* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    163    252     475
    1     0 S   NP   _N1_     1    27.94790    95.31059   -23.23764
    2     1 S   H    _HN1     2     1.02776   100.78229  -110.76063
    3     1 S   H    _H1_     3     1.02957    85.27604    -2.96907
    4     1 S   H    _H2_     4     1.02835    27.08936   140.91357
    5     1 S   CT   _CA1     5     1.50121   135.31764   111.46857
    6     5 S   HC   _HA1     6     1.09574   105.22966    73.03756
    7     5 S   CO3  _C1_     7     1.53790   112.35925   -47.18064
    8     7 S   O2Z  _O11     8     1.26363   115.00340   -44.29350
    9     7 S   O2Z  _O12     9     1.26235   114.93094   134.85076
   10     5 S   CT   _CB1    10     1.53100   107.42749  -169.04460
   11    10 S   HC   HB11    11     1.09826   109.35517   -50.57898
   12    10 S   HC   HB12    12     1.09817   110.41731    65.98012
   13    10 S   CT   _CG1    13     1.53013   112.65848  -171.65489
   14    13 S   HC   HG11    14     1.09596   110.47884   -63.80375
   15    13 S   HC   HG12    15     1.09654   109.93867    55.39445
   16    13 S   C    _CD1    16     1.51835   112.32612   175.77747
   17    16 S   O    _OE1    17     1.22743   123.29442    -0.65730
   18    16 S   N    _N2_    18     1.38554   111.67983   179.30423
   19    18 S   H    _HN2    19     1.01557   118.99721     4.89337
   20    18 S   CT1  _CA2    20     1.45871   122.94003   178.18425
   21    20 S   HC   _HA2    21     1.09717   109.02671    22.44953
   22    20 S   C    _C2_    22     1.52896   106.82617   -94.74057
   23    22 S   O    _O2_    23     1.22995   122.95007   -28.49437
   24    20 S   CT   _CB2    32     1.53274   112.11715   145.67774
   25    24 S   HC   HB21    33     1.09373   109.60396    55.63553
   26    24 S   HC   HB22    34     1.09455   109.59932   174.13980
   27    22 S   N    _N3_    24     1.38473   112.66693   154.27264
   28    27 S   H    _HN3    25     1.01664   120.39531    -1.42340
   29    24 S   S    _SG2    35     1.82820   110.73588   -66.17408
   30    27 S   CT   _CA3    26     1.45366   122.40498   178.63327
   31    30 S   HC   HA31    27     1.09566   107.62910   -60.48498
   32    30 S   HC   HA32    28     1.09571   107.76289    55.81671
   33    29 S   CT   _C16    36     1.88654   102.43109   167.06042
   34    30 S   CO3  _C3_    29     1.52878   114.40173   177.83553
   35    34 S   O2Z  _O31    30     1.26322   116.08461     2.93832
   36    34 S   O2Z  _O32    31     1.26447   114.40524  -177.06855
   37    33 S   CT   _C15    37     1.54368   107.79210   -72.39925
   38    37 S   HC   _H9_    38     1.09438   112.41438    56.89016
   39    37 S   HC   _H10    39     1.09559   112.08020   -63.27137
   40    33 S   CT   _C17    78     1.59275   111.93161    47.43061
   41    40 S   OM   _O38    79     1.32966   109.63554    65.22350
   42    40 S   HC   _H3_    80     1.09904   105.81117   -62.51183
   43    33 S   OS   _O39    85     1.45021   109.44992   166.97750
   44    37 S   CO4  _C14    40     1.51578   110.80714   176.10670
   45    44 S   O    _O35    41     1.23147   121.17412   127.85607
   46    43 S   CT   _C20    86     1.41866   118.36676    68.86340
   47    46 S   HC   _H12    87     1.09392   107.76501  -168.22599
   48    46 S   HC   _H13    88     1.09290   110.73830    74.62181
   49    46 S   HC   _H14    89     1.09243   112.42253   -49.33682
   50    44 S   CT   _C13    42     1.52868   116.49296   -56.09028
   51    50 S   CO4  _C12    43     1.52417   112.04122   -70.67204
   52    51 S   O    _O34    44     1.22934   121.13539   -25.06556
   53    50 S   OH   _O40    83     1.42672   108.65237   174.70124
   54    53 S   HO   _H15    84     0.97367   107.79761    50.10534
   55    51 S   CA   _C10    45     1.49197   118.91728   157.22729
   56    55 S   CA   _C9_    46     1.38965   119.27876    -5.50773
   57    55 S   CA   _C11    56     1.41368   122.01778   173.71225
   58    56 S   CA   _C8_    47     1.39609   120.10683   178.41440
   59    58 S   HA   _H7_    48     1.09022   119.09630   179.98022
   60    57 S   OH   _O33    57     1.37538   119.84160     0.60263
   61    60 S   HO   _H8_    58     0.97265   110.11428     1.17753
   62    56 S   CO4  _C19    75     1.47953   121.47567    -1.74787
   63    62 S   O    _O36    76     1.22855   119.59200   159.92930
   64    58 S   CA   _C7_    49     1.40239   121.59234     0.71079
   65    50 S   CT   _C18    77     1.53595   108.99826    54.63461
   66    64 S   CA   _C21    50     1.40525   117.96804   179.81655
   67    66 S   HA   _H16    51     1.08797   118.28080     0.03426
   68    65 S   OH   _O37    81     1.43304   108.07203    68.40523
   69    68 S   HO   _H11    82     0.97468   105.96504  -166.92500
   70    66 S   CA   _C22    52     1.39062   121.62859   179.92087
   71    70 S   CA   _C23    53     1.39810   118.22271     0.05234
   72    70 S   OS   _O43    70     1.37042   124.99392  -179.79729
   73    71 S   CA   _C5_    54     1.41621   122.12172     0.53486
   74    71 S   CO4  _C24    63     1.47184   117.27307   179.78330
   75    74 S   O    _O41    64     1.21812   123.93044   -87.71893
   76    72 S   CT   _C26    71     1.42229   117.55158    -0.51548
   77    76 S   HC   _H20    72     1.09428   107.72983  -179.71954
   78    76 S   HC   _H21    73     1.09493   111.12482    62.58197
   79    76 S   HC   _H22    74     1.09494   111.14628   -62.00387
   80    64 S   CA   _C6_    55     1.41991   120.73014    -0.04846
   81    73 S   CT   _C4_    59     1.51310   119.36636   179.09799
   82    81 S   HC   _H4_    60     1.09476   110.20104  -120.68770
   83    81 S   HC   _H5_    61     1.09294   113.62316    -2.10710
   84    81 S   HC   _H6_    62     1.09467   110.17061   117.01685
   85    74 S   OS   _O42    65     1.35587   107.32002    92.29045
   86    85 S   CT   _C25    66     1.42982   114.78256  -179.84934
   87    86 S   HC   _H17    67     1.09328   108.13072   179.87489
   88    86 S   HC   _H18    68     1.09431   110.30397    61.14920
   89    86 S   HC   _H19    69     1.09431   110.28337   -61.41700
  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  11   5   4   3
  17   2   1   1  13   6   5  14   6   5   6  10   4   3   2   1
   1  12  12   5   5   1  12  11  10  10   4   4   1   5   2   8
   2   8   4   1   1  12  12   6   8   8   2   3   2   1   1   4
   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    65    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    62    65    40    41    42    68    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    44    45    50    51    65    40    41    42    53    43    46  
   39    44    45    50    40    43  
   44    45    50    40    43  
   41    42    68    69    53    43    46    44    50    51    56    62    63    65  
   42    68    43    50    62    65  
   68    43    50    62    65  
   46    47    48    49    44    65  
   45    50    51    52    55    62    65    68    53    54  
   50    51    65    53  
   47    48    49  
   48    49  
   49  
    0  
   51    52    55    56    57    62    63    65    68    69    53    54  
   52    55    56    58    80    57    60    62    65    68    53    54  
   55    56    57    65    53  
   54    55    62    65    68  
   65  
   56    58    59    64    73    80    57    60    61    62    63    65  
   58    59    64    66    80    57    60    62    63    65    68  
   60    61    81    62    58    64    66    71    73    80  
   59    64    66    67    70    73    80    62    63    65  
   64    66    80    62  
   61    64    73    80  
   80  
   63    65    68    69    64  
   65    68  
   66    67    70    71    73    80    81    72  
   68    69  
   67    70    71    73    80    74    72    76  
   70    71    80    72  
   69  
    0  
   71    73    80    81    74    75    85    72    76    77    78    79  
   73    80    81    82    83    84    74    75    85    86    72    76  
   76    77    78    79    73    74  
   80    81    82    83    84    74    75    85  
   75    85    86    87    88    89    80    81  
   85    86  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   317.000  1.522
   50    65   268.000  1.529
   50    53   320.000  1.410
   51    52   570.000  1.229
   51    55   310.000  1.470
   55    56   469.000  1.400
   55    57   469.000  1.400
   56    58   469.000  1.400
   56    62   310.000  1.470
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    66   469.000  1.400
   64    80   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    73   469.000  1.400
   71    74   310.000  1.470
   73    80   469.000  1.400
   73    81   317.000  1.510
   80    57   469.000  1.400
   57    60   450.000  1.364
   60    61   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   570.000  1.229
   74    85   214.000  1.327
   85    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   72    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   68    69   553.000  0.945
   53    54   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    46    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    50    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    50    51    75.00000  107.99600
   44    50    65    63.00000  111.10000
   44    50    53    90.00000  109.61100
   50    44    45    80.00000  120.40000
   50    51    52    80.00000  120.40000
   50    51    55    65.00000  115.47100
   50    65    62    63.00000  111.10000
   50    65    40    58.35000  112.70000
   50    65    68    50.00000  109.50000
   50    53    54    55.00000  108.50000
   51    55    56    60.00000  119.52600
   51    55    57    60.00000  119.52600
   55    51    52    75.00000  123.78400
   55    56    58    63.00000  120.00000
   55    56    62    60.00000  119.52600
   55    57    80    63.00000  120.00000
   55    57    60    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    64    63.00000  120.00000
   56    62    63    75.00000  123.78400
   56    62    65    65.00000  115.47100
   58    64    66    63.00000  120.00000
   58    64    80    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    70    63.00000  120.00000
   64    80    73    63.00000  120.00000
   64    80    57    63.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    71    74    60.00000  119.52600
   70    72    76    75.00000  111.00000
   71    73    80    63.00000  120.00000
   71    73    81    70.00000  120.00000
   71    74    75    75.00000  123.78400
   71    74    85    81.00000  111.40000
   73    80    57    63.00000  120.00000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   80    64    66    63.00000  120.00000
   80    57    60    70.00000  120.00000
   57    55    56    63.00000  120.00000
   57    60    61    35.00000  113.00000
   81    73    80    70.00000  120.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    71    73    60.00000  119.52600
   74    85    86    83.00000  116.90000
   85    74    75    83.00000  123.40000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   62    56    58    60.00000  119.52600
   62    65    40    63.00000  111.10000
   62    65    68    90.00000  109.61100
   65    50    51    63.00000  111.10000
   65    62    63    80.00000  120.40000
   65    40    41    50.00000  109.50000
   65    40    42    37.50000  110.70000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    45.00000  125.66300
   68    65    40    50.00000  109.50000
   53    50    51    90.00000  109.61100
   53    50    65    50.00000  109.50000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    46   0.14700  1.0 1.0
   29    33    43    46  -1.16150 -1.0 2.0
   29    33    43    46   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    50   0.60050  1.0 1.0
   33    37    44    50   0.05600 -1.0 2.0
   33    37    44    50   0.26150  1.0 3.0
   33    43    46    47   0.37050  1.0 3.0
   33    43    46    48   0.37050  1.0 3.0
   33    43    46    49   0.37050  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    46   0.06250  1.0 1.0
   37    33    43    46  -0.01100 -1.0 2.0
   37    33    43    46   0.28050  1.0 3.0
   37    44    50    51   0.65300  1.0 1.0
   37    44    50    51  -0.03850 -1.0 2.0
   37    44    50    51   0.33900  1.0 3.0
   37    44   -50    65   0.60050  1.0 1.0
   37    44   -50    65   0.05600 -1.0 2.0
   37    44   -50    65   0.26150  1.0 3.0
   37    44    50    53   0.55300  1.0 1.0
   37    44    50    53   1.25850 -1.0 2.0
   37    44    50    53  -0.23600  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    50   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    50   0.00000  1.0 1.0
   44    50    51    52   0.30150 -1.0 2.0
   44    50    51    55   0.65300  1.0 1.0
   44    50    51    55  -0.03850 -1.0 2.0
   44    50    51    55   0.33900  1.0 3.0
   44    50    65    62   0.11950  1.0 1.0
   44    50    65    62   0.20300 -1.0 2.0
   44    50    65    62  -0.70800  1.0 3.0
   44    50    65    40  -0.95700  1.0 1.0
   44    50    65    40  -0.18200 -1.0 2.0
   44    50    65    40   0.29450  1.0 3.0
   44    50    65    68  -0.09450  1.0 1.0
   44    50    65    68  -1.12950 -1.0 2.0
   44    50    65    68   0.54000  1.0 3.0
   44    50    53    54   0.91850  1.0 1.0
   44    50    53    54   0.57950  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    65   0.30150 -1.0 2.0
   45    44    50    53   0.30150 -1.0 2.0
   50    51    55    56   2.26350  1.0 1.0
   50    51    55    56   0.76750 -1.0 2.0
   50    51    55    56   0.22500  1.0 3.0
   50    51    55    57   2.26350  1.0 1.0
   50    51    55    57   0.76750 -1.0 2.0
   50    51    55    57   0.22500  1.0 3.0
   50    65   -40    33   0.56750  1.0 1.0
   50    65   -40    33  -0.07550 -1.0 2.0
   50    65   -40    33   0.20000  1.0 3.0
   50    65    40    41   0.62750  1.0 1.0
   50    65    40    41  -0.30950 -1.0 2.0
   50    65    40    41   0.27300  1.0 3.0
   50    65    40    42   0.15000  1.0 3.0
   50    65    68    69  -0.11600  1.0 1.0
   50    65    68    69  -0.09450 -1.0 2.0
   50    65    68    69   0.21250  1.0 3.0
   51    50    65    62   0.11950  1.0 1.0
   51    50    65    62   0.20300 -1.0 2.0
   51    50    65    62  -0.70800  1.0 3.0
   51    50    65    40  -0.95700  1.0 1.0
   51    50    65    40  -0.18200 -1.0 2.0
   51    50    65    40   0.29450  1.0 3.0
   51    50    65    68  -0.09450  1.0 1.0
   51    50    65    68  -1.12950 -1.0 2.0
   51    50    65    68   0.54000  1.0 3.0
   51    50    53    54   0.91850  1.0 1.0
   51    50    53    54   0.57950  1.0 3.0
   51    55    56    58   3.62500 -1.0 2.0
   51    55   -56    62   3.62500 -1.0 2.0
   51    55    57    80   3.62500 -1.0 2.0
   51    55    57    60   3.62500 -1.0 2.0
   52    51    55    56   1.05000 -1.0 2.0
   52    51    55    57   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    64   3.62500 -1.0 2.0
   55    56    62    63   1.05000 -1.0 2.0
   55    56    62    65   2.26350  1.0 1.0
   55    56    62    65   0.76750 -1.0 2.0
   55    56    62    65   0.22500  1.0 3.0
   55    57    60    61   0.84100 -1.0 2.0
   56    55    57    80   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   56    58    64    66   3.62500 -1.0 2.0
   56    58   -64    80   3.62500 -1.0 2.0
   56    62   -65    50   0.05850 -1.0 2.0
   56    62   -65    50   0.17250  1.0 3.0
   56    62    65    40   0.05850 -1.0 2.0
   56    62    65    40   0.17250  1.0 3.0
   56    62    65    68   0.65300  1.0 1.0
   56    62    65    68  -0.03850 -1.0 2.0
   56    62    65    68   0.33900  1.0 3.0
   58    56    62    63   1.05000 -1.0 2.0
   58    56    62    65   2.26350  1.0 1.0
   58    56    62    65   0.76750 -1.0 2.0
   58    56    62    65   0.22500  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    70   3.62500 -1.0 2.0
   58    64    80    73   3.62500 -1.0 2.0
   58    64    80    57   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   59    58    64    80   3.62500 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    80   -57    55   3.62500 -1.0 2.0
   64    80    57    60   3.62500 -1.0 2.0
   66    64    80    73   3.62500 -1.0 2.0
   66    64    80    57   3.62500 -1.0 2.0
   66    70   -71    73   3.62500 -1.0 2.0
   66    70    71    74   3.62500 -1.0 2.0
   66    70    72    76   1.63200 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    73    80   3.62500 -1.0 2.0
   70    71    73    81   3.62500 -1.0 2.0
   70    71    74    75   1.05000 -1.0 2.0
   70    71    74    85   0.98750 -1.0 2.0
   70    72    76    77   0.08050  1.0 3.0
   70    72    76    78   0.08050  1.0 3.0
   70    72    76    79   0.08050  1.0 3.0
   71    70    72    76   1.63200 -1.0 2.0
   71    73   -80    64   3.62500 -1.0 2.0
   71    73    80    57   3.62500 -1.0 2.0
   71    73    81    82   0.00000  1.0 1.0
   71    73    81    83   0.00000  1.0 1.0
   71    73    81    84   0.00000  1.0 1.0
   71    74    85    86   0.59950  1.0 1.0
   71    74    85    86   3.24850 -1.0 2.0
   73    71    74    75   1.05000 -1.0 2.0
   73    71    74    85   0.98750 -1.0 2.0
   73    80    57    55   3.62500 -1.0 2.0
   73    80    57    60   3.62500 -1.0 2.0
   80    64    66    67   3.62500 -1.0 2.0
   80    64   -66    70   3.62500 -1.0 2.0
   80    73    81    82   0.00000  1.0 1.0
   80    73    81    83   0.00000  1.0 1.0
   80    73    81    84   0.00000  1.0 1.0
   80    57    60    61   0.84100 -1.0 2.0
   57    55   -56    58   3.62500 -1.0 2.0
   57    55    56    62   3.62500 -1.0 2.0
   81    73    80    64   3.62500 -1.0 2.0
   81    73    80    57   3.62500 -1.0 2.0
   74    71    73    80   3.62500 -1.0 2.0
   74    71    73    81   3.62500 -1.0 2.0
   74    85    86    87   0.08050  1.0 3.0
   74    85    86    88   0.08050  1.0 3.0
   74    85    86    89   0.08050  1.0 3.0
   75    74    85    86   3.00000 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   62    56    58    59   3.62500 -1.0 2.0
   62    56    58    64   3.62500 -1.0 2.0
   62    65    40    33  -0.95700  1.0 1.0
   62    65    40    33  -0.18200 -1.0 2.0
   62    65    40    33   0.29450  1.0 3.0
   62    65    40    41  -0.09450  1.0 1.0
   62    65    40    41  -1.12950 -1.0 2.0
   62    65    40    41   0.54000  1.0 3.0
   62    65    40    42  -0.11250  1.0 3.0
   62    65    68    69   0.91850  1.0 1.0
   62    65    68    69   0.57950  1.0 3.0
   63    62    65    50   0.30150 -1.0 2.0
   63    62    65    40   0.30150 -1.0 2.0
   63    62    65    68   0.30150 -1.0 2.0
   65    50    51    52   0.30150 -1.0 2.0
   65    50   -51    55   0.05850 -1.0 2.0
   65    50   -51    55   0.17250  1.0 3.0
   65    50    53    54  -0.11600  1.0 1.0
   65    50    53    54  -0.09450 -1.0 2.0
   65    50    53    54   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    44  -0.95700  1.0 1.0
   40    33   -37    44  -0.18200 -1.0 2.0
   40    33   -37    44   0.29450  1.0 3.0
   40    33    43    46   0.06250  1.0 1.0
   40    33    43    46  -0.01100 -1.0 2.0
   40    33    43    46   0.28050  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   3.69350  1.0 1.0
   68    65    40    41  -1.82950 -1.0 2.0
   68    65    40    42   0.23400  1.0 3.0
   53    50    51    52   0.30150 -1.0 2.0
   53    50    51    55   0.65300  1.0 1.0
   53    50    51    55  -0.03850 -1.0 2.0
   53    50    51    55   0.33900  1.0 3.0
   53    50    65    62  -0.09450  1.0 1.0
   53    50    65    62  -1.12950 -1.0 2.0
   53    50    65    62   0.54000  1.0 3.0
   53    50    65    40   0.86500  1.0 1.0
   53    50    65    40  -0.17500 -1.0 2.0
   53    50    65    40   0.20800  1.0 3.0
   53    50    65    68   3.75450  1.0 1.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    65   0.62750  1.0 1.0
   43    33    40    65  -0.30950 -1.0 2.0
   43    33    40    65   0.27300  1.0 3.0
   43    33    40    41   1.11900  1.0 1.0
   43    33    40    41  -1.16350 -1.0 2.0
   43    33    40    41  -0.34150  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    50    44    45  10.50000 -1.0 2.0
   50    55    51    52  10.50000 -1.0 2.0
   56    57    55    51   4.00000 -1.0 2.0
   58    62    56    55   4.00000 -1.0 2.0
   64    59    58    56   1.10000 -1.0 2.0
   66    80    64    58   4.00000 -1.0 2.0
   70    67    66    64   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   73    74    71    70   4.00000 -1.0 2.0
   80    81    73    71   4.00000 -1.0 2.0
   73    57    80    64   4.00000 -1.0 2.0
   80    60    57    55   4.00000 -1.0 2.0
   71    85    74    75  10.50000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
END
