* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    163    237     461
    1     0 S   NP   _N1_     1    28.65520    95.55530   -19.66888
    2     1 S   H    _HN1     2     1.02954    92.55179    37.34607
    3     1 S   H    _H1_     3     1.02841    38.07961   152.19627
    4     1 S   H    _H2_     4     1.02788    79.91617   -70.77166
    5     1 S   CT   _CA1     5     1.50095   147.46721   173.48178
    6     5 S   HC   _HA1     6     1.09587   105.21636    45.34235
    7     5 S   CO3  _C1_     7     1.53680   112.33509   -74.72899
    8     7 S   O2Z  _O11     8     1.26354   115.07972   -48.08044
    9     7 S   O2Z  _O12     9     1.26242   114.87277   131.12202
   10     5 S   CT   _CB1    10     1.53082   107.43625   163.00491
   11    10 S   HC   HB11    11     1.09816   109.06847   -52.81058
   12    10 S   HC   HB12    12     1.09821   110.56022    63.65001
   13    10 S   CT   _CG1    13     1.53014   112.70512  -174.05868
   14    13 S   HC   HG11    14     1.09590   110.30526   -65.60260
   15    13 S   HC   HG12    15     1.09650   110.09249    53.51951
   16    13 S   C    _CD1    16     1.51837   112.28319   173.50064
   17    16 S   O    _OE1    17     1.22730   123.20131    -8.48017
   18    16 S   N    _N2_    18     1.38571   111.70478   172.50103
   19    18 S   H    _HN2    19     1.01599   118.98543    -0.73409
   20    18 S   CT1  _CA2    20     1.46269   123.46059   179.35745
   21    20 S   HC   _HA2    21     1.09731   109.38238   -14.53773
   22    20 S   C    _C2_    22     1.53434   108.15837  -130.13238
   23    22 S   O    _O2_    23     1.23012   122.32376  -145.57616
   24    20 S   CT   _CB2    32     1.53279   111.35319   107.79087
   25    24 S   HC   HB21    33     1.09503   109.56915    53.96167
   26    24 S   HC   HB22    34     1.09519   110.83125   172.21268
   27    22 S   N    _N3_    24     1.38532   113.32748    41.82293
   28    27 S   H    _HN3    25     1.01527   118.92472    -0.58182
   29    24 S   S    _SG2    35     1.82852   111.74197   -68.79657
   30    27 S   CT   _CA3    26     1.45440   123.38652   175.00535
   31    30 S   HC   HA31    27     1.09528   109.16648    25.96322
   32    30 S   HC   HA32    28     1.09494   107.14871   142.96518
   33    29 S   CT   _C16    36     1.84079    99.69500   144.01176
   34    33 S   HC   _H3_    37     1.09329   104.86639    40.79719
   35    30 S   CO3  _C3_    29     1.52931   113.12433   -97.45502
   36    35 S   O2Z  _O31    30     1.26403   115.40816   -44.37733
   37    35 S   O2Z  _O32    31     1.26356   114.97487   136.53670
   38    33 S   CA   _C17    38     1.51929   112.02577   -76.92792
   39    33 S   CM   _C15    63     1.51634   108.22810   158.68442
   40    39 S   HC   _H17    64     1.09324   114.24836    60.70504
   41    38 S   CA   _C18    39     1.40161   119.55217   120.98253
   42    41 S   HA   _H18    40     1.08708   120.39583    -0.43701
   43    39 S   CMA  _C14    65     1.35867   129.74142  -118.56180
   44    43 S   OM   _O39    66     1.26576   126.92314   178.09094
   45    41 S   CA   _C19    41     1.39641   120.76647   179.59555
   46    45 S   HA   _H19    42     1.08737   119.22746  -180.00000
   47    43 S   CA   _C6_    67     1.50001   114.20949    -0.28531
   48    45 S   CA   _C20    43     1.39693   120.63315    -0.25488
   49    47 S   CA   _C7_    68     1.41055   120.78843    92.24710
   50    48 S   CA   _C21    44     1.39498   119.15118     0.26834
   51    50 S   HA   _H20    45     1.08562   122.00995   179.79729
   52    48 S   OS   _O38    48     1.36909   114.88045  -179.79252
   53    49 S   CA   _C8_    69     1.39915   120.76254  -177.02981
   54    49 S   OH   _O37    93     1.37274   121.66333     2.54730
   55    54 S   HO   _H16    94     0.97310   108.54132     7.99768
   56    38 S   CA   _C22    46     1.40382   122.25533   -59.60878
   57    56 S   HA   _H21    47     1.08775   120.46741     0.41590
   58    52 S   CT   _C23    49     1.42645   116.94002   176.84526
   59    58 S   HC   _H22    50     1.09506   110.46295    60.83326
   60    58 S   HC   _H23    51     1.09748   110.77134   -59.95650
   61    53 S   CA   _C9_    70     1.39701   120.10439    -2.76987
   62    53 S   OS   _O36    88     1.37244   120.06740  -179.84805
   63    58 S   CA   _C24    52     1.50600   107.99768  -179.44609
   64    61 S   CA   _C10    71     1.39737   119.96906     4.03561
   65    61 S   OS   _O35    83     1.37203   120.04108   179.87180
   66    62 S   CT   _C13    89     1.42838   109.95445   -90.08434
   67    66 S   HC   _H13    90     1.09406   107.78828  -180.00000
   68    66 S   HC   _H14    91     1.09556   111.40814    61.67928
   69    66 S   HC   _H15    92     1.09554   111.23340   -61.76375
   70    63 S   CA   _C25    53     1.40128   120.54535   -98.60197
   71    70 S   HA   _H24    54     1.08756   120.37193    -0.90374
   72    47 S   CA   _C5_    72     1.41296   120.84137   -86.73013
   73    64 S   OS   _O34    78     1.37197   118.93762   178.17576
   74    65 S   CT   _C12    84     1.42788   109.98395    91.43274
   75    74 S   HC   _H10    85     1.09407   107.79265   179.55194
   76    74 S   HC   _H11    86     1.09554   111.29990    61.28682
   77    74 S   HC   _H12    87     1.09544   111.29543   -62.18734
   78    70 S   CA   _C26    55     1.39581   120.40027   179.12374
   79    78 S   HA   _H25    56     1.08624   119.90862   179.80218
   80    72 S   OS   _O33    73     1.37509   119.23544     0.38104
   81    73 S   CT   _C11    79     1.42743   110.40402   -98.90298
   82    81 S   HC   _H7_    80     1.09408   107.76956   169.60556
   83    81 S   HC   _H8_    81     1.09596   111.77361    51.10914
   84    81 S   HC   _H9_    82     1.09438   110.88565   -72.50081
   85    78 S   CA   _C27    57     1.39384   120.08023    -0.30774
   86    85 S   HA   _H26    58     1.08611   120.01159  -179.94766
   87    80 S   CT   _C4_    74     1.42780   110.62282  -103.30957
   88    87 S   HC   _H4_    75     1.09412   107.73241   166.03351
   89    87 S   HC   _H5_    76     1.09574   112.06772    47.38339
   90    87 S   HC   _H6_    77     1.09443   110.84693   -76.12428
   91    85 S   CA   _C28    59     1.39380   119.95887    -0.12195
   92    91 S   HA   _H27    60     1.08620   119.99563  -179.73756
   93    63 S   CA   _C29    61     1.40162   120.35554    79.78580
   94    93 S   HA   _H28    62     1.08722   120.26697     0.80891
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   8   3   7   3  11   9
  10   5   3   7  13   4   1   1   1   9   4   3  12   6   9  10
   6   3   2   1   1   8   4   7   5   3   2   1   1   6   3   4
   3   2   1   1   5   3   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    51    56    57    39    40    43  
   40    43    44    47    49    72    41    56  
   43    44    47  
   42    45    46    48    50    56    57    52  
   45    46    48    56  
   44    47    49    53    64    72    80    54  
   47    49    72  
   46    48    50    51    56    52    58  
   48    50    52  
   49    53    61    64    72    80    87    73    62    54    55  
   50    51    56    57    52    58    59    60    63  
   53    61    64    72    80    65    62    66    54    55  
   51    56    57    52    58  
   56    57    52  
   58    59    60    63    70    93    56  
   61    64    72    73    65    74    62    66    67    68    69    54    55  
   55    61    62    72  
    0  
   57  
    0  
   59    60    63    70    71    78    91    93    94  
   60    63    70    93  
   63    70    93  
   64    72    80    73    81    65    74    75    76    77    62    66  
   66    67    68    69    64    65  
   70    71    78    79    85    91    92    93    94  
   72    80    87    73    81    82    83    84    65    74  
   74    75    76    77    72    73  
   67    68    69  
   68    69  
   69  
    0  
   71    78    79    85    86    91    93    94  
   78    79    85    93  
   80    87    88    89    90    73    81  
   81    82    83    84    80  
   75    76    77  
   76    77  
   77  
    0  
   79    85    86    91    92    93  
   85    86    91  
   87    88    89    90  
   82    83    84  
   83    84  
   84  
    0  
   86    91    92    93    94  
   91    92    93  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94  
   93    94  
   94  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.181800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    52   450.000  1.364
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   52    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   317.000  1.510
   63    70   469.000  1.400
   63    93   469.000  1.400
   70    71   367.000  1.080
   70    78   469.000  1.400
   78    79   367.000  1.080
   78    85   469.000  1.400
   85    86   367.000  1.080
   85    91   469.000  1.400
   91    92   367.000  1.080
   91    93   469.000  1.400
   93    94   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    72   469.000  1.400
   49    53   469.000  1.400
   49    54   450.000  1.364
   53    61   469.000  1.400
   53    62   450.000  1.364
   61    64   469.000  1.400
   61    65   450.000  1.364
   64    72   469.000  1.400
   64    73   450.000  1.364
   72    80   450.000  1.364
   80    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   73    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   65    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   54    55   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    50    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    56    63.00000  120.00000
   48    52    58    75.00000  111.00000
   50    56    57    35.00000  120.00000
   56    38    41    63.00000  120.00000
   56    50    51    35.00000  120.00000
   52    48    50    70.00000  120.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    63    85.00000  111.85700
   58    63    70    70.00000  120.00000
   58    63    93    70.00000  120.00000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    70    71    35.00000  120.00000
   63    70    78    63.00000  120.00000
   63    93    91    63.00000  120.00000
   63    93    94    35.00000  120.00000
   70    78    79    35.00000  120.00000
   70    78    85    63.00000  120.00000
   78    70    71    35.00000  120.00000
   78    85    86    35.00000  120.00000
   78    85    91    63.00000  120.00000
   85    78    79    35.00000  120.00000
   85    91    92    35.00000  120.00000
   85    91    93    63.00000  120.00000
   91    85    86    35.00000  120.00000
   91    93    94    35.00000  120.00000
   93    63    70    63.00000  120.00000
   93    91    92    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    60.00000  123.20500
   43    39    40    40.00000  120.50800
   43    47    49    60.00000  120.93500
   43    47    72    60.00000  120.93500
   47    43    44    85.00000  114.86500
   47    49    53    63.00000  120.00000
   47    49    54    70.00000  120.00000
   47    72    64    63.00000  120.00000
   47    72    80    70.00000  120.00000
   49    53    61    63.00000  120.00000
   49    53    62    70.00000  120.00000
   49    54    55    35.00000  113.00000
   53    61    64    63.00000  120.00000
   53    61    65    70.00000  120.00000
   53    62    66    75.00000  111.00000
   61    64    72    63.00000  120.00000
   61    64    73    70.00000  120.00000
   61    65    74    75.00000  111.00000
   64    72    80    70.00000  120.00000
   64    73    81    75.00000  111.00000
   72    47    49    63.00000  120.00000
   72    80    87    75.00000  111.00000
   80    87    88    35.00000  109.50000
   80    87    89    35.00000  109.50000
   80    87    90    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   73    64    72    70.00000  120.00000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   65    61    64    70.00000  120.00000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   62    53    61    70.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   54    49    53    70.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    50   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    50   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    56   3.62500 -1.0 2.0
   45    48    52    58   1.63200 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    50   -56    38   3.62500 -1.0 2.0
   48    50    56    57   3.62500 -1.0 2.0
   48    52    58    59   0.08050  1.0 3.0
   48    52    58    60   0.08050  1.0 3.0
   48    52    58    63  -0.50150  1.0 1.0
   48    52    58    63  -0.23050 -1.0 2.0
   48    52    58    63   0.70600  1.0 3.0
   50    48    52    58   1.63200 -1.0 2.0
   51    50    56    38   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   52    48    50    51   3.62500 -1.0 2.0
   52    48    50    56   3.62500 -1.0 2.0
   52    58    63    70   0.64500  1.0 1.0
   52    58    63    70   0.14800 -1.0 2.0
   52    58    63    70   0.20650  1.0 3.0
   52    58    63    93   0.64500  1.0 1.0
   52    58    63    93   0.14800 -1.0 2.0
   52    58    63    93   0.20650  1.0 3.0
   58    63    70    71   3.62500 -1.0 2.0
   58    63    70    78   3.62500 -1.0 2.0
   58    63    93    91   3.62500 -1.0 2.0
   58    63    93    94   3.62500 -1.0 2.0
   59    58    63    70   0.00000  1.0 1.0
   59    58    63    93   0.00000  1.0 1.0
   60    58    63    70   0.00000  1.0 1.0
   60    58    63    93   0.00000  1.0 1.0
   63    70    78    79   3.62500 -1.0 2.0
   63    70    78    85   3.62500 -1.0 2.0
   70    63    93    91   3.62500 -1.0 2.0
   70    63    93    94   3.62500 -1.0 2.0
   70    78    85    86   3.62500 -1.0 2.0
   70    78   -85    91   3.62500 -1.0 2.0
   71    70    78    79   3.62500 -1.0 2.0
   71    70    78    85   3.62500 -1.0 2.0
   78    85    91    92   3.62500 -1.0 2.0
   78    85    91    93   3.62500 -1.0 2.0
   79    78    85    86   3.62500 -1.0 2.0
   79    78    85    91   3.62500 -1.0 2.0
   85    91   -93    63   3.62500 -1.0 2.0
   85    91    93    94   3.62500 -1.0 2.0
   86    85    91    92   3.62500 -1.0 2.0
   86    85    91    93   3.62500 -1.0 2.0
   92    91    93    63   3.62500 -1.0 2.0
   92    91    93    94   3.62500 -1.0 2.0
   93    63    70    71   3.62500 -1.0 2.0
   93    63   -70    78   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49   0.15800  1.0 1.0
   39    43    47    49   1.85350 -1.0 2.0
   39    43    47    49  -0.48700  1.0 3.0
   39    43    47    72   0.15800  1.0 1.0
   39    43    47    72   1.85350 -1.0 2.0
   39    43    47    72  -0.48700  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    53   3.62500 -1.0 2.0
   43    47    49    54   3.62500 -1.0 2.0
   43    47    72    64   3.62500 -1.0 2.0
   43    47    72    80   3.62500 -1.0 2.0
   44    43    47    49  -0.01750  1.0 1.0
   44    43    47    49  -0.32000 -1.0 2.0
   44    43    47    49   0.00600  1.0 3.0
   44    43    47    72  -0.01750  1.0 1.0
   44    43    47    72  -0.32000 -1.0 2.0
   44    43    47    72   0.00600  1.0 3.0
   47    49    53    61   3.62500 -1.0 2.0
   47    49    53    62   3.62500 -1.0 2.0
   47    49    54    55   0.84100 -1.0 2.0
   47    72    80    87   1.63200 -1.0 2.0
   49    47    72    64   3.62500 -1.0 2.0
   49    47    72    80   3.62500 -1.0 2.0
   49    53   -61    64   3.62500 -1.0 2.0
   49    53    61    65   3.62500 -1.0 2.0
   49    53    62    66   1.63200 -1.0 2.0
   53    49    54    55   0.84100 -1.0 2.0
   53    61    64    72   3.62500 -1.0 2.0
   53    61    64    73   3.62500 -1.0 2.0
   53    61    65    74   1.63200 -1.0 2.0
   53    62    66    67   0.08050  1.0 3.0
   53    62    66    68   0.08050  1.0 3.0
   53    62    66    69   0.08050  1.0 3.0
   61    53    62    66   1.63200 -1.0 2.0
   61    64   -72    47   3.62500 -1.0 2.0
   61    64    72    80   3.62500 -1.0 2.0
   61    64    73    81   1.63200 -1.0 2.0
   61    65    74    75   0.08050  1.0 3.0
   61    65    74    76   0.08050  1.0 3.0
   61    65    74    77   0.08050  1.0 3.0
   64    61    65    74   1.63200 -1.0 2.0
   64    72    80    87   1.63200 -1.0 2.0
   64    73    81    82   0.08050  1.0 3.0
   64    73    81    83   0.08050  1.0 3.0
   64    73    81    84   0.08050  1.0 3.0
   72    47   -49    53   3.62500 -1.0 2.0
   72    47    49    54   3.62500 -1.0 2.0
   72    64    73    81   1.63200 -1.0 2.0
   72    80    87    88   0.08050  1.0 3.0
   72    80    87    89   0.08050  1.0 3.0
   72    80    87    90   0.08050  1.0 3.0
   73    64    72    47   3.62500 -1.0 2.0
   73    64    72    80   3.62500 -1.0 2.0
   65    61    64    72   3.62500 -1.0 2.0
   65    61    64    73   3.62500 -1.0 2.0
   62    53    61    64   3.62500 -1.0 2.0
   62    53    61    65   3.62500 -1.0 2.0
   54    49    53    61   3.62500 -1.0 2.0
   54    49    53    62   3.62500 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    52    48    45   4.00000 -1.0 2.0
   56    51    50    48   1.10000 -1.0 2.0
   50    57    56    38   1.10000 -1.0 2.0
   70    93    63    58   4.00000 -1.0 2.0
   78    71    70    63   1.10000 -1.0 2.0
   85    79    78    70   1.10000 -1.0 2.0
   91    86    85    78   1.10000 -1.0 2.0
   93    92    91    85   1.10000 -1.0 2.0
   91    94    93    63   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   49    72    47    43   4.00000 -1.0 2.0
   53    54    49    47   4.00000 -1.0 2.0
   61    62    53    49   4.00000 -1.0 2.0
   64    65    61    53   4.00000 -1.0 2.0
   72    73    64    61   4.00000 -1.0 2.0
   64    80    72    47   4.00000 -1.0 2.0
END
