* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    171    256     508
    1     0 S   NP   _N1_     1    29.68373    92.50967   -25.25102
    2     1 S   H    _HN1     2     1.02783   109.08353  -112.09744
    3     1 S   H    _H1_     3     1.02952    98.30232     0.69633
    4     1 S   H    _H2_     4     1.02829     9.17179   163.80861
    5     1 S   CT   _CA1     5     1.50125   117.38636   118.86544
    6     5 S   HC   _HA1     6     1.09565   105.22503    66.13995
    7     5 S   CO3  _C1_     7     1.53817   112.42052   -54.18449
    8     7 S   O2Z  _O11     8     1.26379   115.00340   -41.58532
    9     7 S   O2Z  _O12     9     1.26232   114.95675   137.50738
   10     5 S   CT   _CB1    10     1.53045   107.41169  -175.76330
   11    10 S   HC   HB11    11     1.09834   109.53837   -48.55550
   12    10 S   HC   HB12    12     1.09782   110.32691    68.01386
   13    10 S   CT   _CG1    13     1.53000   112.66960  -169.48882
   14    13 S   HC   HG11    14     1.09577   110.65441   -62.96310
   15    13 S   HC   HG12    15     1.09648   109.86879    56.39172
   16    13 S   C    _CD1    16     1.51725   112.06153   177.04329
   17    16 S   O    _OE1    17     1.22749   123.18271     6.78174
   18    16 S   N    _N2_    18     1.38683   111.84006  -173.86001
   19    18 S   H    _HN2    19     1.01576   119.14560     3.19623
   20    18 S   CT1  _CA2    20     1.46048   123.10763  -178.92153
   21    20 S   HC   _HA2    21     1.09557   109.10103     2.77262
   22    20 S   C    _C2_    22     1.53515   109.52704  -112.32644
   23    22 S   O    _O2_    23     1.23087   122.02142  -151.81396
   24    20 S   CT   _CB2    32     1.53531   111.94149   124.78480
   25    24 S   HC   HB21    33     1.09676   109.33257    69.89344
   26    24 S   HC   HB22    34     1.09520   110.69074  -173.42013
   27    22 S   N    _N3_    24     1.38251   113.90254    35.65777
   28    27 S   H    _HN3    25     1.01587   119.57214    -3.50956
   29    24 S   S    _SG2    35     1.83066   115.27130   -49.17664
   30    27 S   CT   _CA3    26     1.45285   123.19567   176.97541
   31    30 S   HC   HA31    27     1.09550   107.52981   -63.96148
   32    30 S   HC   HA32    28     1.09557   107.95688    52.46377
   33    29 S   CT   _C14    36     1.84170   101.14129   -64.43661
   34    33 S   HC   _H3_    37     1.09303   108.69913    38.49399
   35    30 S   CO3  _C3_    29     1.52952   114.10081   174.45207
   36    35 S   O2Z  _O31    30     1.26375   116.06595    -0.52039
   37    35 S   O2Z  _O32    31     1.26428   114.41068   179.54243
   38    33 S   CM   _C7_    38     1.51161   106.46188   156.10043
   39    38 S   HC   _H30    39     1.08822   117.55131    63.16922
   40    33 S   CT   _C10    66     1.53349   109.75536   -82.19759
   41    40 S   HC   _H31    67     1.09598   110.91625    51.38369
   42    40 S   HC   _H32    68     1.09503   110.11152   -68.07265
   43    38 S   CM   _C6_    40     1.34318   123.28888  -114.34975
   44    43 S   HC   _H29    41     1.08857   119.10865    -2.19017
   45    43 S   CT   _C13    42     1.51498   124.29290   174.82358
   46    45 S   HC   _H36    43     1.09860   108.74830     2.28602
   47    45 S   CT   _C18    44     1.54993   110.69774   121.32365
   48    47 S   HC   _H41    45     1.09794   110.00236    49.67953
   49    45 S   CT   _C20    90     1.53199   107.66262  -114.50726
   50    49 S   HC   _H45    91     1.09572   111.39881   -70.58161
   51    49 S   HC   _H46    92     1.09464   111.16196   168.68795
   52    49 S   HC   _H47    93     1.09649   111.25660    49.78851
   53    47 S   OS   _O24    46     1.45088   107.56827   -71.38162
   54    47 S   CT   _C24    83     1.53860   113.24977   171.03676
   55    54 S   HC   _H57    84     1.09498   110.33246   -62.03657
   56    54 S   HC   _H58    85     1.09669   109.81884    56.63681
   57    53 S   CO4  _C8_    47     1.35758   118.36203   112.25863
   58    57 S   O    _O22    48     1.21959   127.50129    -1.76857
   59    54 S   CT   _C23    86     1.52463   112.58179   177.30122
   60    59 S   HC   _H54    87     1.09426   111.53843   -64.04027
   61    59 S   HC   _H55    88     1.09472   110.05438   176.50823
   62    59 S   HC   _H56    89     1.09460   110.93887    56.95902
   63    57 S   CM   _C4_    49     1.47846   107.11765   178.07888
   64    63 S   HC   _H27    50     1.08440   118.35371   -12.47486
   65    63 S   CM   _C5_    51     1.34029   120.06215   166.10956
   66    65 S   HC   _H28    52     1.08845   119.91566     0.64801
   67    65 S   CT   _C12    53     1.50970   123.49044  -179.73166
   68    67 S   HC   _H35    54     1.09721   110.13693    -2.01480
   69    67 S   CT   _C17    55     1.55332   113.19335   119.98717
   70    69 S   HC   _H40    56     1.09556   108.95978    56.81046
   71    67 S   CT   _C19    79     1.53846   107.52034  -116.88915
   72    71 S   HC   _H42    80     1.09603   111.38266   -67.36635
   73    71 S   HC   _H43    81     1.09504   111.28835   172.05932
   74    71 S   HC   _H44    82     1.09634   111.07386    52.93010
   75    69 S   CT   _C16    57     1.55611   117.43729   -68.58024
   76    75 S   HC   _H39    58     1.09918   106.47177  -172.09312
   77    69 S   OH   _O25    77     1.43799   107.69177   170.52964
   78    77 S   HO   _H59    78     0.97245   107.61154  -172.76684
   79    75 S   CT   _C11    59     1.54324   116.74611    68.70013
   80    79 S   HC   _H33    60     1.09397   110.04799   -70.35047
   81    79 S   HC   _H34    61     1.09888   107.57727   176.55764
   82    75 S   CT   _C22    73     1.53795   111.82299   -57.64776
   83    82 S   HC   _H51    74     1.09455   111.63171    69.80438
   84    82 S   HC   _H52    75     1.09450   111.51681   -51.49070
   85    82 S   HC   _H53    76     1.09574   110.44906  -170.70280
   86    79 S   CT   _C15    62     1.53613   115.72798    55.06603
   87    86 S   HC   _H38    63     1.09510   109.81728   -47.52711
   88    86 S   CO4  _C9_    64     1.52821   110.42673  -162.86581
   89    88 S   O    _O23    65     1.23278   119.91056   115.79570
   90    86 S   CT   _C21    69     1.52493   112.83031    72.48126
   91    90 S   HC   _H48    70     1.09522   111.62580    54.64458
   92    90 S   HC   _H49    71     1.09443   111.00442   -65.86092
   93    90 S   HC   _H50    72     1.09552   110.79360   174.37465
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11   4   9   4   3  11   4  13   8  16   7
   5   2   1   1   9   7   5   4   6   3   3   2   1   1   7   3
  11   4  13   8  17   7   5   2   1   1  14   9   3   1  14   6
   5   4   2   1   1   7   6   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    88    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    86    88    89    40    41    42  
   38    39    43    88    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    47    88    40    41    42    49  
   43    44    45    40  
   41    42    90    43    79    86    87    88    89  
   42    86    88    89  
   86    88    89  
   44    45    46    47    48    53    54    49    50    51    52  
   45    46    47    49  
   46    47    48    53    57    54    55    56    59    49    50    51    52  
   47    48    53    54    49    50    51    52  
   48    53    57    58    63    54    55    56    59    60    61    62    49    50    51    52  
   53    57    54    55    56    59    49  
   50    51    52    53    54  
   51    52  
   52  
    0  
   57    58    63    64    65    54    55    56    59  
   55    56    59    60    61    62    57  
   56    59    60    61    62  
   59    60    61    62  
   58    63    64    65    66    67  
   63    64    65  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    71  
   65    66    67  
   66    67    68    69    70    75    77    71    72    73    74  
   67    68    69    71  
   68    69    70    75    76    79    82    77    78    71    72    73    74  
   69    70    75    77    71    72    73    74  
   70    75    76    79    80    81    86    82    83    84    85    77    78    71    72    73    74  
   75    76    79    82    77    78    71  
   72    73    74    75    77  
   73    74  
   74  
    0  
   76    79    80    81    86    87    88    90    82    83    84    85    77    78  
   79    80    81    86    82    83    84    85    77  
   78    79    82  
    0  
   80    81    86    87    88    89    90    91    92    93    82    83    84    85  
   81    86    87    88    90    82  
   86    87    88    90    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89    90    91    92    93  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90  
   91    92    93  
   92    93  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    45   317.000  1.510
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   268.000  1.529
   47    48   340.000  1.090
   47    53   320.000  1.410
   47    54   268.000  1.529
   53    57   214.000  1.327
   57    58   570.000  1.229
   57    63   320.000  1.462
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   268.000  1.529
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    77   320.000  1.410
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   268.000  1.529
   86    87   340.000  1.090
   86    88   317.000  1.522
   86    90   268.000  1.529
   88    89   570.000  1.229
   88    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   77    78   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    88    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    45    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    45    46    35.00000  109.50000
   43    45    47    70.00000  112.02700
   43    45    49    70.00000  112.02700
   45    43    44    35.00000  117.00000
   45    47    48    37.50000  110.70000
   45    47    53    50.00000  109.50000
   45    47    54    58.35000  112.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    37.50000  110.70000
   47    45    46    37.50000  110.70000
   47    53    57    83.00000  116.90000
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    59    58.35000  112.70000
   53    47    48    35.00000  109.50000
   53    57    58    83.00000  123.40000
   53    57    63    90.00000  111.29400
   57    63    64    40.00000  117.72500
   57    63    65    65.00000  118.96000
   63    57    58    80.00000  123.72100
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    70.00000  112.02700
   65    67    71    70.00000  112.02700
   67    65    66    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    75    58.35000  112.70000
   67    69    77    50.00000  109.50000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   69    67    68    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    79    58.35000  112.70000
   69    75    82    58.35000  112.70000
   69    77    78    55.00000  108.50000
   75    69    70    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    86    58.35000  112.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   79    75    76    37.50000  110.70000
   79    86    87    37.50000  110.70000
   79    86    88    63.00000  111.10000
   79    86    90    58.35000  112.70000
   81    79    80    33.00000  107.80000
   86    79    80    37.50000  110.70000
   86    79    81    37.50000  110.70000
   86    88    89    80.00000  120.40000
   86    88    40    70.00000  116.00000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    93    37.50000  110.70000
   88    86    87    35.00000  109.50000
   88    40    41    35.00000  109.50000
   88    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    88    89    80.00000  120.40000
   42    40    41    33.00000  107.80000
   90    86    87    37.50000  110.70000
   90    86    88    63.00000  111.10000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    79    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   77    69    70    35.00000  109.50000
   77    69    75    50.00000  109.50000
   71    67    68    37.50000  110.70000
   71    67    69    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    53    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    88   0.56750  1.0 1.0
   29    33    40    88  -0.07550 -1.0 2.0
   29    33    40    88   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    88  -0.11250  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    88  -0.98800  1.0 1.0
   38    33    40    88   0.48800 -1.0 2.0
   38    33    40    88   0.76800  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    45    46   0.00000  1.0 1.0
   38    43    45    47   0.09850  1.0 1.0
   38    43    45    47   0.15250 -1.0 2.0
   38    43    45    47  -0.50650  1.0 3.0
   38    43    45    49   0.09850  1.0 1.0
   38    43    45    49   0.15250 -1.0 2.0
   38    43    45    49  -0.50650  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    45   7.00000 -1.0 2.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    53   0.61850  1.0 1.0
   43    45    47    53  -0.22750 -1.0 2.0
   43    45    47    53   0.15300  1.0 3.0
   43    45    47    54   0.34400  1.0 1.0
   43    45    47    54   0.09450 -1.0 2.0
   43    45    47    54   0.11100  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    51   0.15000  1.0 3.0
   43    45    49    52   0.15000  1.0 3.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    49   0.00000  1.0 1.0
   45    47    53    57  -0.25900  1.0 1.0
   45    47    53    57  -0.47000 -1.0 2.0
   45    47    53    57   0.11750  1.0 3.0
   45    47    54    55   0.15000  1.0 3.0
   45    47    54    56   0.15000  1.0 3.0
   45    47    54    59   0.56750  1.0 1.0
   45    47    54    59  -0.07550 -1.0 2.0
   45    47    54    59   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    53   0.23400  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    52   0.15000  1.0 3.0
   47    53    57    58   3.00000 -1.0 2.0
   47    53    57    63   2.00000 -1.0 2.0
   47    54    59    60   0.15000  1.0 3.0
   47    54    59    61   0.15000  1.0 3.0
   47    54    59    62   0.15000  1.0 3.0
   48    47    53    57   0.08050  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    59   0.15000  1.0 3.0
   53    47    54    55   0.23400  1.0 3.0
   53    47    54    56   0.23400  1.0 3.0
   53    47    54    59   0.62750  1.0 1.0
   53    47    54    59  -0.30950 -1.0 2.0
   53    47    54    59   0.27300  1.0 3.0
   53    57    63    64   1.63100 -1.0 2.0
   53    57    63    65  -0.56150  1.0 1.0
   53    57    63    65   2.19150 -1.0 2.0
   57    63    65    66   7.00000 -1.0 2.0
   57    63    65    67   7.00000 -1.0 2.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    65   1.00000 -1.0 2.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    69   0.09850  1.0 1.0
   63    65    67    69   0.15250 -1.0 2.0
   63    65    67    69  -0.50650  1.0 3.0
   63    65    67    71   0.09850  1.0 1.0
   63    65    67    71   0.15250 -1.0 2.0
   63    65    67    71  -0.50650  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    75   0.34400  1.0 1.0
   65    67    69    75   0.09450 -1.0 2.0
   65    67    69    75   0.11100  1.0 3.0
   65    67    69    77   1.05650  1.0 1.0
   65    67    69    77   0.15600 -1.0 2.0
   65    67    69    77   0.53150  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67    71    73   0.15000  1.0 3.0
   65    67    71    74   0.15000  1.0 3.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    71   0.00000  1.0 1.0
   67    69    75    76   0.15000  1.0 3.0
   67    69    75    79   0.56750  1.0 1.0
   67    69    75    79  -0.07550 -1.0 2.0
   67    69    75    79   0.20000  1.0 3.0
   67    69    75    82   0.56750  1.0 1.0
   67    69    75    82  -0.07550 -1.0 2.0
   67    69    75    82   0.20000  1.0 3.0
   67    69    77    78  -0.11600  1.0 1.0
   67    69    77    78  -0.09450 -1.0 2.0
   67    69    77    78   0.21250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    75   0.15000  1.0 3.0
   68    67    69    77   0.23400  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    74   0.15000  1.0 3.0
   69    75    79    80   0.15000  1.0 3.0
   69    75    79    81   0.15000  1.0 3.0
   69    75    79    86   0.56750  1.0 1.0
   69    75    79    86  -0.07550 -1.0 2.0
   69    75    79    86   0.20000  1.0 3.0
   69    75    82    83   0.15000  1.0 3.0
   69    75    82    84   0.15000  1.0 3.0
   69    75    82    85   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    79   0.15000  1.0 3.0
   70    69    75    82   0.15000  1.0 3.0
   70    69    77    78   0.19450  1.0 3.0
   75    69    77    78  -0.11600  1.0 1.0
   75    69    77    78  -0.09450 -1.0 2.0
   75    69    77    78   0.21250  1.0 3.0
   75    79    86    87   0.15000  1.0 3.0
   75    79    86    88  -0.95700  1.0 1.0
   75    79    86    88  -0.18200 -1.0 2.0
   75    79    86    88   0.29450  1.0 3.0
   75    79    86    90   0.56750  1.0 1.0
   75    79    86    90  -0.07550 -1.0 2.0
   75    79    86    90   0.20000  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    86   0.15000  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    84   0.15000  1.0 3.0
   76    75    82    85   0.15000  1.0 3.0
   79    75    82    83   0.15000  1.0 3.0
   79    75    82    84   0.15000  1.0 3.0
   79    75    82    85   0.15000  1.0 3.0
   79    86    88    89   0.30150 -1.0 2.0
   79    86    88    40   0.60050  1.0 1.0
   79    86    88    40   0.05600 -1.0 2.0
   79    86    88    40   0.26150  1.0 3.0
   79    86    90    91   0.15000  1.0 3.0
   79    86    90    92   0.15000  1.0 3.0
   79    86    90    93   0.15000  1.0 3.0
   80    79    86    87   0.15000  1.0 3.0
   80    79    86    88  -0.11250  1.0 3.0
   80    79    86    90   0.15000  1.0 3.0
   81    79    86    87   0.15000  1.0 3.0
   81    79    86    88  -0.11250  1.0 3.0
   81    79    86    90   0.15000  1.0 3.0
   86    88    40    33   0.60050  1.0 1.0
   86    88    40    33   0.05600 -1.0 2.0
   86    88    40    33   0.26150  1.0 3.0
   86    88    40    41   0.00000  1.0 1.0
   86    88    40    42   0.00000  1.0 1.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    40   0.00000  1.0 1.0
   87    86    90    91   0.15000  1.0 3.0
   87    86    90    92   0.15000  1.0 3.0
   87    86    90    93   0.15000  1.0 3.0
   88    86    90    91  -0.11250  1.0 3.0
   88    86    90    92  -0.11250  1.0 3.0
   88    86    90    93  -0.11250  1.0 3.0
   89    88    40    33   0.30150 -1.0 2.0
   89    88    40    41   0.00000  1.0 1.0
   89    88    40    42   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   90    86    88    89   0.30150 -1.0 2.0
   90    86    88    40   0.60050  1.0 1.0
   90    86    88    40   0.05600 -1.0 2.0
   90    86    88    40   0.26150  1.0 3.0
   82    75    79    80   0.15000  1.0 3.0
   82    75    79    81   0.15000  1.0 3.0
   82    75    79    86   0.56750  1.0 1.0
   82    75    79    86  -0.07550 -1.0 2.0
   82    75    79    86   0.20000  1.0 3.0
   77    69    75    76   0.23400  1.0 3.0
   77    69    75    79   0.86500  1.0 1.0
   77    69    75    79  -0.17500 -1.0 2.0
   77    69    75    79   0.20800  1.0 3.0
   77    69    75    82   0.86500  1.0 1.0
   77    69    75    82  -0.17500 -1.0 2.0
   77    69    75    82   0.20800  1.0 3.0
   71    67    69    70   0.15000  1.0 3.0
   71    67    69    75   0.56750  1.0 1.0
   71    67    69    75  -0.07550 -1.0 2.0
   71    67    69    75   0.20000  1.0 3.0
   71    67    69    77   0.86500  1.0 1.0
   71    67    69    77  -0.17500 -1.0 2.0
   71    67    69    77   0.20800  1.0 3.0
   54    47    53    57  -0.25900  1.0 1.0
   54    47    53    57  -0.47000 -1.0 2.0
   54    47    53    57   0.11750  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    53   0.62750  1.0 1.0
   49    45    47    53  -0.30950 -1.0 2.0
   49    45    47    53   0.27300  1.0 3.0
   49    45    47    54   0.56750  1.0 1.0
   49    45    47    54  -0.07550 -1.0 2.0
   49    45    47    54   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   45    44    43    38   1.10000 -1.0 2.0
   53    63    57    58  10.50000 -1.0 2.0
   57    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   86    40    88    89  10.50000 -1.0 2.0
END
