* LIGAND DATABASE FILE (OPLS2005)
*
001      72    76    129    219     384
    1     0 S   NP   _N1_     1    30.42855    94.60547   -28.48447
    2     1 S   H    _HN1     2     1.02947   133.22394   -67.00662
    3     1 S   H    _H1_     3     1.02827    30.04064   -32.16546
    4     1 S   H    _H2_     4     1.02791    83.63365  -176.31703
    5     1 S   CT   _CA1     5     1.50123   105.59987    72.38896
    6     5 S   HC   _HA1     6     1.09573   105.16408    28.02202
    7     5 S   CO3  _C1_     7     1.53780   112.53098   -92.17637
    8     7 S   O2Z  _O11     8     1.26374   115.00490   -40.87932
    9     7 S   O2Z  _O12     9     1.26242   114.95163   138.22132
   10     5 S   CT   _CB1    10     1.53073   107.41645   146.01892
   11    10 S   HC   HB11    11     1.09837   109.33913   -49.34679
   12    10 S   HC   HB12    12     1.09811   110.45791    67.26035
   13    10 S   CT   _CG1    13     1.53003   112.63242  -170.30176
   14    13 S   HC   HG11    14     1.09573   110.69075   -67.05670
   15    13 S   HC   HG12    15     1.09672   109.72120    52.18116
   16    13 S   C    _CD1    16     1.51803   112.13048   172.65311
   17    16 S   O    _OE1    17     1.22737   123.24869    10.34534
   18    16 S   N    _N2_    18     1.38658   111.73810  -169.68693
   19    18 S   H    _HN2    19     1.01575   118.92379     1.57855
   20    18 S   CT1  _CA2    20     1.46213   123.40564   176.81783
   21    20 S   HC   _HA2    21     1.09738   109.34309     6.37461
   22    20 S   C    _C2_    22     1.53638   108.70617  -109.12926
   23    22 S   O    _O2_    23     1.23069   122.25815  -147.97548
   24    20 S   CT   _CB2    32     1.53370   111.56575   128.42453
   25    24 S   HC   HB21    33     1.09534   109.89395    56.28084
   26    24 S   HC   HB22    34     1.09442   109.86953   175.23873
   27    22 S   N    _N3_    24     1.38314   113.81412    39.46952
   28    27 S   H    _HN3    25     1.01555   119.63180    -3.08109
   29    24 S   S    _SG2    35     1.82865   111.35690   -65.01196
   30    27 S   CT   _CA3    26     1.45288   123.26321   177.25234
   31    30 S   HC   HA31    27     1.09548   107.49844   -65.13494
   32    30 S   HC   HA32    28     1.09556   108.01180    51.32563
   33    29 S   CT   _C23    36     1.86149   100.19409   174.26892
   34    30 S   CO3  _C3_    29     1.52974   114.04124   173.33653
   35    34 S   O2Z  _O31    30     1.26383   116.07018    -0.48698
   36    34 S   O2Z  _O32    31     1.26424   114.42021   179.57158
   37    33 S   CO4  _C22    37     1.53090   108.70657    64.13630
   38    37 S   O    _O37    38     1.22993   122.23864  -102.24058
   39    33 S   CM   _C14    50     1.53133   111.38680   178.61761
   40    37 S   CM   _C17    39     1.50572   115.95699    76.99178
   41    39 S   CM   _C12    51     1.35880   118.31335   133.71211
   42    40 S   CM   _C18    40     1.34085   117.90663  -167.36824
   43    42 S   HC   _H5_    41     1.08426   123.26047    -4.01435
   44    41 S   CM   _C13    52     1.44904   119.59545     1.14055
   45    42 S   CO4  _C19    42     1.48341   120.14645   173.63644
   46    45 S   O    _O36    43     1.22622   121.07288   175.48126
   47    44 S   CM   _C8_    53     1.34728   122.00622  -164.52314
   48    44 S   OS   _O34    69     1.38117   113.99189    22.28593
   49    45 S   CM   _C20    44     1.48208   117.77499    -6.25298
   50    49 S   HC   _H6_    45     1.08397   117.39805  -173.89925
   51    47 S   CM   _C9_    54     1.49528   118.26376     3.42451
   52    33 S   OS   _O38    70     1.42446   107.15937   -59.27442
   53    49 S   CM   _C21    46     1.33909   120.91407     6.17076
   54    51 S   CM   _C4_    55     1.47766   116.86306   165.82908
   55    54 S   HC   _H3_    56     1.08545   119.02477  -172.65054
   56    51 S   CMA  _C10    65     1.36373   123.40522   -15.46236
   57    56 S   OM   _O33    66     1.26604   131.00848  -178.45376
   58    40 S   CM   _C16    47     1.47666   120.02651     7.87863
   59    54 S   CM   _C5_    57     1.34459   120.71295     7.63468
   60    41 S   CO4  _C11    67     1.49884   125.30959   173.16643
   61    60 S   O    _O40    68     1.22873   122.09514   -33.38997
   62    53 S   OH   _O35    71     1.38307   119.19182  -179.96574
   63    62 S   HO   _H7_    72     0.97551   107.93352  -176.82072
   64    58 S   CMA  _C15    48     1.36719   119.44139    12.74141
   65    64 S   OM   _O39    49     1.26387   132.02021  -171.02701
   66    59 S   CM   _C6_    58     1.44728   121.75275     0.50046
   67    66 S   HC   _H4_    59     1.08562   117.84622   175.14715
   68    59 S   OH   _O42    63     1.37534   123.47236   179.55943
   69    68 S   HO   _H9_    64     0.97273   107.92990     0.36797
   70    47 S   CM   _C7_    60     1.47929   124.00578  -179.03227
   71    70 S   OH   _O41    61     1.38127   120.25019    11.38522
   72    71 S   HO   _H8_    62     0.97075   109.14543     3.63992
  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   9   5   4   3
  13   2   1   1  12   5  13  11  13   8   4  12   6   3  14   4
   6   3  11   1   5  10   4   5   2   4   6   2   1   2   1   1
   1   6   3   2   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    39    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    64    39    41    48    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    42    58    64    65    39    41    44    60    48    52  
   35    36  
   36  
    0  
   38    40    42    43    45    53    58    64    39    41    48    52  
   40    42    58    39    52  
   41    44    47    56    60    61    48    52    40    53    58    64    65  
   42    43    45    46    49    53    58    64    65    52    62  
   44    47    51    70    56    57    60    61    48    52    58    64    65  
   43    45    46    49    50    53    58    64  
   45    46    49    58  
   47    51    54    66    70    71    56    60    61    48    52    64  
   46    49    50    53    58    62  
   49    50    53  
   51    54    55    59    66    67    70    71    72    56    57    60    48    52  
   52    51    60    70  
   50    53    58    64    62    63  
   53    58    62  
   54    55    59    66    70    71    68    56    57    60    61  
   64  
   58    64    65    62    63  
   55    59    66    67    70    68    69    56    57    60  
   59    66    68    56  
   57    60    61    59    70  
   60    61  
   64    65    62    63  
   66    67    70    71    68    69  
   61    64  
    0  
   63    64  
    0  
   65  
    0  
   67    70    71    72    68    69  
   70    71    68  
   69    70  
    0  
   71    72  
   72  
    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   0.367500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.9000   0.1400  -0.085000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   71   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.355200   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  1.522
   33    39   317.000  1.510
   33    52   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    42   549.000  1.340
   40    58   380.000  1.444
   42    43   340.000  1.080
   42    45   320.000  1.462
   45    46   570.000  1.229
   45    49   320.000  1.462
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    58   380.000  1.444
   53    62   510.000  1.338
   58    64   465.000  1.376
   64    65   745.000  1.250
   64    39   465.000  1.376
   39    41   549.000  1.340
   41    44   380.000  1.444
   41    60   320.000  1.462
   44    47   549.000  1.340
   44    48   440.000  1.360
   47    51   380.000  1.444
   47    70   380.000  1.444
   51    54   380.000  1.444
   51    56   465.000  1.376
   54    55   340.000  1.080
   54    59   549.000  1.340
   59    66   380.000  1.444
   59    68   510.000  1.338
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   510.000  1.338
   71    72   553.000  0.945
   68    69   553.000  0.945
   56    57   745.000  1.250
   56    60   270.000  1.476
   60    61   570.000  1.229
   48    52   245.000  1.492
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    39    75.00000  112.20000
   29    33    52    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    39    64    70.00000  124.00000
   33    39    41    70.00000  124.00000
   33    52    48   125.00000  107.00000
   37    40    42    65.00000  118.96000
   37    40    58    65.00000  118.96000
   40    37    38    80.00000  123.72100
   40    42    43    35.00000  120.00000
   40    42    45    65.00000  118.96000
   40    58    53    70.00000  123.01800
   40    58    64    70.00000  117.34000
   42    45    46    80.00000  123.72100
   42    45    49    65.00000  118.65900
   45    42    43    40.00000  117.72500
   45    49    50    40.00000  117.72500
   45    49    53    65.00000  118.96000
   49    45    46    80.00000  123.72100
   49    53    58    70.00000  123.01800
   49    53    62    80.00000  121.38400
   53    49    50    35.00000  120.00000
   53    58    64    70.00000  117.34000
   53    62    63    70.00000  107.45700
   58    40    42    70.00000  123.01800
   58    64    65    65.00000  137.10300
   58    64    39    70.00000  123.01800
   64    39    41    70.00000  117.34000
   39    33    37    70.00000  109.06800
   39    64    65    65.00000  137.10300
   39    41    44    70.00000  123.01800
   39    41    60    65.00000  118.96000
   41    44    47    70.00000  123.01800
   41    44    48    80.00000  120.01400
   41    60    56    65.00000  118.65900
   41    60    61    80.00000  123.72100
   44    47    51    70.00000  123.01800
   44    47    70    70.00000  123.01800
   44    48    52   120.00000  108.00000
   47    51    54    70.00000  123.01800
   47    51    56    70.00000  117.34000
   47    70    66    70.00000  123.01800
   47    70    71    80.00000  121.38400
   51    54    55    35.00000  120.00000
   51    54    59    70.00000  123.01800
   51    56    57    65.00000  137.10300
   51    56    60    65.00000  114.61000
   54    59    66    70.00000  123.01800
   54    59    68    80.00000  121.38400
   59    54    55    35.00000  120.00000
   59    66    67    35.00000  120.00000
   59    66    70    70.00000  123.01800
   59    68    69    70.00000  107.45700
   66    70    71    80.00000  121.38400
   70    47    51    70.00000  123.01800
   70    66    67    35.00000  120.00000
   70    71    72    70.00000  107.45700
   68    59    66    80.00000  121.38400
   56    51    54    70.00000  117.34000
   56    60    61    80.00000  120.81000
   60    41    44    65.00000  118.96000
   60    56    57    85.00000  116.28000
   48    44    47    80.00000  120.01400
   52    33    37    90.00000  108.74100
   52    33    39    85.00000  110.90400
   62    53    58    80.00000  121.38400
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    52   0.13850  1.0 1.0
   24    29    33    52  -1.34450 -1.0 2.0
   24    29    33    52   0.57400  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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    39    64   0.42700  1.0 1.0
   29    33    39    64  -0.70350 -1.0 2.0
   29    33    39    64  -0.43150  1.0 3.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   29    33    52    48   0.37500  1.0 3.0
   33    37    40    42  -0.33500  1.0 1.0
   33    37    40    42   1.06600 -1.0 2.0
   33    37    40    42  -0.14000  1.0 3.0
   33    37    40    58  -0.33500  1.0 1.0
   33    37    40    58   1.06600 -1.0 2.0
   33    37    40    58  -0.14000  1.0 3.0
   33    39    41    44   7.00000 -1.0 2.0
   33    39    41    60   7.00000 -1.0 2.0
   37    33    39    64  -0.51250  1.0 1.0
   37    33    39    64  -0.88800 -1.0 2.0
   37    33    39    64   0.08850  1.0 3.0
   37    33    39    41  -0.51250  1.0 1.0
   37    33    39    41  -0.88800 -1.0 2.0
   37    33    39    41   0.08850  1.0 3.0
   37    33    52    48   0.37500  1.0 3.0
   37    40    42    43   7.00000 -1.0 2.0
   37    40    42    45   7.00000 -1.0 2.0
   37    40    58    53  -0.18600  1.0 3.0
   37    40   -58    64  -0.18600  1.0 3.0
   38    37    40    42   1.00000 -1.0 2.0
   38    37    40    58   1.00000 -1.0 2.0
   40    42    45    46   1.00000 -1.0 2.0
   40    42    45    49  -1.18350  1.0 1.0
   40    42    45    49   1.45950 -1.0 2.0
   40    58    64    65   7.00000 -1.0 2.0
   40    58    64    39   7.00000 -1.0 2.0
   42    40    58    53   0.28850  1.0 1.0
   42    40    58    53   2.61350 -1.0 2.0
   42    40    58    53   0.78400  1.0 3.0
   42    40    58    64   0.28850  1.0 1.0
   42    40    58    64   2.61350 -1.0 2.0
   42    40    58    64   0.78400  1.0 3.0
   42    45    49    50   0.93700 -1.0 2.0
   42    45   -49    53  -1.18350  1.0 1.0
   42    45   -49    53   1.45950 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    49   0.93700 -1.0 2.0
   45    49    53    58   7.00000 -1.0 2.0
   45    49    53    62   7.00000 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    53   1.00000 -1.0 2.0
   49    53   -58    40   0.28850  1.0 1.0
   49    53   -58    40   2.61350 -1.0 2.0
   49    53   -58    40   0.78400  1.0 3.0
   49    53    58    64   0.28850  1.0 1.0
   49    53    58    64   2.61350 -1.0 2.0
   49    53    58    64   0.78400  1.0 3.0
   49    53    62    63  -0.66100  1.0 1.0
   49    53    62    63   1.20850 -1.0 2.0
   49    53    62    63  -0.36000  1.0 3.0
   50    49    53    58   7.00000 -1.0 2.0
   50    49    53    62   7.00000 -1.0 2.0
   53    58    64    65   7.00000 -1.0 2.0
   53    58    64    39   7.00000 -1.0 2.0
   58    40    42    43   7.00000 -1.0 2.0
   58    40   -42    45   7.00000 -1.0 2.0
   58    53    62    63  -0.66100  1.0 1.0
   58    53    62    63   1.20850 -1.0 2.0
   58    53    62    63  -0.36000  1.0 3.0
   58    64   -39    33   7.00000 -1.0 2.0
   58    64    39    41   7.00000 -1.0 2.0
   64    39    41    44   7.00000 -1.0 2.0
   64    39    41    60   7.00000 -1.0 2.0
   65    64    39    33   7.00000 -1.0 2.0
   65    64    39    41   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    40   0.65300  1.0 1.0
   39    33   -37    40  -0.03850 -1.0 2.0
   39    33   -37    40   0.33900  1.0 3.0
   39    33    52    48   0.37500  1.0 3.0
   39    41    44    47   0.28850  1.0 1.0
   39    41    44    47   2.61350 -1.0 2.0
   39    41    44    47   0.78400  1.0 3.0
   39    41   -44    48  -0.51250  1.0 1.0
   39    41   -44    48   1.23350 -1.0 2.0
   39    41    60    56  -1.18350  1.0 1.0
   39    41    60    56   1.45950 -1.0 2.0
   39    41    60    61   1.00000 -1.0 2.0
   41    44    47    51   7.00000 -1.0 2.0
   41    44    47    70   7.00000 -1.0 2.0
   41    44    48    52   2.00000 -1.0 2.0
   44    41    60    56  -1.18350  1.0 1.0
   44    41    60    56   1.45950 -1.0 2.0
   44    41    60    61   1.00000 -1.0 2.0
   44    47    51    54   0.28850  1.0 1.0
   44    47    51    54   2.61350 -1.0 2.0
   44    47    51    54   0.78400  1.0 3.0
   44    47   -51    56   0.28850  1.0 1.0
   44    47   -51    56   2.61350 -1.0 2.0
   44    47   -51    56   0.78400  1.0 3.0
   44    47    70    66   0.28850  1.0 1.0
   44    47    70    66   2.61350 -1.0 2.0
   44    47    70    66   0.78400  1.0 3.0
   44    47    70    71   0.50950  1.0 1.0
   44    47    70    71   0.56650 -1.0 2.0
   44    47    70    71   0.34050  1.0 3.0
   44    48   -52    33  -2.50000 -1.0 2.0
   47    44    48    52   2.00000 -1.0 2.0
   47    51    54    55  -0.18600  1.0 3.0
   47    51    54    59   0.28850  1.0 1.0
   47    51    54    59   2.61350 -1.0 2.0
   47    51    54    59   0.78400  1.0 3.0
   47    51    56    57   7.00000 -1.0 2.0
   47    51    56    60   7.00000 -1.0 2.0
   47    70    71    72  -0.66100  1.0 1.0
   47    70    71    72   1.20850 -1.0 2.0
   47    70    71    72  -0.36000  1.0 3.0
   51    47    70    66   0.28850  1.0 1.0
   51    47    70    66   2.61350 -1.0 2.0
   51    47    70    66   0.78400  1.0 3.0
   51    47    70    71   0.50950  1.0 1.0
   51    47    70    71   0.56650 -1.0 2.0
   51    47    70    71   0.34050  1.0 3.0
   51    54   -59    66   7.00000 -1.0 2.0
   51    54    59    68   7.00000 -1.0 2.0
   51    56   -60    41  -1.18350  1.0 1.0
   51    56   -60    41   1.45950 -1.0 2.0
   51    56    60    61   1.00000 -1.0 2.0
   54    51    56    57   7.00000 -1.0 2.0
   54    51    56    60   7.00000 -1.0 2.0
   54    59    66    67  -0.18600  1.0 3.0
   54    59    66    70   0.28850  1.0 1.0
   54    59    66    70   2.61350 -1.0 2.0
   54    59    66    70   0.78400  1.0 3.0
   54    59    68    69  -0.66100  1.0 1.0
   54    59    68    69   1.20850 -1.0 2.0
   54    59    68    69  -0.36000  1.0 3.0
   55    54    59    66   7.00000 -1.0 2.0
   55    54    59    68   7.00000 -1.0 2.0
   59    66   -70    47   7.00000 -1.0 2.0
   59    66    70    71   7.00000 -1.0 2.0
   66    59    68    69  -0.66100  1.0 1.0
   66    59    68    69   1.20850 -1.0 2.0
   66    59    68    69  -0.36000  1.0 3.0
   66    70    71    72  -0.66100  1.0 1.0
   66    70    71    72   1.20850 -1.0 2.0
   66    70    71    72  -0.36000  1.0 3.0
   67    66    70    47   7.00000 -1.0 2.0
   67    66    70    71   7.00000 -1.0 2.0
   70    47   -51    54   0.28850  1.0 1.0
   70    47   -51    54   2.61350 -1.0 2.0
   70    47   -51    54   0.78400  1.0 3.0
   70    47    51    56   0.28850  1.0 1.0
   70    47    51    56   2.61350 -1.0 2.0
   70    47    51    56   0.78400  1.0 3.0
   68    59    66    67   0.00000  1.0 1.0
   68    59    66    70   0.50950  1.0 1.0
   68    59    66    70   0.56650 -1.0 2.0
   68    59    66    70   0.34050  1.0 3.0
   56    51    54    55  -0.18600  1.0 3.0
   56    51    54    59   0.28850  1.0 1.0
   56    51    54    59   2.61350 -1.0 2.0
   56    51    54    59   0.78400  1.0 3.0
   57    56    60    41   1.50000 -1.0 2.0
   57    56    60    61  -0.11900  1.0 1.0
   57    56    60    61   0.76850 -1.0 2.0
   57    56    60    61   0.14100  1.0 3.0
   60    41   -44    47  -0.18600  1.0 3.0
   60    41    44    48   1.08500 -1.0 2.0
   48    44    47    51   7.00000 -1.0 2.0
   48    44    47    70   7.00000 -1.0 2.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33    37    40   0.65300  1.0 1.0
   52    33    37    40  -0.03850 -1.0 2.0
   52    33    37    40   0.33900  1.0 3.0
   52    33    39    64   0.39000  1.0 1.0
   52    33    39    64  -0.05800 -1.0 2.0
   52    33    39    64  -0.55150  1.0 3.0
   52    33   -39    41   0.39000  1.0 1.0
   52    33   -39    41  -0.05800 -1.0 2.0
   52    33   -39    41  -0.55150  1.0 3.0
   62    53    58    40   0.50950  1.0 1.0
   62    53    58    40   0.56650 -1.0 2.0
   62    53    58    40   0.34050  1.0 3.0
   62    53    58    64   0.50950  1.0 1.0
   62    53    58    64   0.56650 -1.0 2.0
   62    53    58    64   0.34050  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    40    37    38  10.50000 -1.0 2.0
   37    58    40    42   1.10000 -1.0 2.0
   45    43    42    40   1.10000 -1.0 2.0
   42    49    45    46  10.50000 -1.0 2.0
   45    50    49    53   1.10000 -1.0 2.0
   58    62    53    49   1.10000 -1.0 2.0
   40    53    58    64   1.10000 -1.0 2.0
   39    65    64    58   1.10000 -1.0 2.0
   33    64    39    41   1.10000 -1.0 2.0
   44    60    41    39   1.10000 -1.0 2.0
   41    48    44    47   1.10000 -1.0 2.0
   51    70    47    44   1.10000 -1.0 2.0
   47    54    51    56   1.10000 -1.0 2.0
   51    55    54    59   1.10000 -1.0 2.0
   66    68    59    54   1.10000 -1.0 2.0
   59    67    66    70   1.10000 -1.0 2.0
   47    71    70    66   1.10000 -1.0 2.0
   60    57    56    51   1.10000 -1.0 2.0
   41    56    60    61  10.50000 -1.0 2.0
END
