* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    167    274     489
    1     0 S   NP   _N1_     1    28.59858    96.89025   -22.14695
    2     1 S   H    _HN1     2     1.02771    98.42953   -93.56523
    3     1 S   H    _H1_     3     1.02951    71.59646    13.03483
    4     1 S   H    _H2_     4     1.02826    42.23786   159.01161
    5     1 S   CT   _CA1     5     1.50187   145.86864   112.39652
    6     5 S   HC   _HA1     6     1.09581   105.15346    90.93790
    7     5 S   CO3  _C1_     7     1.53784   112.00950   -29.05866
    8     7 S   O2Z  _O11     8     1.26376   114.97962   -49.21363
    9     7 S   O2Z  _O12     9     1.26215   114.89273   129.21766
   10     5 S   CT   _CB1    10     1.53047   107.30464  -151.36800
   11    10 S   HC   HB11    11     1.09839   109.28497   -50.10556
   12    10 S   HC   HB12    12     1.09809   110.50949    66.42690
   13    10 S   CT   _CG1    13     1.53018   112.69614  -171.08500
   14    13 S   HC   HG11    14     1.09572   110.53312   -65.90078
   15    13 S   HC   HG12    15     1.09657   109.89173    53.33498
   16    13 S   C    _CD1    16     1.51879   112.00307   173.69491
   17    16 S   O    _OE1    17     1.22765   123.21968     6.11254
   18    16 S   N    _N2_    18     1.38528   111.91244  -173.84215
   19    18 S   H    _HN2    19     1.01867   118.87242    -0.19683
   20    18 S   CT1  _CA2    20     1.46164   123.57811   179.88636
   21    20 S   HC   _HA2    21     1.09733   109.32653     6.50795
   22    20 S   C    _C2_    22     1.53547   109.22297  -109.45419
   23    22 S   O    _O2_    23     1.23098   121.91183  -146.16678
   24    20 S   CT   _CB2    32     1.53522   111.27832   128.24783
   25    24 S   HC   HB21    33     1.09175   109.31560    60.03382
   26    24 S   HC   HB22    34     1.09422   110.03930   177.49017
   27    22 S   N    _N3_    24     1.38402   113.87889    41.37665
   28    27 S   H    _HN3    25     1.01459   119.08253    -0.66998
   29    24 S   S    _SG2    35     1.83224   111.23067   -63.25297
   30    27 S   CT   _CA3    26     1.45453   123.41611   175.33507
   31    30 S   HC   HA31    27     1.09524   109.26672    24.78432
   32    30 S   HC   HA32    28     1.09501   107.13364   141.73860
   33    29 S   CT   _C21    36     1.87530   102.58638   149.73509
   34    30 S   CO3  _C3_    29     1.52904   113.00447   -98.73026
   35    34 S   O2Z  _O31    30     1.26412   115.32614   -48.13463
   36    34 S   O2Z  _O32    31     1.26347   115.05325   132.77497
   37    33 S   CT   _C19    37     1.55943   104.29311  -176.26115
   38    37 S   HC   _H14    38     1.09608   110.65652   -60.77635
   39    37 S   HC   _H15    39     1.09548   111.28847    56.67789
   40    33 S   CT   _C22    74     1.56439   110.18881    62.36668
   41    40 S   HC   _H17    75     1.09712   111.85027   -54.67681
   42    40 S   HC   _H18    76     1.09702   111.04189  -172.02007
   43    37 S   S    _S1_    40     1.83030   115.74022   178.21644
   44    40 S   NAP  _N5_    77     1.49347   115.09995    67.34037
   45    43 S   C4T  _C20    41     1.81879    97.25928   -56.00107
   46    45 S   HC   _H16    42     1.09458   114.48202   -79.35497
   47    44 S   CA   _C13    78     1.35203   120.36250   -87.04922
   48    47 S   HA   _H12    79     1.08190   117.52719     0.38967
   49    45 S   C4T  _C4_    43     1.55639   116.70097   143.83748
   50    49 S   HC   _H4_    44     1.09694   113.85523   138.35241
   51    45 S   N4   _N7_    47     1.45287   108.64664    47.96071
   52    47 S   CA   _C11    80     1.38924   121.28429  -178.83837
   53    52 S   HA   _H10    81     1.08652   119.16395  -178.94464
   54    49 S   C4   _C5_    45     1.55123    85.25842  -109.77487
   55    54 S   O    _O1_    46     1.20887   136.59735   178.26607
   56    33 S   CT1  _C24    48     1.57008   110.63201   -57.34518
   57    56 S   HC   _H22    49     1.09849   108.26148    82.51039
   58    49 S   N    _N4_    53     1.47846   118.27022     4.69732
   59    58 S   H    _H3_    54     1.01675   119.35853   -94.43093
   60    52 S   CA   _C15    82     1.39248   119.37998     1.25180
   61    56 S   CO3  _C25    50     1.55116   117.94100   -37.93507
   62    61 S   O2Z  _O7_    51     1.26536   114.59219   123.40166
   63    61 S   O2Z  _O8_    52     1.26169   116.04022   -56.75749
   64    58 S   C    _C18    55     1.39156   122.40000    85.04000
   65    64 S   O    _O4_    56     1.22819   123.53474     0.04846
   66    60 S   CA   _C12    83     1.39114   118.92339     1.81305
   67    66 S   HA   _H11    84     1.08439   122.10276   176.37150
   68    60 S   C    _C17    87     1.48469   118.58124   179.55898
   69    68 S   O    _O3_    88     1.22714   120.28248   -21.32382
   70    64 S   CT   _C23    57     1.52082   112.21286  -178.45237
   71    70 S   HC   _H19    58     1.09924   107.41919   -36.19497
   72    44 S   CA   _C14    85     1.35351   119.78958    98.45953
   73    72 S   HA   _H13    86     1.08308   117.41059    -0.17583
   74    68 S   N    _N6_    89     1.37564   116.84799   157.69227
   75    74 S   H    _H20    90     1.01312   124.17139    -2.89543
   76    74 S   H    _H21    91     1.01457   119.62343  -179.94405
   77    70 S   CA   _C16    59     1.51678   112.86106    84.50426
   78    70 S   SY   _S2_    70     1.79132   112.56175  -150.57787
   79    78 S   OY   _O33    71     1.46146   105.23155   -65.25114
   80    78 S   OY   _O5_    72     1.46313   103.00693    55.22020
   81    78 S   OY   _O6_    73     1.46329   103.56280   174.11280
   82    77 S   CA   _C9_    60     1.40423   119.54335  -133.42526
   83    82 S   HA   _H8_    61     1.08765   120.33067    -0.54858
   84    82 S   CA   _C7_    62     1.39623   120.81227  -180.00000
   85    84 S   HA   _H6_    63     1.08626   119.90570   179.60883
   86    84 S   CA   _C6_    64     1.39254   120.07281    -0.00000
   87    86 S   HA   _H5_    65     1.08597   120.08362   179.63150
   88    86 S   CA   _C8_    66     1.39236   119.86199    -0.09691
   89    88 S   HA   _H7_    67     1.08628   120.04941   179.79252
   90    77 S   CA   _C10    68     1.40364   122.10150    46.58291
   91    90 S   HA   _H9_    69     1.08756   120.59833     0.45197
  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  14   5   4  14   5   4   8  10  12   6   8   4
  10   6   8   8   3   7   2   4   3   7   3   9   2   1   1  10
   4   6   3   5   3  12   7   1   1   2   1   1  13   5   2   1
   1   8   4   6   3   5   3   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    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    56    57    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    51    56    57    61    62    63    40    41    42    44    47    72  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    56    57    61    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    52    66    72    73    43    51    56    57    61  
   42    44    47    72    56  
   44    47    72    56  
   45    46    49    50    54    51    56    58  
   47    48    52    53    60    66    67    72    73    56  
   46    49    50    54    55    51    56    57    61    58    59    64  
   49    50    54    51    56    58  
   48    52    53    60    66    72    73    68  
   52    53    60    72  
   50    54    55    51    56    58    59    64    65    70  
   54    55    51    58    59    64  
   56    57    61    62    63    58    54    55  
   53    60    66    67    72    68    69    74  
   60    66    68  
   55    56    57    61    58    59    64  
   56    58  
   57    61    62    63  
   61    62    63  
   59    64    65    70    71    77    78  
   64    65    70  
   66    67    72    73    68    69    74    75    76  
   62    63  
   63  
    0  
   65    70    71    77    82    90    78    79    80    81  
   70    71    77    78  
   67    72    73    68    69    74  
   72    73    68  
   69    74    75    76    72  
   74    75    76  
   71    77    82    83    84    88    90    91    78    79    80    81  
   77    82    90    78    79    80    81  
   73  
    0  
   75    76  
   76  
    0  
   82    83    84    85    86    88    89    90    91    78    79    80    81  
   79    80    81    82    90  
   80    81  
   81  
    0  
   83    84    85    86    87    88    90    91  
   84    85    86    90  
   85    86    87    88    89    90  
   86    87    88  
   87    88    89    90    91  
   88    89    90  
   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   0.047500   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   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   68   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   70   3.5000   0.0660  -0.234400   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   75   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   76   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.2500   1.453700   2.0025   1.7750   0.025682759  -1.666211680
   79   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   80   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   81   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    54   250.000  1.540
   49    58   337.000  1.449
   54    55   930.000  1.212
   54    51   440.000  1.369
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   58    59   434.000  1.010
   58    64   490.000  1.335
   64    65   570.000  1.229
   64    70   317.000  1.522
   70    71   340.000  1.090
   70    77   317.000  1.510
   70    78   205.000  1.840
   77    82   469.000  1.400
   77    90   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   78    79   735.000  1.471
   78    80   735.000  1.471
   78    81   735.000  1.471
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   280.000  1.457
   44    47   485.000  1.342
   44    72   485.000  1.342
   47    48   367.000  1.080
   47    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    66   469.000  1.400
   60    68   400.000  1.490
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   68    69   570.000  1.229
   68    74   490.000  1.335
   74    75   434.000  1.010
   74    76   434.000  1.010
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    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    51    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  109.47200
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    51    54   100.00000   93.00000
   45    51    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    51    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    64    50.00000  121.90000
   54    49    50    40.00000  113.37500
   54    51    56    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    54    55    75.00000  131.60000
   51    56    57    35.00000  109.50000
   51    56    61    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   61    56    57    35.00000  109.50000
   63    61    62    80.00000  126.00000
   58    49    50    50.00000  112.01000
   58    49    54    75.00000  110.24000
   58    64    65    80.00000  122.90000
   58    64    70    70.00000  116.60000
   64    58    59    35.00000  119.80000
   64    70    71    35.00000  109.50000
   64    70    77    70.00000  109.44300
   64    70    78    75.00000  108.36600
   70    64    65    80.00000  120.40000
   70    77    82    70.00000  120.00000
   70    77    90    70.00000  120.00000
   70    78    79   100.00000  108.55000
   70    78    80   100.00000  108.55000
   70    78    81   100.00000  108.55000
   77    70    71    35.00000  109.50000
   77    82    83    35.00000  120.00000
   77    82    84    63.00000  120.00000
   77    90    88    63.00000  120.00000
   77    90    91    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    63.00000  120.00000
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   90    77    82    63.00000  120.00000
   90    88    89    35.00000  120.00000
   78    70    71    45.00000  108.39800
   78    70    77    75.00000  108.84000
   80    78    79   115.00000  120.17200
   81    78    79   115.00000  120.17200
   81    78    80   115.00000  120.17200
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    70.00000  119.18700
   40    44    72    70.00000  119.18700
   42    40    41    33.00000  107.80000
   44    40    41    50.00000  106.41000
   44    40    42    50.00000  106.41000
   44    47    48    45.00000  112.84900
   44    47    52    70.00000  119.29800
   44    72    66    70.00000  119.29800
   44    72    73    45.00000  112.84900
   47    52    53    35.00000  120.00000
   47    52    60    63.00000  120.00000
   52    47    48    35.00000  120.00000
   52    60    66    63.00000  120.00000
   52    60    68    85.00000  120.00000
   60    52    53    35.00000  120.00000
   60    66    67    35.00000  120.00000
   60    66    72    63.00000  120.00000
   60    68    69    80.00000  120.40000
   60    68    74    75.00000  113.92100
   66    72    73    35.00000  120.00000
   72    44    47    70.00000  123.81700
   72    66    67    35.00000  120.00000
   68    60    66    85.00000  120.00000
   68    74    75    35.00000  119.80000
   68    74    76    35.00000  119.80000
   74    68    69    80.00000  122.90000
   76    74    75    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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
   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    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    51   0.71400  1.0 1.0
   29    33    56    51   0.04300 -1.0 2.0
   29    33    56    51   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    61  -2.17200  1.0 1.0
   29    33    56    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    61    62   0.00000  1.0 1.0
   33    56    61    63   0.00000  1.0 1.0
   33    40    44    47   0.00000  1.0 1.0
   33    40    44    72   0.00000  1.0 1.0
   37    33    56    51   0.42250  1.0 1.0
   37    33    56    51  -0.48100 -1.0 2.0
   37    33    56    51   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    61  -0.84850  1.0 1.0
   37    33    56    61  -0.22800 -1.0 2.0
   37    33    56    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45   -51    54   0.00000  1.0 1.0
   43    45    51    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    51   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    64  -0.43950  1.0 1.0
   45    49    58    64  -0.08100 -1.0 2.0
   45    49    58    64   0.03350  1.0 3.0
   45    51   -56    33   0.00000  1.0 1.0
   45    51    56    57   0.00000  1.0 1.0
   45    51    56    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45   -51    54   0.00000  1.0 1.0
   46    45    51    56   0.00000  1.0 1.0
   49    45   -51    54   0.00000  1.0 1.0
   49    45    51    56   0.00000  1.0 1.0
   49    54   -51    45   3.00000 -1.0 2.0
   49    54   -51    56   3.00000 -1.0 2.0
   49    58    64    65   3.04450 -1.0 2.0
   49    58    64    70   1.49850  1.0 1.0
   49    58    64    70   1.53950 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    51   0.00000  1.0 1.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    64   0.00000  1.0 1.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    64  -0.42300  1.0 1.0
   54    49    58    64  -0.07000 -1.0 2.0
   54    49    58    64   0.04150  1.0 3.0
   54    51    56    33   0.00000  1.0 1.0
   54    51    56    57   0.00000  1.0 1.0
   54    51    56    61   0.00000  1.0 1.0
   55    54   -51    45   3.00000 -1.0 2.0
   55    54    51    56   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    54   3.00000 -1.0 2.0
   51    45    49    58   2.20050  1.0 1.0
   51    45    49    58   0.63450 -1.0 2.0
   51    45    49    58  -0.91300  1.0 3.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   0.56750  1.0 1.0
   56    33    40    44  -0.07550 -1.0 2.0
   56    33    40    44   0.20000  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    51   0.00000  1.0 1.0
   58    64    70    71   0.00000  1.0 1.0
   58    64    70    77   0.00000  1.0 1.0
   58    64    70    78   0.00000  1.0 1.0
   59    58    64    65   2.45000 -1.0 2.0
   59    58    64    70   2.45000 -1.0 2.0
   64    70    77    82   0.04300 -1.0 2.0
   64    70    77    90   0.04300 -1.0 2.0
   64    70    78    79  -0.67400  1.0 1.0
   64    70    78    79   0.68950 -1.0 2.0
   64    70    78    79  -0.11550  1.0 3.0
   64    70    78    80  -0.67400  1.0 1.0
   64    70    78    80   0.68950 -1.0 2.0
   64    70    78    80  -0.11550  1.0 3.0
   64    70    78    81  -0.67400  1.0 1.0
   64    70    78    81   0.68950 -1.0 2.0
   64    70    78    81  -0.11550  1.0 3.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    77   0.30150 -1.0 2.0
   65    64    70    78   0.30150 -1.0 2.0
   70    77    82    83   3.62500 -1.0 2.0
   70    77    82    84   3.62500 -1.0 2.0
   70    77    90    88   3.62500 -1.0 2.0
   70    77    90    91   3.62500 -1.0 2.0
   71    70    77    82   0.00000  1.0 1.0
   71    70    77    90   0.00000  1.0 1.0
   71    70    78    79   0.26000  1.0 3.0
   71    70    78    80   0.26000  1.0 3.0
   71    70    78    81   0.26000  1.0 3.0
   77    70    78    79  -0.67400  1.0 1.0
   77    70    78    79   0.68950 -1.0 2.0
   77    70    78    79  -0.11550  1.0 3.0
   77    70    78    80  -0.67400  1.0 1.0
   77    70    78    80   0.68950 -1.0 2.0
   77    70    78    80  -0.11550  1.0 3.0
   77    70    78    81  -0.67400  1.0 1.0
   77    70    78    81   0.68950 -1.0 2.0
   77    70    78    81  -0.11550  1.0 3.0
   77    82    84    85   3.62500 -1.0 2.0
   77    82    84    86   3.62500 -1.0 2.0
   82    77    90    88   3.62500 -1.0 2.0
   82    77    90    91   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   82    84   -86    88   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    86    88    89   3.62500 -1.0 2.0
   84    86    88    90   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88   -90    77   3.62500 -1.0 2.0
   86    88    90    91   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    90   3.62500 -1.0 2.0
   89    88    90    77   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   90    77    82    83   3.62500 -1.0 2.0
   90    77   -82    84   3.62500 -1.0 2.0
   78    70    77    82   0.04300 -1.0 2.0
   78    70    77    90   0.04300 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    51   0.42250  1.0 1.0
   40    33    56    51  -0.48100 -1.0 2.0
   40    33    56    51   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    61  -0.84850  1.0 1.0
   40    33    56    61  -0.22800 -1.0 2.0
   40    33    56    61   0.29250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    52   3.62500 -1.0 2.0
   40    44    72    66   3.62500 -1.0 2.0
   40    44    72    73   3.62500 -1.0 2.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    72   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    40    44    72   0.00000  1.0 1.0
   44    47    52    53   3.62500 -1.0 2.0
   44    47    52    60   3.62500 -1.0 2.0
   47    44    72    66   3.62500 -1.0 2.0
   47    44    72    73   3.62500 -1.0 2.0
   47    52   -60    66   3.62500 -1.0 2.0
   47    52    60    68   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    60   3.62500 -1.0 2.0
   52    60    66    67   3.62500 -1.0 2.0
   52    60    66    72   3.62500 -1.0 2.0
   52    60    68    69   1.05000 -1.0 2.0
   52    60    68    74   0.75700  1.0 1.0
   52    60    68    74   0.34650 -1.0 2.0
   52    60    68    74   0.33000  1.0 3.0
   52    60    68    74  -0.28100 -1.0 4.0
   53    52    60    66   3.62500 -1.0 2.0
   53    52    60    68   3.62500 -1.0 2.0
   60    66   -72    44   3.62500 -1.0 2.0
   60    66    72    73   3.62500 -1.0 2.0
   60    68    74    75   2.56700 -1.0 2.0
   60    68    74    76   2.56700 -1.0 2.0
   66    60    68    69   1.05000 -1.0 2.0
   66    60    68    74   0.75700  1.0 1.0
   66    60    68    74   0.34650 -1.0 2.0
   66    60    68    74   0.33000  1.0 3.0
   66    60    68    74  -0.28100 -1.0 4.0
   67    66    72    44   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   72    44    47    48   3.62500 -1.0 2.0
   72    44   -47    52   3.62500 -1.0 2.0
   68    60    66    67   3.62500 -1.0 2.0
   68    60    66    72   3.62500 -1.0 2.0
   69    68    74    75   2.45000 -1.0 2.0
   69    68    74    76   2.45000 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   49    51    54    55  10.50000 -1.0 2.0
   56    54    51    45   1.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
   59    64    58    49   1.00000 -1.0 2.0
   58    70    64    65  10.50000 -1.0 2.0
   82    90    77    70   4.00000 -1.0 2.0
   84    83    82    77   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   90    89    88    86   1.10000 -1.0 2.0
   88    91    90    77   1.10000 -1.0 2.0
   47    72    44    40   4.00000 -1.0 2.0
   52    48    47    44   1.10000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   66    68    60    52   4.00000 -1.0 2.0
   72    67    66    60   1.10000 -1.0 2.0
   66    73    72    44   1.10000 -1.0 2.0
   60    74    68    69  10.50000 -1.0 2.0
   76    68    74    75   1.00000 -1.0 2.0
END
