* LIGAND DATABASE FILE (OPLS2005)
*
001      91    92    169    252     495
    1     0 S   NP   _N1_     1    29.39242   101.22897   -21.08435
    2     1 S   H    _HN1     2     1.02777    93.43222   -95.79772
    3     1 S   H    _H1_     3     1.02956    52.48538    14.76945
    4     1 S   H    _H2_     4     1.02835    64.31797   155.99046
    5     1 S   CT   _CA1     5     1.50122   153.59557    70.88463
    6     5 S   HC   _HA1     6     1.09571   105.23161   133.00325
    7     5 S   CO3  _C1_     7     1.53741   112.32065    12.73893
    8     7 S   O2Z  _O11     8     1.26376   114.98497   -44.42838
    9     7 S   O2Z  _O12     9     1.26210   114.96310   134.69357
   10     5 S   CT   _CB1    10     1.53083   107.43151  -109.00263
   11    10 S   HC   HB11    11     1.09827   109.38511   -49.70113
   12    10 S   HC   HB12    12     1.09814   110.45120    66.90319
   13    10 S   CT   _CG1    13     1.52978   112.61664  -170.70358
   14    13 S   HC   HG11    14     1.09551   110.57918   -64.16599
   15    13 S   HC   HG12    15     1.09663   109.87540    54.96400
   16    13 S   C    _CD1    16     1.51853   112.27510   175.34756
   17    16 S   O    _OE1    17     1.22739   123.32849     1.99145
   18    16 S   N    _N2_    18     1.38431   111.63206  -178.09176
   19    18 S   H    _HN2    19     1.01778   118.74580     4.43049
   20    18 S   CT1  _CA2    20     1.45899   123.21615   177.30158
   21    20 S   HC   _HA2    21     1.09714   109.14527    22.67105
   22    20 S   C    _C2_    22     1.52932   106.89598   -94.33789
   23    22 S   O    _O2_    23     1.22974   123.10582   -26.51914
   24    20 S   CT   _CB2    32     1.53197   111.60058   146.17802
   25    24 S   HC   HB21    33     1.09289   109.00504    50.54122
   26    24 S   HC   HB22    34     1.09505   110.71471   168.91720
   27    22 S   N    _N3_    24     1.38514   112.53864   156.16281
   28    27 S   H    _HN3    25     1.01659   120.34819    -1.98110
   29    24 S   S    _SG2    35     1.82886   110.73092   -71.85383
   30    27 S   CT   _CA3    26     1.45353   122.45681   178.64376
   31    30 S   HC   HA31    27     1.09568   107.77103   -56.42970
   32    30 S   HC   HA32    28     1.09563   107.63874    59.88973
   33    29 S   CT   _C11    36     1.88389   102.51360   152.65004
   34    30 S   CO3  _C3_    29     1.52883   114.35647  -178.33141
   35    34 S   O2Z  _O31    30     1.26332   116.07724    -0.59413
   36    34 S   O2Z  _O32    31     1.26440   114.40779   179.38388
   37    33 S   CT   _C10    37     1.56969   107.96736   -68.96734
   38    37 S   HC   _H12    38     1.09489   110.22087  -177.53137
   39    37 S   HC   _H13    39     1.09945   107.60583    73.51636
   40    33 S   CT   _C12    58     1.60276   108.08540   168.28245
   41    40 S   OM   _O35    59     1.32906   110.51392   -66.48923
   42    40 S   HC   _H6_    60     1.08747   105.25006    59.85773
   43    33 S   CT   _C17    88     1.55469   109.58302    47.40372
   44    43 S   HC   _H19    89     1.09560   112.50838    54.29456
   45    43 S   HC   _H20    90     1.09499   112.44927   -66.69429
   46    43 S   HC   _H21    91     1.09574   110.83084   174.95803
   47    37 S   CT   _C9_    40     1.55082   121.96983   -48.30413
   48    47 S   HC   _H5_    41     1.09616   109.43645    63.81341
   49    47 S   CT   _C8_    42     1.54647   117.59752   -58.69866
   50    49 S   HC   _H4_    43     1.09330   108.77621    69.30673
   51    47 S   OS   _O36    75     1.45716   106.08503  -179.76261
   52    49 S   CM   _C22    44     1.49697   111.70134  -171.29187
   53    51 S   CO4  _C18    76     1.36602   117.60161   -88.62209
   54    53 S   O    _O37    77     1.22416   125.89638     1.20024
   55    52 S   CO4  _C24    45     1.47381   109.46832   103.24997
   56    55 S   O    _O38    46     1.21726   127.18566  -170.84434
   57    52 S   CM   _C23    72     1.33526   128.18478   -78.59203
   58    57 S   HC   _H29    73     1.08490   120.84719     1.09754
   59    57 S   HC   _H30    74     1.08530   121.75988  -179.25928
   60    53 S   CT   _C19    78     1.51658   109.41285  -177.91025
   61    60 S   HC   _H22    79     1.09712   108.24624   -32.60134
   62    55 S   OS   _O39    47     1.36228   106.98114     8.59738
   63    60 S   CT   _C20    80     1.52306   109.42775    86.88039
   64    63 S   HC   _H23    81     1.09550   111.20488    61.56946
   65    63 S   HC   _H24    82     1.09502   111.01273   -57.97606
   66    63 S   HC   _H25    83     1.09480   110.89572  -178.04175
   67    60 S   CT   _C21    84     1.52576   110.53097  -150.25985
   68    67 S   HC   _H26    85     1.09572   111.52241   -63.18747
   69    67 S   HC   _H27    86     1.09495   110.78198   176.46061
   70    67 S   HC   _H28    87     1.09549   110.77012    56.54611
   71    49 S   CT   _C7_    48     1.53217   115.03660   -57.45788
   72    71 S   HC   _H3_    49     1.08721   113.20164    17.43198
   73    71 S   CM   _C6_    50     1.50924   113.08103   144.75698
   74    73 S   HC   _H11    51     1.09135   112.85074    76.48816
   75    73 S   CM   _C5_    52     1.35024   130.59355  -104.82075
   76    75 S   CT   _C14    53     1.52590   129.90863     3.04902
   77    76 S   HC   _H7_    54     1.09879   106.78517   147.99609
   78    75 S   CT   _C4_    68     1.51608   117.84074  -176.84409
   79    78 S   HC   _H8_    69     1.09514   110.26972   122.28817
   80    78 S   HC   _H9_    70     1.09516   112.82486     2.27538
   81    78 S   HC   _H10    71     1.09516   110.20084  -117.82720
   82    76 S   CT   _C13    55     1.54713   120.49333    26.22499
   83    82 S   HC   _H14    56     1.10191   107.98571  -179.80021
   84    82 S   HC   _H15    57     1.08882   107.75750   -70.08655
   85    76 S   OS   _O33    61     1.45294   105.70040   -96.27224
   86    85 S   CO4  _C15    62     1.36197   118.07963  -143.34693
   87    86 S   O    _O34    63     1.22289   126.68617     0.26614
   88    86 S   CT   _C16    64     1.49859   109.37067  -179.76593
   89    88 S   HC   _H16    65     1.09291   109.83071   -61.00585
   90    88 S   HC   _H17    66     1.09380   109.36928   179.94405
   91    88 S   HC   _H18    67     1.09292   109.82924    60.91242
  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  13   5   4   3
  18   2   1   1  18   7   6  14   6   5   5   2   1   1  14   6
  15   8   8   9  11   4   8   3   4   1   1   9   8   5   7   3
   2   1   3   2   1   1   6   3  10   3  11  12   6   5   2   1
   1   4   2   1   6   5   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    82    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    76    82    83    84    40    41    42    51    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    52    71    82    40    41    42    51    53    43    44    45    46  
   39    47    48    49    40    51    43  
   47    48    49    40    51    43  
   41    42    85    43    44    45    46    47    75    76    77    82    83    84  
   42    43    76    82    83    84  
   43    76    82    83    84  
   44    45    46    47    82  
   45    46  
   46  
    0  
   48    49    50    52    55    62    71    72    73    57    51    53    54    60  
   49    50    52    71    51    53  
   50    52    55    56    62    71    72    73    74    75    57    58    59    51    53  
   52    55    62    71    72    73    57    51  
   53    54    60    61    63    67    52    71  
   55    56    62    71    72    73    57    58    59  
   54    60    61    63    64    65    66    67    68    69    70  
   60    61    63    67  
   56    62    71    72    73    57    58    59  
   62    71    57  
   58    59    62    71  
   59  
    0  
   61    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    70  
   71    72    73    74    75  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    78  
   73    74    75  
   74    75    76    77    82    85    78    79    80    81  
   75    76    78  
   76    77    82    83    84    85    86    78    79    80    81  
   77    82    83    84    85    86    87    88    78    79    80    81  
   82    83    84    85    86    78  
   79    80    81    82    85  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85  
   85  
   86    87    88    89    90    91  
   87    88    89    90    91  
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   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    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   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    71   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    62   214.000  1.327
   62    71   320.000  1.410
   71    72   340.000  1.090
   71    73   317.000  1.510
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   317.000  1.510
   75    78   317.000  1.510
   76    77   340.000  1.090
   76    82   268.000  1.529
   76    85   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   85    86   214.000  1.327
   86    87   570.000  1.229
   86    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   317.000  1.522
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    58.35000  112.70000
   37    47    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    71    58.35000  112.70000
   47    51    53    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    71    62    50.00000  109.50000
   49    71    72    37.50000  110.70000
   49    71    73    70.00000  112.02700
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    62    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    62    71    83.00000  116.90000
   62    55    56    83.00000  123.40000
   62    71    72    35.00000  109.50000
   62    71    73    85.00000  110.90400
   71    49    50    37.50000  110.70000
   71    49    52    70.00000  112.02700
   71    73    74    35.00000  117.00000
   71    73    75    70.00000  124.00000
   73    71    72    35.00000  109.50000
   73    75    76    70.00000  124.00000
   73    75    78    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    82    70.00000  112.02700
   75    76    85    85.00000  110.90400
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    40    58.35000  112.70000
   76    85    86    83.00000  116.90000
   82    76    77    37.50000  110.70000
   82    40    41    50.00000  109.50000
   82    40    42    37.50000  110.70000
   84    82    83    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    82    84    37.50000  110.70000
   42    40    41    45.00000  125.66300
   85    76    77    35.00000  109.50000
   85    76    82    50.00000  109.50000
   85    86    87    83.00000  123.40000
   85    86    88    81.00000  111.40000
   86    88    89    35.00000  109.50000
   86    88    90    35.00000  109.50000
   86    88    91    35.00000  109.50000
   88    86    87    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   78    75    76    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    81.00000  111.40000
   53    60    61    35.00000  109.50000
   53    60    63    63.00000  111.10000
   53    60    67    63.00000  111.10000
   60    53    54    80.00000  120.40000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   63    60    61    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    82   0.44750  1.0 1.0
   29    33    40    82  -0.17800 -1.0 2.0
   29    33    40    82   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.56750  1.0 1.0
   33    37    47    49  -0.07550 -1.0 2.0
   33    37    47    49   0.20000  1.0 3.0
   33    37    47    51   0.62750  1.0 1.0
   33    37    47    51  -0.30950 -1.0 2.0
   33    37    47    51   0.27300  1.0 3.0
   37    33    40    82   0.56750  1.0 1.0
   37    33    40    82  -0.07550 -1.0 2.0
   37    33    40    82   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.15000  1.0 3.0
   37    47    49    52   0.34400  1.0 1.0
   37    47    49    52   0.09450 -1.0 2.0
   37    47    49    52   0.11100  1.0 3.0
   37    47    49    71   0.56750  1.0 1.0
   37    47    49    71  -0.07550 -1.0 2.0
   37    47    49    71   0.20000  1.0 3.0
   37    47    51    53  -0.25900  1.0 1.0
   37    47    51    53  -0.47000 -1.0 2.0
   37    47    51    53   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    51   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    51   0.23400  1.0 3.0
   47    49    52    55   0.09700  1.0 1.0
   47    49    52    55   0.15600 -1.0 2.0
   47    49    52    55  -0.50800  1.0 3.0
   47    49    52    57   0.09850  1.0 1.0
   47    49    52    57   0.15250 -1.0 2.0
   47    49    52    57  -0.50650  1.0 3.0
   47    49    71    62   0.62750  1.0 1.0
   47    49    71    62  -0.30950 -1.0 2.0
   47    49    71    62   0.27300  1.0 3.0
   47    49    71    72   0.15000  1.0 3.0
   47    49    71    73   0.34400  1.0 1.0
   47    49    71    73   0.09450 -1.0 2.0
   47    49    71    73   0.11100  1.0 3.0
   47    51    53    54   3.00000 -1.0 2.0
   47    51    53    60   1.63150  1.0 1.0
   47    51    53    60   2.92000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    71   0.15000  1.0 3.0
   48    47    51    53   0.08050  1.0 3.0
   49    47    51    53  -0.25900  1.0 1.0
   49    47    51    53  -0.47000 -1.0 2.0
   49    47    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    62  -0.15000  1.0 1.0
   49    52   -55    62   0.89550 -1.0 2.0
   49    52   -55    62  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    71    73    74   0.00000  1.0 1.0
   49    71    73    75   0.09850  1.0 1.0
   49    71    73    75   0.15250 -1.0 2.0
   49    71    73    75  -0.50650  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    71    62   0.23400  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   50    49    71    73   0.15000  1.0 3.0
   52    49   -71    62   0.61850  1.0 1.0
   52    49   -71    62  -0.22750 -1.0 2.0
   52    49   -71    62   0.15300  1.0 3.0
   52    49    71    72   0.15000  1.0 3.0
   52    49    71    73   0.31000  1.0 1.0
   52    49    71    73   0.14700 -1.0 2.0
   52    49    71    73   0.07550  1.0 3.0
   52    55   -62    71   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    62   -71    49  -0.25900  1.0 1.0
   55    62   -71    49  -0.47000 -1.0 2.0
   55    62   -71    49   0.11750  1.0 3.0
   55    62    71    72   0.08050  1.0 3.0
   55    62    71    73  -0.82050  1.0 1.0
   55    62    71    73   0.00600 -1.0 2.0
   55    62    71    73   0.04400  1.0 3.0
   56    55    62    71   3.00000 -1.0 2.0
   62    71    73    74   0.00000  1.0 1.0
   62    71    73    75   0.39000  1.0 1.0
   62    71    73    75  -0.05800 -1.0 2.0
   62    71    73    75  -0.55150  1.0 3.0
   71    49   -52    55   0.09700  1.0 1.0
   71    49   -52    55   0.15600 -1.0 2.0
   71    49   -52    55  -0.50800  1.0 3.0
   71    49    52    57   0.09850  1.0 1.0
   71    49    52    57   0.15250 -1.0 2.0
   71    49    52    57  -0.50650  1.0 3.0
   71    73    75    76   7.00000 -1.0 2.0
   71    73    75    78   7.00000 -1.0 2.0
   72    71    73    74   0.33100  1.0 3.0
   72    71    73    75   0.00000  1.0 1.0
   73    75    76    77   0.00000  1.0 1.0
   73    75    76    82   0.09850  1.0 1.0
   73    75    76    82   0.15250 -1.0 2.0
   73    75    76    82  -0.50650  1.0 3.0
   73    75    76    85   0.39000  1.0 1.0
   73    75    76    85  -0.05800 -1.0 2.0
   73    75    76    85  -0.55150  1.0 3.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.00000  1.0 1.0
   73    75    78    81   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    78   7.00000 -1.0 2.0
   75    76    82    83   0.15000  1.0 3.0
   75    76    82    84   0.15000  1.0 3.0
   75    76    82    40   0.34400  1.0 1.0
   75    76    82    40   0.09450 -1.0 2.0
   75    76    82    40   0.11100  1.0 3.0
   75    76    85    86  -0.82050  1.0 1.0
   75    76    85    86   0.00600 -1.0 2.0
   75    76    85    86   0.04400  1.0 3.0
   76    75    78    79   0.34800  1.0 3.0
   76    75    78    80   0.34800  1.0 3.0
   76    75    78    81   0.34800  1.0 3.0
   76    82    40    33   0.56750  1.0 1.0
   76    82    40    33  -0.07550 -1.0 2.0
   76    82    40    33   0.20000  1.0 3.0
   76    82    40    41   0.62750  1.0 1.0
   76    82    40    41  -0.30950 -1.0 2.0
   76    82    40    41   0.27300  1.0 3.0
   76    82    40    42   0.15000  1.0 3.0
   76    85    86    87   3.00000 -1.0 2.0
   76    85    86    88   1.63150  1.0 1.0
   76    85    86    88   2.92000 -1.0 2.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    40   0.15000  1.0 3.0
   77    76    85    86   0.08050  1.0 3.0
   82    76    85    86  -0.25900  1.0 1.0
   82    76    85    86  -0.47000 -1.0 2.0
   82    76    85    86   0.11750  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    41   0.23400  1.0 3.0
   83    82    40    42   0.15000  1.0 3.0
   84    82    40    33   0.15000  1.0 3.0
   84    82    40    41   0.23400  1.0 3.0
   84    82    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   85    76    82    83   0.23400  1.0 3.0
   85    76    82    84   0.23400  1.0 3.0
   85    76    82    40   0.62750  1.0 1.0
   85    76    82    40  -0.30950 -1.0 2.0
   85    76    82    40   0.27300  1.0 3.0
   85    86    88    89   0.00000  1.0 1.0
   85    86    88    90   0.00000  1.0 1.0
   85    86    88    91   0.00000  1.0 1.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    90   0.00000  1.0 1.0
   87    86    88    91   0.00000  1.0 1.0
   78    75    76    77   0.34800  1.0 3.0
   78    75    76    82   0.46850  1.0 1.0
   78    75    76    82   0.08550 -1.0 2.0
   78    75    76    82   0.09800  1.0 3.0
   78    75    76    85   0.09700  1.0 1.0
   78    75    76    85   0.15600 -1.0 2.0
   78    75    76    85  -0.50800  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    62  -0.56150  1.0 1.0
   57    52    55    62   2.19150 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    71   0.62750  1.0 1.0
   51    47    49    71  -0.30950 -1.0 2.0
   51    47    49    71   0.27300  1.0 3.0
   51    53    60    61   0.00000  1.0 1.0
   51    53    60    63   0.36750  1.0 3.0
   51    53    60    67   0.36750  1.0 3.0
   53    60    63    64  -0.11250  1.0 3.0
   53    60    63    65  -0.11250  1.0 3.0
   53    60    63    66  -0.11250  1.0 3.0
   53    60    67    68  -0.11250  1.0 3.0
   53    60    67    69  -0.11250  1.0 3.0
   53    60    67    70  -0.11250  1.0 3.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    63   0.30150 -1.0 2.0
   54    53    60    67   0.30150 -1.0 2.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   63    60    67    68   0.15000  1.0 3.0
   63    60    67    69   0.15000  1.0 3.0
   63    60    67    70   0.15000  1.0 3.0
   67    60    63    64   0.15000  1.0 3.0
   67    60    63    65   0.15000  1.0 3.0
   67    60    63    66   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    82   0.56750  1.0 1.0
   43    33    40    82  -0.07550 -1.0 2.0
   43    33    40    82   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   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
   49    55    52    57   1.10000 -1.0 2.0
   52    62    55    56  10.50000 -1.0 2.0
   71    74    73    75   1.10000 -1.0 2.0
   76    78    75    73   1.10000 -1.0 2.0
   85    88    86    87  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
END
