* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    229     427
    1     0 S   NP   _N1_     1    28.72864    94.79841   -22.64129
    2     1 S   H    _HN1     2     1.02776    99.50553   -79.96400
    3     1 S   H    _H1_     3     1.02976    84.06538    27.63549
    4     1 S   H    _H2_     4     1.02819    29.14650   169.98447
    5     1 S   CT   _CA1     5     1.50173   137.49983   141.36580
    6     5 S   HC   _HA1     6     1.09585   105.18358    73.59096
    7     5 S   CO3  _C1_     7     1.53772   112.47967   -46.35784
    8     7 S   O2Z  _O11     8     1.26345   115.03650   -41.10854
    9     7 S   O2Z  _O12     9     1.26262   114.91624   137.93210
   10     5 S   CT   _CB1    10     1.53061   107.28795  -168.72624
   11    10 S   HC   HB11    11     1.09819   109.02621   -52.27105
   12    10 S   HC   HB12    12     1.09826   110.43799    64.09975
   13    10 S   CT   _CG1    13     1.53012   112.91979  -173.61223
   14    13 S   HC   HG11    14     1.09597   110.22352   -65.83549
   15    13 S   HC   HG12    15     1.09639   110.19955    53.39731
   16    13 S   C    _CD1    16     1.51813   112.19019   173.33812
   17    16 S   O    _OE1    17     1.22718   123.17373   -11.89333
   18    16 S   N    _N2_    18     1.38625   111.83461   169.36403
   19    18 S   H    _HN2    19     1.01565   119.10304     1.61180
   20    18 S   CT1  _CA2    20     1.46088   123.24637  -179.75531
   21    20 S   HC   _HA2    21     1.09603   109.38182    -2.08563
   22    20 S   C    _C2_    22     1.53508   108.81682  -117.45788
   23    22 S   O    _O2_    23     1.23053   122.07779  -146.74954
   24    20 S   CT   _CB2    32     1.53350   111.59708   120.14726
   25    24 S   HC   HB21    33     1.09656   109.66513    61.67495
   26    24 S   HC   HB22    34     1.09576   110.89638   179.01285
   27    22 S   N    _N3_    24     1.38469   113.63437    40.66227
   28    27 S   H    _HN3    25     1.01502   118.97000    -0.57471
   29    24 S   S    _SG2    35     1.82787   114.67392   -58.23182
   30    27 S   CT   _CA3    26     1.45443   123.46429   175.29930
   31    30 S   HC   HA31    27     1.09519   109.35494    23.40939
   32    30 S   HC   HA32    28     1.09503   107.13143   140.38128
   33    29 S   CT   _C18    36     1.82209    99.81562   -66.07818
   34    33 S   HC   _H3_    37     1.09365   109.58322   -46.48745
   35    33 S   HC   _H4_    38     1.09355   108.44155    70.26661
   36    30 S   CO3  _C3_    29     1.52881   112.86431  -100.13693
   37    36 S   O2Z  _O31    30     1.26414   115.25507   -50.11006
   38    36 S   O2Z  _O32    31     1.26330   115.09279   130.75282
   39    33 S   CM   _C4_    39     1.50244   110.15613  -167.88957
   40    39 S   CMA  _C5_    40     1.35031   127.32063  -108.66439
   41    40 S   OM   _O16    41     1.26291   128.15732    -0.59840
   42    40 S   OS   _O17    42     1.41888   109.59520  -179.80218
   43    42 S   CT   _C14    43     1.44263   106.22530   -15.74420
   44    43 S   HC   _H32    44     1.10050   106.63160   -90.12754
   45    43 S   CT   _C8_    45     1.52632   107.39436   153.85265
   46    45 S   HC   _H23    46     1.09944   108.04036    67.07135
   47    45 S   HC   _H24    47     1.09860   110.16895   -45.00781
   48    39 S   CT   _C11    56     1.50243   121.14284    72.98521
   49    48 S   HC   _H29    57     1.09663   110.39211   -50.97821
   50    45 S   CM   _C6_    48     1.50985   114.78074  -169.52383
   51    50 S   CT   _C12    49     1.51231   114.40410    86.81643
   52    51 S   HC   _H30    50     1.10143   105.70871    50.93584
   53    50 S   CM   _C7_    72     1.34240   119.91279   -97.90648
   54    53 S   HC   _H21    73     1.08276   122.70915  -176.78740
   55    53 S   HC   _H22    74     1.08578   120.97354     3.01772
   56    51 S   CT   _C13    51     1.53883   114.87085   -68.70946
   57    56 S   HC   _H31    52     1.10103   109.01769   -62.19000
   58    56 S   CT   _C9_    53     1.53686   115.62063    57.64229
   59    58 S   HC   _H25    54     1.09637   107.44065   164.03936
   60    58 S   HC   _H26    55     1.09695   111.00455    47.93554
   61    56 S   CT   _C16    58     1.55443   102.48377  -175.83915
   62    61 S   CT   _C10    59     1.55148   105.22561    28.06604
   63    62 S   HC   _H27    60     1.09669   110.30065  -117.16194
   64    62 S   HC   _H28    61     1.09536   112.05276   122.17055
   65    61 S   CT   _C17    66     1.53108   115.04644   -93.94223
   66    65 S   HC   _H34    67     1.09513   111.42031   -66.98880
   67    65 S   HC   _H35    68     1.09645   110.48638   175.66063
   68    65 S   HC   _H36    69     1.09443   111.95383    55.07902
   69    61 S   OH   _O19    70     1.42746   108.29560   145.38759
   70    69 S   HO   _H40    71     0.97241   107.95912  -175.86696
   71    51 S   CT   _C15    62     1.54114   120.05420   170.65515
   72    71 S   HC   _H33    63     1.09464   112.57042   -66.02016
   73    71 S   OH   _O18    64     1.42503   111.82815    56.72768
   74    73 S   HO   _H39    65     0.97230   107.52897   177.39564
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  13   5   4   9
   4  13  19   9   4   1   1  17   8   7   2   1  12  12   6   5
   6   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    58    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    56    58    59    60    48    49  
   41    42    43    44    45    58    48    49  
   42    43    48  
   43    44    45    46    47    50    58    48    49  
   44    45    46    47    50    51    56    58    59    60    48    49    53  
   45    46    47    50    58    48    49  
   46    47    50    51    52    56    58    48    49    71    53    54    55  
   47    50    51    48    53  
   50    51    48    53  
   49    61    50    51    56    57    58    59    60  
   56    58    59    60  
   51    52    56    57    58    61    62    71    72    73    53    54    55  
   52    56    57    58    59    60    61    62    63    64    71    72    73    74    65    69    53    54    55  
   56    57    58    61    62    71    72    73    53  
   54    55    56    71  
   55  
    0  
   57    58    59    60    61    62    63    64    71    72    73    65    66    67    68    69    70  
   58    59    60    61    62    71    65    69  
   59    60    61    62    71    65    69  
   60    61  
   61  
   62    63    64    71    72    73    65    66    67    68    69    70  
   63    64    71    72    73    74    65    66    67    68    69    70  
   64    71    72    73    65    69  
   71    72    73    65    69  
   66    67    68    69    70    71  
   67    68    69  
   68    69  
   69  
   70    71  
    0  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   317.000  1.510
   50    53   549.000  1.340
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    71   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    48   268.000  1.529
   48    49   340.000  1.090
   61    62   268.000  1.529
   61    65   268.000  1.529
   61    69   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   320.000  1.410
   73    74   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   553.000  0.945
   53    54   340.000  1.080
   53    55   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    58    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    70.00000  112.02700
   43    48    58    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    65.00000  117.92700
   45    50    53    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    51    52    35.00000  109.50000
   50    51    56    70.00000  112.02700
   50    51    71    70.00000  112.02700
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    58.35000  112.70000
   51    56    61    58.35000  112.70000
   51    71    62    58.35000  112.70000
   51    71    72    37.50000  110.70000
   51    71    73    50.00000  109.50000
   56    51    52    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    48    58.35000  112.70000
   56    61    62    58.35000  112.70000
   56    61    65    58.35000  112.70000
   56    61    69    50.00000  109.50000
   58    56    57    37.50000  110.70000
   58    48    49    37.50000  110.70000
   60    58    59    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    58    59    37.50000  110.70000
   48    58    60    37.50000  110.70000
   61    56    57    37.50000  110.70000
   61    56    58    58.35000  112.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    71    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    70    55.00000  108.50000
   62    71    72    37.50000  110.70000
   62    71    73    50.00000  109.50000
   64    62    63    33.00000  107.80000
   71    51    52    37.50000  110.70000
   71    51    56    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   71    73    74    55.00000  108.50000
   73    71    72    35.00000  109.50000
   65    61    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    50.00000  109.50000
   69    61    65    50.00000  109.50000
   53    50    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    58   0.46850  1.0 1.0
   33    39    48    58   0.08550 -1.0 2.0
   33    39    48    58   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    58   0.09850  1.0 1.0
   40    39    48    58   0.15250 -1.0 2.0
   40    39    48    58  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.61850  1.0 1.0
   42    43    45    50  -0.22750 -1.0 2.0
   42    43    45    50   0.15300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    58   0.62750  1.0 1.0
   42    43    48    58  -0.30950 -1.0 2.0
   42    43    48    58   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.46850  1.0 1.0
   43    45    50    51   0.08550 -1.0 2.0
   43    45    50    51   0.09800  1.0 3.0
   43    45    50    53   0.09850  1.0 1.0
   43    45    50    53   0.15250 -1.0 2.0
   43    45    50    53  -0.50650  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    58   0.56750  1.0 1.0
   45    43    48    58  -0.07550 -1.0 2.0
   45    43    48    58   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    52   0.34800  1.0 3.0
   45    50    51    56   0.46850  1.0 1.0
   45    50    51    56   0.08550 -1.0 2.0
   45    50    51    56   0.09800  1.0 3.0
   45    50    51    71   0.46850  1.0 1.0
   45    50    51    71   0.08550 -1.0 2.0
   45    50    51    71   0.09800  1.0 3.0
   45    50    53    54   7.00000 -1.0 2.0
   45    50    53    55   7.00000 -1.0 2.0
   46    45    50    51   0.34800  1.0 3.0
   46    45    50    53   0.00000  1.0 1.0
   47    45    50    51   0.34800  1.0 3.0
   47    45    50    53   0.00000  1.0 1.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.34400  1.0 1.0
   50    51    56    58   0.09450 -1.0 2.0
   50    51    56    58   0.11100  1.0 3.0
   50    51    56    61   0.34400  1.0 1.0
   50    51    56    61   0.09450 -1.0 2.0
   50    51    56    61   0.11100  1.0 3.0
   50    51    71    62   0.34400  1.0 1.0
   50    51    71    62   0.09450 -1.0 2.0
   50    51    71    62   0.11100  1.0 3.0
   50    51    71    72   0.15000  1.0 3.0
   50    51    71    73   1.05650  1.0 1.0
   50    51    71    73   0.15600 -1.0 2.0
   50    51    71    73   0.53150  1.0 3.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56    58    59   0.15000  1.0 3.0
   51    56    58    60   0.15000  1.0 3.0
   51    56    58    48   0.56750  1.0 1.0
   51    56    58    48  -0.07550 -1.0 2.0
   51    56    58    48   0.20000  1.0 3.0
   51    56   -61    62   0.56750  1.0 1.0
   51    56   -61    62  -0.07550 -1.0 2.0
   51    56   -61    62   0.20000  1.0 3.0
   51    56    61    65   0.56750  1.0 1.0
   51    56    61    65  -0.07550 -1.0 2.0
   51    56    61    65   0.20000  1.0 3.0
   51    56    61    69   0.86500  1.0 1.0
   51    56    61    69  -0.17500 -1.0 2.0
   51    56    61    69   0.20800  1.0 3.0
   51    71    73    74  -0.11600  1.0 1.0
   51    71    73    74  -0.09450 -1.0 2.0
   51    71    73    74   0.21250  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   52    51    71    62   0.15000  1.0 3.0
   52    51    71    72   0.15000  1.0 3.0
   52    51    71    73   0.23400  1.0 3.0
   56    51   -71    62   0.56750  1.0 1.0
   56    51   -71    62  -0.07550 -1.0 2.0
   56    51   -71    62   0.20000  1.0 3.0
   56    51    71    72   0.15000  1.0 3.0
   56    51    71    73   0.86500  1.0 1.0
   56    51    71    73  -0.17500 -1.0 2.0
   56    51    71    73   0.20800  1.0 3.0
   56    58    48    39   0.34400  1.0 1.0
   56    58    48    39   0.09450 -1.0 2.0
   56    58    48    39   0.11100  1.0 3.0
   56    58    48    43   0.56750  1.0 1.0
   56    58    48    43  -0.07550 -1.0 2.0
   56    58    48    43   0.20000  1.0 3.0
   56    58    48    49   0.15000  1.0 3.0
   56    61    62    63   0.15000  1.0 3.0
   56    61    62    64   0.15000  1.0 3.0
   56    61   -62    71   0.56750  1.0 1.0
   56    61   -62    71  -0.07550 -1.0 2.0
   56    61   -62    71   0.20000  1.0 3.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    67   0.15000  1.0 3.0
   56    61    65    68   0.15000  1.0 3.0
   56    61    69    70  -0.11600  1.0 1.0
   56    61    69    70  -0.09450 -1.0 2.0
   56    61    69    70   0.21250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    48   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   57    56    61    69   0.23400  1.0 3.0
   58    56    61    62   0.56750  1.0 1.0
   58    56    61    62  -0.07550 -1.0 2.0
   58    56    61    62   0.20000  1.0 3.0
   58    56    61    65   0.56750  1.0 1.0
   58    56    61    65  -0.07550 -1.0 2.0
   58    56    61    65   0.20000  1.0 3.0
   58    56    61    69   0.86500  1.0 1.0
   58    56    61    69  -0.17500 -1.0 2.0
   58    56    61    69   0.20800  1.0 3.0
   59    58    48    39   0.15000  1.0 3.0
   59    58    48    43   0.15000  1.0 3.0
   59    58    48    49   0.15000  1.0 3.0
   60    58    48    39   0.15000  1.0 3.0
   60    58    48    43   0.15000  1.0 3.0
   60    58    48    49   0.15000  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.34400  1.0 1.0
   48    43    45    50   0.09450 -1.0 2.0
   48    43    45    50   0.11100  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    48   0.56750  1.0 1.0
   61    56    58    48  -0.07550 -1.0 2.0
   61    56    58    48   0.20000  1.0 3.0
   61    62   -71    51   0.56750  1.0 1.0
   61    62   -71    51  -0.07550 -1.0 2.0
   61    62   -71    51   0.20000  1.0 3.0
   61    62    71    72   0.15000  1.0 3.0
   61    62    71    73   0.86500  1.0 1.0
   61    62    71    73  -0.17500 -1.0 2.0
   61    62    71    73   0.20800  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    69    70  -0.11600  1.0 1.0
   62    61    69    70  -0.09450 -1.0 2.0
   62    61    69    70   0.21250  1.0 3.0
   62    71    73    74  -0.11600  1.0 1.0
   62    71    73    74  -0.09450 -1.0 2.0
   62    71    73    74   0.21250  1.0 3.0
   63    62    71    51   0.15000  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.23400  1.0 3.0
   64    62    71    51   0.15000  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.23400  1.0 3.0
   71    51    56    57   0.15000  1.0 3.0
   71    51    56    58   0.56750  1.0 1.0
   71    51    56    58  -0.07550 -1.0 2.0
   71    51    56    58   0.20000  1.0 3.0
   71    51   -56    61   0.56750  1.0 1.0
   71    51   -56    61  -0.07550 -1.0 2.0
   71    51   -56    61   0.20000  1.0 3.0
   72    71    73    74   0.19450  1.0 3.0
   65    61    62    63   0.15000  1.0 3.0
   65    61    62    64   0.15000  1.0 3.0
   65    61    62    71   0.56750  1.0 1.0
   65    61    62    71  -0.07550 -1.0 2.0
   65    61    62    71   0.20000  1.0 3.0
   65    61    69    70  -0.11600  1.0 1.0
   65    61    69    70  -0.09450 -1.0 2.0
   65    61    69    70   0.21250  1.0 3.0
   69    61    62    63   0.23400  1.0 3.0
   69    61    62    64   0.23400  1.0 3.0
   69    61    62    71   0.86500  1.0 1.0
   69    61    62    71  -0.17500 -1.0 2.0
   69    61    62    71   0.20800  1.0 3.0
   69    61    65    66   0.23400  1.0 3.0
   69    61    65    67   0.23400  1.0 3.0
   69    61    65    68   0.23400  1.0 3.0
   53    50    51    52   0.00000  1.0 1.0
   53    50    51    56   0.09850  1.0 1.0
   53    50    51    56   0.15250 -1.0 2.0
   53    50    51    56  -0.50650  1.0 3.0
   53    50    51    71   0.09850  1.0 1.0
   53    50    51    71   0.15250 -1.0 2.0
   53    50    51    71  -0.50650  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    51    50    53   1.10000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
