* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    171    269     492
    1     0 S   NP   _N1_     1    34.64333   101.81039   -21.27079
    2     1 S   H    _HN1     2     1.03502   116.57666   -40.35231
    3     1 S   H    _H1_     3     1.02709    59.26686  -135.83536
    4     1 S   H    _H2_     4     1.02849   135.89229   140.34605
    5     1 S   CT   _CA1     5     1.50407    53.82826    58.66881
    6     5 S   HC   _HA1     6     1.09436   104.29028  -166.76747
    7     5 S   CO3  _C1_     7     1.54521   112.22520    77.15377
    8     7 S   O2Z  _O11     8     1.26164   116.46474  -145.15322
    9     7 S   O2Z  _O12     9     1.26610   114.36231    34.57945
   10     5 S   CT   _CB1    10     1.53283   107.00646   -50.13257
   11    10 S   HC   HB11    11     1.09642   109.92114   -36.18199
   12    10 S   HC   HB12    12     1.09807   109.60354    79.37654
   13    10 S   CT   _CG1    13     1.53369   112.89522  -159.33902
   14    13 S   HC   HG11    14     1.09594   110.36422  -107.41660
   15    13 S   HC   HG12    15     1.09398   112.00308    11.64701
   16    13 S   C    _CD1    16     1.51376   110.85926   132.62438
   17    16 S   O    _OE1    17     1.22840   121.86043   103.75121
   18    16 S   N    _N2_    18     1.38450   112.82779   -74.85790
   19    18 S   H    _HN2    19     1.01898   119.32116    -0.50899
   20    18 S   CT1  _CA2    20     1.45774   122.58170   174.25693
   21    20 S   HC   _HA2    21     1.09706   108.69450    29.65725
   22    20 S   C    _C2_    22     1.53154   108.80802   -86.72202
   23    22 S   O    _O2_    23     1.23159   120.92312   149.42405
   24    20 S   CT   _CB2    32     1.53150   112.36784   153.08080
   25    24 S   HC   HB21    33     1.08870   110.28072    58.97328
   26    24 S   HC   HB22    34     1.09601   109.49346   175.52919
   27    22 S   N    _N3_    24     1.38370   114.63045   -38.25073
   28    27 S   H    _HN3    25     1.01719   119.53577     1.05555
   29    24 S   S    _SG2    35     1.82591   111.79126   -66.35988
   30    27 S   CT   _CA3    26     1.45307   122.83961  -176.81543
   31    30 S   HC   HA31    27     1.09563   108.37915   -43.45733
   32    30 S   HC   HA32    28     1.09562   107.02690    72.81791
   33    29 S   CT   _C10    36     1.88327   103.39901   124.29000
   34    30 S   CO3  _C3_    29     1.52910   114.67246  -165.63053
   35    34 S   O2Z  _O31    30     1.26344   116.36501     9.67435
   36    34 S   O2Z  _O32    31     1.26469   114.37952  -170.81162
   37    33 S   CM   _C15    37     1.54777   107.85123   -66.66942
   38    33 S   CT   _C9_    72     1.57858   111.98110    55.59594
   39    38 S   HC   _H16    73     1.09363   110.00094   -52.00901
   40    38 S   HC   _H17    74     1.09525   109.48127  -168.83717
   41    37 S   N4   _N5_    38     1.36242   118.31381   -75.59740
   42    37 S   CMA  _C16    69     1.52540   122.00870   113.38668
   43    42 S   OM   _O34    70     1.26229   120.33950   -97.04842
   44    42 S   OM   _O35    71     1.26269   120.80020    84.17068
   45    38 S   NP   _N4_    75     1.55709   121.46082    71.29776
   46    41 S   C4   _C14    39     1.35114   136.96386  -166.60346
   47    46 S   O    _O33    40     1.20898   134.50683    -2.30698
   48    41 S   C4T  _C12    43     1.44537   125.47267    14.48518
   49    48 S   HC   _H3_    44     1.09605   113.02348    72.82129
   50    45 S   CT   _C5_    76     1.54732   112.86696    74.64504
   51    50 S   HC   _H8_    77     1.09379   108.23491    15.91934
   52    50 S   HC   _H9_    78     1.09332   109.90466  -104.88272
   53    45 S   CT   _C4_    88     1.51862   114.08763   -52.29082
   54    53 S   HC   _H5_    89     1.09278   108.45990   -54.02054
   55    53 S   HC   _H6_    90     1.09048   109.21289    68.52076
   56    53 S   HC   _H7_    91     1.09505   108.53623  -173.44351
   57    46 S   C4T  _C13    41     1.55275    90.11402   175.30827
   58    57 S   HC   _H4_    42     1.09709   111.87481   118.83067
   59    48 S   S    _S1_    45     1.80795   111.80848   -57.16862
   60    50 S   CT   _C6_    79     1.51524   105.31452   133.41733
   61    60 S   HC   _H10    80     1.09368   112.06987  -159.48417
   62    60 S   HC   _H11    81     1.09622   110.72176    79.64771
   63    33 S   CT   _C11    46     1.55795   108.30115   177.58467
   64    63 S   HC   _H18    47     1.09606   108.76578  -175.69757
   65    63 S   HC   _H19    48     1.09222   110.77850   -58.22203
   66    57 S   N    _N6_    49     1.47791   113.62512  -113.63615
   67    66 S   H    _H20    50     1.01730   119.45773    14.42681
   68    60 S   CT   _C7_    82     1.50838   102.58859   -38.61745
   69    68 S   HC   _H12    83     1.09365   112.57176   165.84353
   70    68 S   HC   _H13    84     1.09649   110.61141   -73.16436
   71    66 S   C    _C17    51     1.37904   122.38315  -165.42677
   72    71 S   O    _O36    52     1.22076   128.37222    -0.29608
   73    45 S   CT   _C8_    85     1.57346   107.37663  -171.53742
   74    73 S   HC   _H14    86     1.09561   108.12268   131.31633
   75    73 S   HC   _H15    87     1.09391   110.17532    12.04174
   76    71 S   CD   _C18    53     1.50602   112.92136  -179.94766
   77    76 S   C5B  _C20    54     1.45228   119.79843    91.75700
   78    76 S   NI   _N7_    63     1.29830   121.63454   -88.11211
   79    77 S   C5A  _C21    55     1.38192   125.58139  -179.91844
   80    79 S   HA   _H24    56     1.08110   128.85055    -0.22900
   81    78 S   OS   _O37    64     1.40202   111.35648    -0.24147
   82    79 S   SA   _S2_    57     1.71150   110.16638   179.66080
   83    81 S   CT   _C19    65     1.41960   108.20679   179.37255
   84    83 S   HC   _H21    66     1.09316   108.47346  -180.00000
   85    83 S   HC   _H22    67     1.09442   110.33823    60.98018
   86    83 S   HC   _H23    68     1.09443   110.33074   -60.97549
   87    82 S   CRA  _C22    58     1.72265    89.90751     0.01978
   88    77 S   N5B  _N8_    59     1.38689   120.07570    -0.14265
   89    87 S   NE   _N9_    60     1.34629   120.45797  -179.86294
   90    89 S   H    _H25    61     1.01423   121.35655   179.94766
   91    89 S   H    _H26    62     1.01390   122.04937    -0.19077
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  17  21   6   5  12   5   1   1  17   9   4  10
   5  15   7   6   8   3   2   1   8   4   4   8   5   4   2   1
   1   6   3   5   4   3   7   3   2   1   1   9   8   7   5   3
   4   5   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    63    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    59    63    64    65    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    59    63    64    65    42    43    44    38    39    40    45    50    73    53  
   35    36  
   36  
    0  
   41    46    47    57    48    49    59    63    64    65    42    43    44    38    39    40    45  
   39    40    45    50    51    52    60    68    73    74    75    53    54    55    56    41    42    59    63    64    65  
   40    45    50    73    53    63  
   45    50    73    53    63  
   46    47    57    58    48    49    59    63    66    42    43    44  
   43    44    46    48    63  
   44  
    0  
   50    51    52    60    61    62    68    69    70    73    74    75    53    54    55    56    63  
   47    57    58    48    49    59    66    67    71  
   57    58    48    66  
   49    59    63    64    65    66    67    71    57    58  
   59    63    66    57    58  
   51    52    60    61    62    68    69    70    73    74    75    53    54    55    56  
   52    60    61    62    68    73    53  
   60    61    62    68    73    53  
   54    55    56    60    68    73    74    75  
   55    56    73  
   56    73  
   73  
   58    59    63    66    67    71    72    76  
   59    66    67    71  
   63    64    65    66  
   61    62    68    69    70    73    74    75  
   62    68    69    70    73  
   68    69    70    73  
   64    65  
   65  
    0  
   67    71    72    76    77    78  
   71    72    76  
   69    70    73    74    75  
   70    73    74    75  
   73    74    75  
   72    76    77    79    88    78    81  
   76    77    78  
   74    75  
   75  
    0  
   77    79    80    82    87    88    78    81    83  
   79    80    82    87    88    89    78    81  
   81    83    84    85    86    79    88  
   80    82    87    88    89  
   82    87    88  
   83    84    85    86  
   87    88    89    90    91  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   78   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   79   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   81   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   83   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   88   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   89   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   90   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   91   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    63   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    57   250.000  1.540
   57    58   340.000  1.090
   57    48   268.000  1.529
   57    66   337.000  1.449
   48    49   340.000  1.090
   48    59   200.000  1.824
   59    63   222.000  1.810
   63    64   340.000  1.090
   63    65   340.000  1.090
   66    67   434.000  1.010
   66    71   490.000  1.335
   71    72   570.000  1.229
   71    76   270.000  1.486
   76    77   305.000  1.466
   76    78   500.000  1.261
   77    79   520.000  1.370
   77    88   410.000  1.394
   79    80   367.000  1.080
   79    82   265.000  1.745
   82    87   250.000  1.765
   87    88   488.000  1.335
   87    89   420.000  1.385
   89    90   434.000  1.010
   89    91   434.000  1.010
   78    81   320.000  1.394
   81    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   367.000  1.471
   45    50   367.000  1.471
   45    73   367.000  1.471
   45    53   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    63    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    63    59    75.00000  111.63000
   33    63    64    37.50000  110.70000
   33    63    65    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    80.00000  111.20000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    57    95.00000   92.72400
   41    48    57   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    59    80.00000  108.62000
   46    57    58    40.00000  113.37500
   46    57    48   100.00000   86.36000
   46    57    66    75.00000  110.24000
   57    46    47    60.00000  136.58000
   57    48    49    37.50000  110.70000
   57    48    59    65.00000  119.05700
   57    66    67    38.00000  118.40000
   57    66    71    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    57    58    37.50000  110.70000
   48    59    63    85.00000   99.86700
   59    48    49    45.00000  109.41400
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   63    33    37    70.00000  112.02700
   65    63    64    33.00000  107.80000
   66    57    58    50.00000  112.01000
   66    57    48    80.00000  110.05700
   66    71    72    80.00000  122.90000
   66    71    76    75.00000  109.57000
   71    66    67    35.00000  119.80000
   71    76    77    75.00000  114.44000
   71    76    78    65.00000  123.79500
   76    71    72    80.00000  120.45000
   76    77    79    60.00000  121.09900
   76    77    88    60.00000  126.00000
   76    78    81   100.00000  109.52600
   77    79    80    35.00000  130.70000
   77    79    82    80.00000  111.29200
   77    88    87    70.00000  110.00000
   79    82    87   120.00000   89.04400
   82    79    80    40.00000  122.38200
   82    87    88    80.00000  114.57700
   82    87    89    70.00000  122.29500
   87    89    90    35.00000  113.50000
   87    89    91    35.00000  113.50000
   88    77    79    70.00000  111.00000
   89    87    88    75.00000  125.31200
   91    89    90    35.00000  109.00000
   78    76    77    65.00000  124.33800
   78    81    83   110.00000  106.71400
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    63    58.35000  112.70000
   38    45    50    75.00000  113.01200
   38    45    73    75.00000  113.01200
   38    45    53    75.00000  113.01200
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    60    80.00000  111.20000
   45    73    68    80.00000  111.20000
   45    73    74    35.00000  109.50000
   45    73    75    35.00000  109.50000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    56    35.00000  109.50000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    68    58.35000  112.70000
   52    50    51    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    52    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    73    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   70    68    69    33.00000  107.80000
   73    45    50    75.00000  113.01200
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   53    45    50    75.00000  113.01200
   53    45    73    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    63    59   0.56750  1.0 1.0
   29    33    63    59  -0.07550 -1.0 2.0
   29    33    63    59   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    65   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.47100  1.0 1.0
   33    38    45    73   0.47100  1.0 1.0
   33    38    45    53   0.47100  1.0 1.0
   37    33    63    59   0.56750  1.0 1.0
   37    33    63    59  -0.07550 -1.0 2.0
   37    33    63    59   0.20000  1.0 3.0
   37    33    63    64   0.15000  1.0 3.0
   37    33    63    65   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45  -0.47300  1.0 1.0
   37    33    38    45   0.29700 -1.0 2.0
   37    33    38    45   0.83300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    57   3.00000 -1.0 2.0
   37    41   -48    57   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    59   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    57    58   0.00000  1.0 1.0
   41    46   -57    48   3.00000 -1.0 2.0
   41    46    57    66   0.00000  1.0 1.0
   41    48    59    63   0.01700  1.0 1.0
   41    48    59    63  -0.23550 -1.0 2.0
   41    48    59    63   0.21350  1.0 3.0
   46    41   -48    57   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    59   0.00000  1.0 1.0
   46    57   -48    41   3.00000 -1.0 2.0
   46    57   -48    49   0.15000  1.0 3.0
   46    57   -48    59   0.00000  1.0 1.0
   46    57    66    67   0.00000  1.0 1.0
   46    57    66    71  -0.42300  1.0 1.0
   46    57    66    71  -0.07000 -1.0 2.0
   46    57    66    71   0.04150  1.0 3.0
   47    46    57    58   0.00000  1.0 1.0
   47    46    57    48  -0.11250  1.0 1.0
   47    46    57    48   0.11400 -1.0 2.0
   47    46    57    48  -0.28950  1.0 3.0
   47    46    57    66   0.30150 -1.0 2.0
   57    48    59    63   0.25150  1.0 1.0
   57    48    59    63  -1.17200 -1.0 2.0
   57    48    59    63   0.53050  1.0 3.0
   57    66    71    72   3.04450 -1.0 2.0
   57    66    71    76   1.49850  1.0 1.0
   57    66    71    76   1.53950 -1.0 2.0
   58    57   -48    41   0.15000  1.0 3.0
   58    57    48    49   0.15000  1.0 3.0
   58    57    48    59   0.00000  1.0 1.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    71   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    57   3.00000 -1.0 2.0
   48    57    66    67   0.00000  1.0 1.0
   48    57    66    71  -0.43950  1.0 1.0
   48    57    66    71  -0.08100 -1.0 2.0
   48    57    66    71   0.03350  1.0 3.0
   48    59   -63    33  -0.25000 -1.0 2.0
   48    59   -63    33  -0.01800  1.0 3.0
   48    59    63    64   0.32350  1.0 3.0
   48    59    63    65   0.32350  1.0 3.0
   49    48    59    63   0.00000  1.0 1.0
   63    33   -37    41  -0.93550  1.0 1.0
   63    33   -37    41   0.38900 -1.0 2.0
   63    33   -37    41   0.16950  1.0 3.0
   63    33    37    42   0.09850  1.0 1.0
   63    33    37    42   0.15250 -1.0 2.0
   63    33    37    42  -0.50650  1.0 3.0
   63    33    38    39   0.15000  1.0 3.0
   63    33    38    40   0.15000  1.0 3.0
   63    33    38    45   1.36600  1.0 1.0
   63    33    38    45  -0.11450 -1.0 2.0
   63    33    38    45   0.24250  1.0 3.0
   66    57   -48    41   2.20050  1.0 1.0
   66    57   -48    41   0.63450 -1.0 2.0
   66    57   -48    41  -0.91300  1.0 3.0
   66    57    48    49   0.15000  1.0 3.0
   66    57    48    59   0.00000  1.0 1.0
   66    71    76    77   1.50000 -1.0 2.0
   66    71    76    78   1.50000 -1.0 2.0
   67    66    71    72   2.45000 -1.0 2.0
   67    66    71    76   2.56700 -1.0 2.0
   71    76    77    79   0.30050 -1.0 2.0
   71    76    77    79   0.16600  1.0 3.0
   71    76    77    88   0.30050 -1.0 2.0
   71    76    77    88   0.16600  1.0 3.0
   71    76    78    81   6.00000 -1.0 2.0
   72    71    76    77   1.00000 -1.0 2.0
   72    71    76    78   1.00000 -1.0 2.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77    79    82   3.62500 -1.0 2.0
   76    77    88    87   3.62500 -1.0 2.0
   76    78    81    83   1.50000 -1.0 2.0
   77    76    78    81   6.00000 -1.0 2.0
   77    79   -82    87   3.62500 -1.0 2.0
   79    77   -88    87   2.40000 -1.0 2.0
   79    82   -87    88   3.62500 -1.0 2.0
   79    82    87    89   3.62500 -1.0 2.0
   80    79    82    87   3.62500 -1.0 2.0
   82    87   -88    77   3.62500 -1.0 2.0
   82    87    89    90   0.47600 -1.0 2.0
   82    87    89    91   0.47600 -1.0 2.0
   88    77    79    80   3.62500 -1.0 2.0
   88    77   -79    82   3.62500 -1.0 2.0
   88    87    89    90   1.75000 -1.0 2.0
   88    87    89    91   1.75000 -1.0 2.0
   89    87    88    77   3.62500 -1.0 2.0
   78    76    77    79   1.02250 -1.0 2.0
   78    76    77    88   1.02250 -1.0 2.0
   78    81    83    84   0.37500  1.0 3.0
   78    81    83    85   0.37500  1.0 3.0
   78    81    83    86   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    63    59   0.44750  1.0 1.0
   38    33    63    59  -0.17800 -1.0 2.0
   38    33    63    59   0.20200  1.0 3.0
   38    33    63    64   0.15000  1.0 3.0
   38    33    63    65   0.15000  1.0 3.0
   38    45    50    51   0.15000  1.0 3.0
   38    45    50    52   0.15000  1.0 3.0
   38    45    50    60   0.47100  1.0 1.0
   38    45    73    68   0.47100  1.0 1.0
   38    45    73    74   0.15000  1.0 3.0
   38    45    73    75   0.15000  1.0 3.0
   38    45    53    54   0.15000  1.0 3.0
   38    45    53    55   0.15000  1.0 3.0
   38    45    53    56   0.15000  1.0 3.0
   39    38    45    50   0.15000  1.0 3.0
   39    38    45    73   0.15000  1.0 3.0
   39    38    45    53   0.15000  1.0 3.0
   40    38    45    50   0.15000  1.0 3.0
   40    38    45    73   0.15000  1.0 3.0
   40    38    45    53   0.15000  1.0 3.0
   45    50    60    61   0.19200  1.0 3.0
   45    50    60    62   0.19200  1.0 3.0
   45    50   -60    68   1.36600  1.0 1.0
   45    50   -60    68  -0.11450 -1.0 2.0
   45    50   -60    68   0.24250  1.0 3.0
   50    45   -73    68   0.47100  1.0 1.0
   50    45    73    74   0.15000  1.0 3.0
   50    45    73    75   0.15000  1.0 3.0
   50    45    53    54   0.15000  1.0 3.0
   50    45    53    55   0.15000  1.0 3.0
   50    45    53    56   0.15000  1.0 3.0
   50    60    68    69   0.15000  1.0 3.0
   50    60    68    70   0.15000  1.0 3.0
   50    60   -68    73   0.56750  1.0 1.0
   50    60   -68    73  -0.07550 -1.0 2.0
   50    60   -68    73   0.20000  1.0 3.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    68   0.15000  1.0 3.0
   52    50    60    61   0.15000  1.0 3.0
   52    50    60    62   0.15000  1.0 3.0
   52    50    60    68   0.15000  1.0 3.0
   60    68   -73    45   1.36600  1.0 1.0
   60    68   -73    45  -0.11450 -1.0 2.0
   60    68   -73    45   0.24250  1.0 3.0
   60    68    73    74   0.15000  1.0 3.0
   60    68    73    75   0.15000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    73   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    73   0.15000  1.0 3.0
   69    68    73    45   0.19200  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   70    68    73    45   0.19200  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   73    45    50    51   0.15000  1.0 3.0
   73    45    50    52   0.15000  1.0 3.0
   73    45   -50    60   0.47100  1.0 1.0
   73    45    53    54   0.15000  1.0 3.0
   73    45    53    55   0.15000  1.0 3.0
   73    45    53    56   0.15000  1.0 3.0
   53    45    50    51   0.15000  1.0 3.0
   53    45    50    52   0.15000  1.0 3.0
   53    45    50    60   0.47100  1.0 1.0
   53    45    73    68   0.47100  1.0 1.0
   53    45    73    74   0.15000  1.0 3.0
   53    45    73    75   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    57    46    47  10.50000 -1.0 2.0
   67    71    66    57   1.00000 -1.0 2.0
   66    76    71    72  10.50000 -1.0 2.0
   71    77    76    78  10.50000 -1.0 2.0
   79    88    77    76   4.00000 -1.0 2.0
   82    80    79    77   1.10000 -1.0 2.0
   88    89    87    82   4.00000 -1.0 2.0
   91    87    89    90   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
END
