* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    141    215     423
    1     0 S   NP   _N1_     1    28.10666    97.83134   -22.63006
    2     1 S   H    _HN1     2     1.02776   104.06763  -105.68128
    3     1 S   H    _H1_     3     1.02958    69.00913    -1.12709
    4     1 S   H    _H2_     4     1.02835    41.79448   153.07471
    5     1 S   CT   _CA1     5     1.50126   141.06291    95.69769
    6     5 S   HC   _HA1     6     1.09574   105.22195    96.05948
    7     5 S   CO3  _C1_     7     1.53792   112.37771   -24.14646
    8     7 S   O2Z  _O11     8     1.26365   114.99728   -43.63521
    9     7 S   O2Z  _O12     9     1.26237   114.93584   135.50156
   10     5 S   CT   _CB1    10     1.53100   107.42693  -146.01390
   11    10 S   HC   HB11    11     1.09826   109.35170   -50.47379
   12    10 S   HC   HB12    12     1.09816   110.41646    66.08939
   13    10 S   CT   _CG1    13     1.53012   112.66077  -171.54727
   14    13 S   HC   HG11    14     1.09595   110.48073   -64.05847
   15    13 S   HC   HG12    15     1.09656   109.92641    55.13625
   16    13 S   C    _CD1    16     1.51839   112.34301   175.52245
   17    16 S   O    _OE1    17     1.22745   123.29262    -0.18131
   18    16 S   N    _N2_    18     1.38546   111.67539   179.75531
   19    18 S   H    _HN2    19     1.01563   119.00407     4.84727
   20    18 S   CT1  _CA2    20     1.45871   122.97330   177.93967
   21    20 S   HC   _HA2    21     1.09720   108.97761    22.13457
   22    20 S   C    _C2_    22     1.52863   106.80381   -94.97345
   23    22 S   O    _O2_    23     1.22993   122.94509   -29.48848
   24    20 S   CT   _CB2    32     1.53157   112.08548   145.25544
   25    24 S   HC   HB21    33     1.09592   110.14790    53.64876
   26    24 S   HC   HB22    34     1.09481   110.08356   172.76733
   27    22 S   N    _N3_    24     1.38480   112.64444   153.04349
   28    27 S   H    _HN3    25     1.01651   120.38744    -1.03230
   29    24 S   S    _SG2    35     1.82834   110.83212   -67.13835
   30    27 S   CT   _CA3    26     1.45358   122.44102   178.78115
   31    30 S   HC   HA31    27     1.09564   107.53791   -62.47567
   32    30 S   HC   HA32    28     1.09571   107.86808    53.83806
   33    29 S   CT   _C13    36     1.84899    99.89403   168.26041
   34    33 S   HC   _H3_    37     1.09752   104.01008   -53.62185
   35    30 S   CO3  _C3_    29     1.52891   114.39587   175.86672
   36    35 S   O2Z  _O31    30     1.26329   116.10205     1.01568
   37    35 S   O2Z  _O32    31     1.26455   114.39693  -178.92480
   38    33 S   CM   _C5_    38     1.53089   110.88940    64.30999
   39    33 S   CT   _C10    55     1.54161   108.06738  -165.57566
   40    39 S   HC   _H27    56     1.10014   108.14448    46.44855
   41    39 S   HC   _H28    57     1.09288   111.50694   -68.52052
   42    38 S   CT   _C9_    39     1.52980   120.13611    57.58769
   43    42 S   HC   _H25    40     1.09565   109.43355  -153.53239
   44    42 S   HC   _H26    41     1.09600   109.08845   -41.02667
   45    38 S   CMA  _C7_    75     1.35975   118.49620  -116.42137
   46    45 S   OM   _O16    76     1.25991   133.44016   176.17346
   47    45 S   HC   _H22    77     1.09184   112.71508    -3.57780
   48    42 S   CT   _C11    42     1.54055   117.94823    81.76148
   49    48 S   HC   _H29    43     1.09795   107.93525  -175.17570
   50    48 S   HC   _H30    44     1.08939   108.15511   -63.69105
   51    48 S   CT   _C14    45     1.55419   115.57995    62.16009
   52    51 S   HC   _H33    46     1.09296   109.04298   -17.55689
   53    51 S   CT   _C15    47     1.56223   111.58857  -135.27009
   54    53 S   HC   _H34    48     1.09531   109.41177   175.06168
   55    51 S   CT   _C18    65     1.57197   111.34077    99.65371
   56    55 S   HC   _H41    66     1.09781   108.80864    61.79584
   57    53 S   CT   _C12    49     1.54970   116.71191    52.84503
   58    57 S   HC   _H31    50     1.09450   108.65351   -78.41819
   59    53 S   OH   _O18    63     1.43588   109.14099   -70.03937
   60    59 S   HO   _H43    64     0.97176   108.03372    63.98030
   61    55 S   CT   _C16    67     1.53572   112.28786  -179.35532
   62    61 S   HC   _H35    68     1.09516   111.15299    53.72262
   63    61 S   HC   _H36    69     1.09373   111.62993   -67.55872
   64    61 S   HC   _H37    70     1.09571   110.98703   173.84792
   65    55 S   CT   _C17    71     1.53387   112.94570   -56.94922
   66    65 S   HC   _H38    72     1.09429   111.26754   -56.44891
   67    65 S   HC   _H39    73     1.09586   110.81845  -176.27469
   68    65 S   HC   _H40    74     1.09330   111.67433    65.23363
   69    57 S   CM   _C4_    51     1.51510   117.29866    47.28994
   70    57 S   OH   _O17    61     1.43736   107.69047   169.12051
   71    70 S   HO   _H42    62     0.97222   107.69189  -179.61083
   72    69 S   CT   _C8_    52     1.51169   116.70347  -141.26026
   73    72 S   HC   _H23    53     1.09795   110.56717  -168.67966
   74    72 S   HC   _H24    54     1.09851   107.28870   -54.50678
   75    69 S   CM   _C6_    58     1.34404   122.64633    43.14402
   76    75 S   HC   _H20    59     1.08457   121.74727    -1.82671
   77    75 S   HC   _H21    60     1.08516   121.44832   178.20496
  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
  16   7   2   1   1  14  10   5   4  12   6   5   3   1   1  12
   5   4  19   8  14   7  11   8  12   6   3   1   7   3   2   1
   3   2   1   1   8   3   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    72    39    40    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    48    69    72    73    74    39    40    41    45    46    47  
   38    42    72    39    40    41    45  
   36    37  
   37  
    0  
   42    43    44    48    49    50    51    72    39    40    41    45    46    47  
   40    41    75    45    42    57    69    72    73    74  
   41    69    72    73    74  
   69    72    73    74  
   43    44    48    49    50    51    52    53    55    45    46    47  
   44    48    49    50    51    45  
   48    49    50    51    45  
   46    47    48  
   47  
    0  
   49    50    51    52    53    54    57    59    55    56    61    65  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    69    70    59    60    55    56    61    62    63    64    65    66    67    68  
   53    54    57    59    55    56    61    65  
   54    57    58    69    72    75    70    71    59    60    55    56    61    65  
   57    58    69    70    59    60    55  
   56    61    62    63    64    65    66    67    68    57    59  
   61    62    63    64    65    66    67    68  
   58    69    72    73    74    75    76    77    70    71    59    60  
   69    72    75    70    71    59  
   60    69    70  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   72    73    74    75    76    77    70    71  
   71    72    75  
    0  
   73    74    75    76    77  
   74    75  
   75  
   76    77  
   77  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    39   268.000  1.529
   38    42   317.000  1.510
   38    45   465.000  1.376
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    59   320.000  1.410
   57    58   340.000  1.090
   57    69   317.000  1.510
   57    70   320.000  1.410
   69    72   317.000  1.510
   69    75   549.000  1.340
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   75    76   340.000  1.080
   75    77   340.000  1.080
   70    71   553.000  0.945
   59    60   553.000  0.945
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   745.000  1.250
   45    47   335.000  1.111
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    65.00000  117.92700
   33    38    45    70.00000  124.00000
   33    39    72    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    48    70.00000  112.02700
   38    45    46    65.00000  137.10300
   38    45    47    45.00000  105.30000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    59    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    61    58.35000  112.70000
   51    55    65    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    69    70.00000  112.02700
   53    57    70    50.00000  109.50000
   53    59    60    55.00000  108.50000
   57    53    54    37.50000  110.70000
   57    69    72    65.00000  117.92700
   57    69    75    70.00000  124.00000
   57    70    71    55.00000  108.50000
   69    57    58    35.00000  109.50000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    39    70.00000  112.02700
   69    75    76    35.00000  120.00000
   69    75    77    35.00000  120.00000
   72    39    40    37.50000  110.70000
   72    39    41    37.50000  110.70000
   74    72    73    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    72    73    37.50000  110.70000
   39    72    74    37.50000  110.70000
   41    39    40    33.00000  107.80000
   75    69    72    70.00000  124.00000
   77    75    76    35.00000  117.00000
   70    57    58    35.00000  109.50000
   70    57    69    90.00000  110.39200
   59    53    54    35.00000  109.50000
   59    53    57    50.00000  109.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   55    65    66    37.50000  110.70000
   55    65    67    37.50000  110.70000
   55    65    68    37.50000  110.70000
   61    55    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    61    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
   45    38    42    70.00000  124.00000
   47    45    46    50.00000  124.16400
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    45   0.42700  1.0 1.0
   29    33    38    45  -0.70350 -1.0 2.0
   29    33    38    45  -0.43150  1.0 3.0
   29    33    39    72   0.44750  1.0 1.0
   29    33    39    72  -0.17800 -1.0 2.0
   29    33    39    72   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    44   0.34800  1.0 3.0
   33    38    42    48   0.46850  1.0 1.0
   33    38    42    48   0.08550 -1.0 2.0
   33    38    42    48   0.09800  1.0 3.0
   33    38    45    46   7.00000 -1.0 2.0
   33    38    45    47   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    45   0.00000  1.0 1.0
   34    33    39    72   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    72   0.34400  1.0 1.0
   38    33    39    72   0.09450 -1.0 2.0
   38    33    39    72   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    50   0.15000  1.0 3.0
   38    42    48    51   0.34400  1.0 1.0
   38    42    48    51   0.09450 -1.0 2.0
   38    42    48    51   0.11100  1.0 3.0
   42    38    45    46   7.00000 -1.0 2.0
   42    38    45    47   7.00000 -1.0 2.0
   42    48    51    52   0.15000  1.0 3.0
   42    48    51    53   0.56750  1.0 1.0
   42    48    51    53  -0.07550 -1.0 2.0
   42    48    51    53   0.20000  1.0 3.0
   42    48    51    55   0.56750  1.0 1.0
   42    48    51    55  -0.07550 -1.0 2.0
   42    48    51    55   0.20000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    50   0.15000  1.0 3.0
   44    42    48    51   0.15000  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    57   0.56750  1.0 1.0
   48    51    53    57  -0.07550 -1.0 2.0
   48    51    53    57   0.20000  1.0 3.0
   48    51    53    59   0.86500  1.0 1.0
   48    51    53    59  -0.17500 -1.0 2.0
   48    51    53    59   0.20800  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    61   0.56750  1.0 1.0
   48    51    55    61  -0.07550 -1.0 2.0
   48    51    55    61   0.20000  1.0 3.0
   48    51    55    65   0.56750  1.0 1.0
   48    51    55    65  -0.07550 -1.0 2.0
   48    51    55    65   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    55   0.15000  1.0 3.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    69   0.34400  1.0 1.0
   51    53    57    69   0.09450 -1.0 2.0
   51    53    57    69   0.11100  1.0 3.0
   51    53    57    70   0.86500  1.0 1.0
   51    53    57    70  -0.17500 -1.0 2.0
   51    53    57    70   0.20800  1.0 3.0
   51    53    59    60  -0.11600  1.0 1.0
   51    53    59    60  -0.09450 -1.0 2.0
   51    53    59    60   0.21250  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    63   0.15000  1.0 3.0
   51    55    61    64   0.15000  1.0 3.0
   51    55    65    66   0.15000  1.0 3.0
   51    55    65    67   0.15000  1.0 3.0
   51    55    65    68   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    59   0.23400  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   52    51    55    65   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    61   0.56750  1.0 1.0
   53    51    55    61  -0.07550 -1.0 2.0
   53    51    55    61   0.20000  1.0 3.0
   53    51    55    65   0.56750  1.0 1.0
   53    51    55    65  -0.07550 -1.0 2.0
   53    51    55    65   0.20000  1.0 3.0
   53    57    69    72   0.46850  1.0 1.0
   53    57    69    72   0.08550 -1.0 2.0
   53    57    69    72   0.09800  1.0 3.0
   53    57    69    75   0.09850  1.0 1.0
   53    57    69    75   0.15250 -1.0 2.0
   53    57    69    75  -0.50650  1.0 3.0
   53    57    70    71  -0.11600  1.0 1.0
   53    57    70    71  -0.09450 -1.0 2.0
   53    57    70    71   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    69   0.15000  1.0 3.0
   54    53    57    70   0.23400  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   57    53    59    60  -0.11600  1.0 1.0
   57    53    59    60  -0.09450 -1.0 2.0
   57    53    59    60   0.21250  1.0 3.0
   57    69    72    73   0.34800  1.0 3.0
   57    69    72    74   0.34800  1.0 3.0
   57    69    72    39   0.46850  1.0 1.0
   57    69    72    39   0.08550 -1.0 2.0
   57    69    72    39   0.09800  1.0 3.0
   57    69    75    76   7.00000 -1.0 2.0
   57    69    75    77   7.00000 -1.0 2.0
   58    57    69    72   0.34800  1.0 3.0
   58    57    69    75   0.00000  1.0 1.0
   58    57    70    71   0.19450  1.0 3.0
   69    57    70    71  -0.07800  1.0 1.0
   69    57    70    71  -0.21500 -1.0 2.0
   69    57    70    71  -0.03150  1.0 3.0
   69    72    39    33   0.34400  1.0 1.0
   69    72    39    33   0.09450 -1.0 2.0
   69    72    39    33   0.11100  1.0 3.0
   69    72    39    40   0.15000  1.0 3.0
   69    72    39    41   0.15000  1.0 3.0
   72    69    75    76   7.00000 -1.0 2.0
   72    69    75    77   7.00000 -1.0 2.0
   73    72    39    33   0.15000  1.0 3.0
   73    72    39    40   0.15000  1.0 3.0
   73    72    39    41   0.15000  1.0 3.0
   74    72    39    33   0.15000  1.0 3.0
   74    72    39    40   0.15000  1.0 3.0
   74    72    39    41   0.15000  1.0 3.0
   39    33    38    42   0.46850  1.0 1.0
   39    33    38    42   0.08550 -1.0 2.0
   39    33    38    42   0.09800  1.0 3.0
   39    33    38    45   0.09850  1.0 1.0
   39    33    38    45   0.15250 -1.0 2.0
   39    33    38    45  -0.50650  1.0 3.0
   75    69    72    73   0.00000  1.0 1.0
   75    69    72    74   0.00000  1.0 1.0
   75    69    72    39   0.09850  1.0 1.0
   75    69    72    39   0.15250 -1.0 2.0
   75    69    72    39  -0.50650  1.0 3.0
   70    57    69    72   0.18000  1.0 1.0
   70    57    69    72   0.16450 -1.0 2.0
   70    57    69    72   0.04450  1.0 3.0
   70    57    69    75   0.67800  1.0 1.0
   70    57    69    75   0.47050 -1.0 2.0
   70    57    69    75  -0.62500  1.0 3.0
   59    53    57    58   0.23400  1.0 3.0
   59    53    57    69   1.05650  1.0 1.0
   59    53    57    69   0.15600 -1.0 2.0
   59    53    57    69   0.53150  1.0 3.0
   59    53    57    70   3.75450  1.0 1.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    57   0.56750  1.0 1.0
   55    51    53    57  -0.07550 -1.0 2.0
   55    51    53    57   0.20000  1.0 3.0
   55    51    53    59   0.86500  1.0 1.0
   55    51    53    59  -0.17500 -1.0 2.0
   55    51    53    59   0.20800  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    68   0.15000  1.0 3.0
   61    55    65    66   0.15000  1.0 3.0
   61    55    65    67   0.15000  1.0 3.0
   61    55    65    68   0.15000  1.0 3.0
   65    55    61    62   0.15000  1.0 3.0
   65    55    61    63   0.15000  1.0 3.0
   65    55    61    64   0.15000  1.0 3.0
   45    38    42    43   0.00000  1.0 1.0
   45    38    42    44   0.00000  1.0 1.0
   45    38    42    48   0.09850  1.0 1.0
   45    38    42    48   0.15250 -1.0 2.0
   45    38    42    48  -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
   37    30    35    36  10.50000 -1.0 2.0
   33    42    38    45   1.10000 -1.0 2.0
   57    72    69    75   1.10000 -1.0 2.0
   76    77    75    69   1.10000 -1.0 2.0
   46    47    45    38   1.10000 -1.0 2.0
END
