.00000  119.52600
   38    41    71    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  119.52600
   41    71    65    63.00000  120.00000
   41    71    72    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    75.00000  123.78400
   43    49    58    65.00000  115.47100
   47    57    65    63.00000  120.00000
   47    57    67    70.00000  120.00000
   57    47    48    35.00000  120.00000
   57    65    66    35.00000  120.00000
   57    65    71    63.00000  120.00000
   57    67    68    35.00000  113.00000
   65    71    72    70.00000  120.00000
   71    41    43    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    57    65    70.00000  120.00000
   49    43    47    60.00000  119.52600
   49    58    59    90.00000  108.74100
   49    58    60    35.00000  109.50000
   58    33    37    70.00000  112.02700
   58    33    38    63.00000  111.10000
   58    49    50    80.00000  120.40000
   60    58    59    45.00000  125.66300
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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    61   0.09700  1.0 1.0
   29    33    37    61   0.15600 -1.0 2.0
   29    33    37    61  -0.50800  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    58    49   0.56750  1.0 1.0
   29    33    58    49  -0.07550 -1.0 2.0
   29    33    58    49   0.20000  1.0 3.0
   29    33    58    59   0.56750  1.0 1.0
   29    33    58    59  -0.07550 -1.0 2.0
   29    33    58    59   0.20000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    37    40    42   7.00000 -1.0 2.0
   33    37    40    69   7.00000 -1.0 2.0
   33    37    61    51   1.50000 -1.0 2.0
   33    37    61    62  -0.64400  1.0 1.0
   33    37    61    62   0.26850 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    71   2.26350  1.0 1.0
   33    38    41    71   0.76750 -1.0 2.0
   33    38    41    71   0.22500  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    58    49  -0.98800  1.0 1.0
   37    33    58    49   0.48800 -1.0 2.0
   37    33    58    49   0.76800  1.0 3.0
   37    33    58    59   0.61850  1.0 1.0
   37    33    58    59  -0.22750 -1.0 2.0
   37    33    58    59   0.15300  1.0 3.0
   37    33    58    60   0.15000  1.0 3.0
   37    40    42    44   0.28850  1.0 1.0
   37    40    42    44   2.61350 -1.0 2.0
   37    40    42    44   0.78400  1.0 3.0
   37    40    42    45   0.28850  1.0 1.0
   37    40    42    45   2.61350 -1.0 2.0
   37    40    42    45   0.78400  1.0 3.0
   37    40    69    63  -1.18350  1.0 1.0
   37    40    69    63   1.45950 -1.0 2.0
   37    40    69    70   1.00000 -1.0 2.0
   40    37    61    51  -1.18350  1.0 1.0
   40    37    61    51   1.45950 -1.0 2.0
   40    37    61    62   1.00000 -1.0 2.0
   40    42   -44    51   0.28850  1.0 1.0
   40    42   -44    51   2.61350 -1.0 2.0
   40    42   -44    51   0.78400  1.0 3.0
   40    42    44    53   0.50950  1.0 1.0
   40    42    44    53   0.56650 -1.0 2.0
   40    42    44    53   0.34050  1.0 3.0
   40    42    45    46   7.00000 -1.0 2.0
   40    42    45    55   7.00000 -1.0 2.0
   42    40    69    63  -1.18350  1.0 1.0
   42    40    69    63   1.45950 -1.0 2.0
   42    40    69    70   1.00000 -1.0 2.0
   42    44    51    52   7.00000 -1.0 2.0
   42    44    51    61   7.00000 -1.0 2.0
   42    44    53    54  -0.66100  1.0 1.0
   42    44    53    54   1.20850 -1.0 2.0
   42    44    53    54  -0.36000  1.0 3.0
   42    45    55    56   7.00000 -1.0 2.0
   42    45   -55    63   7.00000 -1.0 2.0
   44    42    45    46   7.00000 -1.0 2.0
   44    42    45    55   7.00000 -1.0 2.0
   44    51   -61    37  -1.18350  1.0 1.0
   44    51   -61    37   1.45950 -1.0 2.0
   44    51    61    62   1.00000 -1.0 2.0
   51    44    53    54  -0.66100  1.0 1.0
   51    44    53    54   1.20850 -1.0 2.0
   51    44    53    54  -0.36000  1.0 3.0
   52    51    61    37   0.93700 -1.0 2.0
   52    51    61    62   0.00000  1.0 1.0
   61    37   -40    42   7.00000 -1.0 2.0
   61    37    40    69   7.00000 -1.0 2.0
   53    44    51    52   7.00000 -1.0 2.0
   53    44    51    61   7.00000 -1.0 2.0
   45    42    44    51   0.28850  1.0 1.0
   45    42    44    51   2.61350 -1.0 2.0
   45    42    44    51   0.78400  1.0 3.0
   45    42    44    53   0.50950  1.0 1.0
   45    42    44    53   0.56650 -1.0 2.0
   45    42    44    53   0.34050  1.0 3.0
   45    55    63    64   7.00000 -1.0 2.0
   45    55    63    69   7.00000 -1.0 2.0
   46    45    55    56   7.00000 -1.0 2.0
   46    45    55    63   7.00000 -1.0 2.0
   55    63   -69    40  -1.18350  1.0 1.0
   55    63   -69    40   1.45950 -1.0 2.0
   55    63    69    70   1.00000 -1.0 2.0
   56    55    63    64   7.00000 -1.0 2.0
   56    55    63    69   7.00000 -1.0 2.0
   64    63    69    40   1.50000 -1.0 2.0
   64    63    69    70  -0.11900  1.0 1.0
   64    63    69    70   0.76850 -1.0 2.0
   64    63    69    70   0.14100  1.0 3.0
   69    40    42    44  -0.18600  1.0 3.0
   69    40   -42    45  -0.18600  1.0 3.0
   38    33    37    40  -0.51250  1.0 1.0
   38    33    37    40  -0.88800 -1.0 2.0
   38    33    37    40   0.08850  1.0 3.0
   38    33    37    61   0.09700  1.0 1.0
   38    33    37    61   0.15600 -1.0 2.0
   38    33    37    61  -0.50800  1.0 3.0
   38    33    58    49   0.11950  1.0 1.0
   38    33    58    49   0.20300 -1.0 2.0
   38    33    58    49  -0.70800  1.0 3.0
   38    33    58    59  -0.09450  1.0 1.0
   38    33    58    59  -1.12950 -1.0 2.0
   38    33    58    59   0.54000  1.0 3.0
   38    33    58    60  -0.11250  1.0 3.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    71    65   3.62500 -1.0 2.0
   38    41    71    72   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    71   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50   1.05000 -1.0 2.0
   41    43    49    58   2.26350  1.0 1.0
   41    43    49    58   0.76750 -1.0 2.0
   41    43    49    58   0.22500  1.0 3.0
   41    71    72    73   0.84100 -1.0 2.0
   43    41    71    65   3.62500 -1.0 2.0
   43    41    71    72   3.62500 -1.0 2.0
   43    47   -57    65   3.62500 -1.0 2.0
   43    47    57    67   3.62500 -1.0 2.0
   43    49   -58    33   0.05850 -1.0 2.0
   43    49   -58    33   0.17250  1.0 3.0
   43    49    58    59   0.65300  1.0 1.0
   43    49    58    59  -0.03850 -1.0 2.0
   43    49    58    59   0.33900  1.0 3.0
   43    49    58    60   0.00000  1.0 1.0
   47    43    49    50   1.05000 -1.0 2.0
   47    43    49    58   2.26350  1.0 1.0
   47    43    49    58   0.76750 -1.0 2.0
   47    43    49    58   0.22500  1.0 3.0
   47    57    65    66   3.62500 -1.0 2.0
   47    57    65    71   3.62500 -1.0 2.0
   47    57    67    68   0.84100 -1.0 2.0
   48    47    57    65   3.62500 -1.0 2.0
   48    47    57    67   3.62500 -1.0 2.0
   57    65   -71    41   3.62500 -1.0 2.0
   57    65    71    72   3.62500 -1.0 2.0
   65    57    67    68   0.84100 -1.0 2.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    41   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    41   -43    47   3.62500 -1.0 2.0
   71    41    43    49   3.62500 -1.0 2.0
   67    57    65    66   3.62500 -1.0 2.0
   67    57    65    71   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   50    49    58    33   0.30150 -1.0 2.0
   50    49    58    59   0.30150 -1.0 2.0
   50    49    58    60   0.00000  1.0 1.0
   58    33    37    40   0.09850  1.0 1.0
   58    33    37    40   0.15250 -1.0 2.0
   58    33    37    40  -0.50650  1.0 3.0
   58    33    37    61   0.09700  1.0 1.0
   58    33    37    61   0.15600 -1.0 2.0
   58    33    37    61  -0.50800  1.0 3.0
   58    33    38    39   0.30150 -1.0 2.0
   58    33   -38    41   0.05850 -1.0 2.0
   58    33   -38    41   0.17250  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    61    37    40   1.10000 -1.0 2.0
   42    69    40    37   1.10000 -1.0 2.0
   40    44    42    45   1.10000 -1.0 2.0
   42    53    44    51   1.10000 -1.0 2.0
   61    52    51    44   1.10000 -1.0 2.0
   37    51    61    62  10.50000 -1.0 2.0
   55    46    45    42   1.10000 -1.0 2.0
   45    56    55    63   1.10000 -1.0 2.0
   69    64    63    55   1.10000 -1.0 2.0
   40    63    69    70  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    71    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   65    67    57    47   4.00000 -1.0 2.0
   71    66    65    57   1.10000 -1.0 2.0
   65    72    71    41   4.00000 -1.0 2.0
   43    58    49    50  10.50000 -1.0 2.0
END
