* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    170    251     489
    1     0 S   NP   _N1_     1    29.19244    94.69390   -18.80804
    2     1 S   H    _HN1     2     1.02964   100.80206    33.20749
    3     1 S   H    _H1_     3     1.02844    39.34861   137.05243
    4     1 S   H    _H2_     4     1.02785    73.42616   -72.82870
    5     1 S   CT   _CA1     5     1.50091   143.47385  -177.92595
    6     5 S   HC   _HA1     6     1.09572   105.32214    30.65775
    7     5 S   CO3  _C1_     7     1.53845   112.15694   -89.64399
    8     7 S   O2Z  _O11     8     1.26338   115.07469   -49.60761
    9     7 S   O2Z  _O12     9     1.26238   114.89982   129.64107
   10     5 S   CT   _CB1    10     1.53076   107.41014   148.51552
   11    10 S   HC   HB11    11     1.09817   109.53760   -51.05184
   12    10 S   HC   HB12    12     1.09798   110.31460    65.45654
   13    10 S   CT   _CG1    13     1.53007   112.64214  -172.21560
   14    13 S   HC   HG11    14     1.09492   110.25472   -57.11696
   15    13 S   HC   HG12    15     1.09598   110.30495    62.06872
   16    13 S   C    _CD1    16     1.51730   111.90719  -177.62323
   17    16 S   O    _OE1    17     1.22751   123.01475   -16.88545
   18    16 S   N    _N2_    18     1.38605   111.84129   163.56882
   19    18 S   H    _HN2    19     1.01579   119.17126     2.03557
   20    18 S   CT1  _CA2    20     1.46301   123.27266  -175.49998
   21    20 S   HC   _HA2    21     1.09730   109.31219   -15.52174
   22    20 S   C    _C2_    22     1.53337   108.46316  -131.42290
   23    22 S   O    _O2_    23     1.23003   122.29944  -146.18601
   24    20 S   CT   _CB2    32     1.53531   111.17458   106.34350
   25    24 S   HC   HB21    33     1.09520   109.43197    58.30525
   26    24 S   HC   HB22    34     1.09510   110.65694   176.51659
   27    22 S   N    _N3_    24     1.38530   113.30766    41.21271
   28    27 S   H    _HN3    25     1.01532   118.87993    -0.56093
   29    24 S   S    _SG2    35     1.82988   111.27759   -64.16785
   30    27 S   CT   _CA3    26     1.45447   123.44408   175.09651
   31    30 S   HC   HA31    27     1.09524   109.22048    24.57667
   32    30 S   HC   HA32    28     1.09495   107.12099   141.58119
   33    29 S   CT   _C24    36     1.86418   100.47717   139.08044
   34    33 S   HC   _H4_    37     1.08613   104.34227   -31.65308
   35    30 S   CO3  _C3_    29     1.52929   113.14718   -98.88940
   36    35 S   O2Z  _O31    30     1.26402   115.42513   -43.88035
   37    35 S   O2Z  _O32    31     1.26359   114.97061   137.07107
   38    33 S   CM   _C23    38     1.51931   106.28777    83.00812
   39    38 S   CMA  _C22    39     1.35162   121.90478    91.22669
   40    39 S   OM   _O37    40     1.26045   132.07700  -177.03932
   41    38 S   OS   _O36    86     1.38741   116.34411   -84.76305
   42    39 S   CM   _C21    41     1.46072   116.79210     2.59902
   43    42 S   HC   _H26    42     1.08962   118.19622  -165.36606
   44    41 S   CT   _C25    87     1.42511   110.74291   -84.28842
   45    44 S   HC   _H27    88     1.09394   107.89516  -172.02595
   46    44 S   HC   _H28    89     1.09333   110.83338    70.02998
   47    44 S   HC   _H29    90     1.09556   111.64060   -53.37233
   48    42 S   CM   _C20    43     1.34997   122.75954    18.91181
   49    48 S   CT   _C19    44     1.50723   121.45540   172.35946
   50    49 S   HC   _H3_    45     1.09964   108.60129     4.39850
   51    33 S   CT   _C7_    59     1.60196   115.04424  -151.87749
   52    49 S   CT   _C18    46     1.54267   109.88406  -110.75035
   53    52 S   HC   _H24    47     1.09847   111.88968   -95.68927
   54    52 S   HC   _H25    48     1.09880   107.70502   148.97029
   55    51 S   CT   _C6_    60     1.56678   112.92299    41.56459
   56    55 S   HC   _H10    61     1.09916   110.48130   141.71505
   57    55 S   HC   _H11    62     1.09662   110.77342    26.12003
   58    49 S   NT   _N4_    66     1.47248   114.73857   127.39261
   59    52 S   CT   _C17    49     1.53281   113.36774    28.45745
   60    59 S   HC   _H22    50     1.09871   105.69580   158.00748
   61    59 S   HC   _H23    51     1.09591   112.53114    43.36374
   62    55 S   CT   _C5_    63     1.53686   114.23855   -97.75911
   63    62 S   HC   _H8_    64     1.09465   109.83941    65.95516
   64    62 S   HC   _H9_    65     1.09683   108.40611  -178.31344
   65    58 S   CT   _C4_    67     1.46150   112.23423  -109.28906
   66    65 S   HC   _H5_    68     1.09572   110.55336   -59.18396
   67    65 S   HC   _H6_    69     1.09580   110.65926  -176.95072
   68    65 S   HC   _H7_    70     1.09596   112.05452    61.90751
   69    59 S   CA   _C9_    52     1.52431   113.95626   -82.97509
   70    69 S   CA   _C10    53     1.41860   114.41615  -138.42554
   71    70 S   HA   _H12    54     1.08749   117.92331    -4.76954
   72    70 S   CA   _C11    55     1.39178   122.15402   174.08865
   73    72 S   CA   _C12    56     1.39223   118.13874    -2.12504
   74    72 S   OS   _O35    81     1.36962   125.44724   179.50465
   75    73 S   CA   _C13    57     1.40720   120.78664     0.60620
   76    73 S   OS   _O34    76     1.37532   118.13683  -176.74490
   77    74 S   CT   _C16    82     1.42216   117.23605    -4.34451
   78    77 S   HC   _H19    83     1.09429   107.73958  -177.23622
   79    77 S   HC   _H20    84     1.09487   111.04083    65.11474
   80    77 S   HC   _H21    85     1.09507   111.25166   -59.44935
   81    69 S   CA   _C8_    58     1.42501   125.63348    39.49760
   82    75 S   OS   _O33    71     1.37650   118.81915  -173.26026
   83    76 S   CT   _C15    77     1.42769   110.54584  -103.40301
   84    83 S   HC   _H16    78     1.09409   107.75073   167.16098
   85    83 S   HC   _H17    79     1.09605   111.81540    48.66402
   86    83 S   HC   _H18    80     1.09432   110.87031   -75.00179
   87    82 S   CT   _C14    72     1.42940   111.73023    70.29545
   88    87 S   HC   _H13    73     1.09317   107.51645   157.76153
   89    87 S   HC   _H14    74     1.09582   112.33133    38.96714
   90    87 S   HC   _H15    75     1.09363   110.77201   -84.92782
  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
  17   7   2   1   1  13   8   4   6   9   3   3   2   1   1  16
  19   8  15  11   6   5  10   6   5   8   8   4   3   7   2   1
   3   2   1   1   8   8   4  11  11   6   8   6   3   2   1   1
   2   4   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    81    51    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    48    49    69    75    81    51    55    56    57    62    41    44  
   38    39    48    81    51    55    41  
   36    37  
   37  
    0  
   39    40    42    43    48    81    51    55    41    44    45    46    47  
   40    42    43    48    49    51    41    44  
   42    43    48    41  
   44    45    46    47    42    51  
   43    48    49    50    52    81    51    55    58  
   48    49    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    52    53    54    59    69    75    81    51    55    56    57    62    58    65  
   50    52    53    54    59    60    61    69    81    51    55    62    63    64    58    65    66    67    68  
   52    53    54    59    51    62    58    65  
   55    56    57    62    63    64    58    82    52    59    69    70    73    75    81  
   53    54    59    60    61    69    70    81    62    58    65  
   54    59    60    61    69    58  
   59    60    61    69    58  
   56    57    62    63    64    58    65    69    75    81  
   57    62    63    64    58    81  
   62    63    64    58    81  
   65    66    67    68    59    62    63    64  
   60    61    69    70    71    72    75    81  
   61    69    70    81  
   69    70    81  
   63    64    65    66    67    68    81  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    75    81    82    74  
   71    72    73    75    81    76    74    77  
   72    73    81    74  
   73    75    81    82    76    83    74    77    78    79    80  
   75    81    82    87    76    83    84    85    86    74    77  
   77    78    79    80    75    76  
   81    82    87    88    89    90    76    83  
   83    84    85    86    81    82  
   78    79    80  
   79    80  
   80  
    0  
   82    87  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660  -0.005000   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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
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    51   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   465.000  1.376
   42    43   340.000  1.080
   42    48   549.000  1.340
   48    49   317.000  1.510
   48    51   317.000  1.510
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    58   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    69   317.000  1.510
   69    70   469.000  1.400
   69    81   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   469.000  1.400
   73    76   450.000  1.364
   75    81   469.000  1.400
   75    82   450.000  1.364
   81    51   317.000  1.510
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    58   382.000  1.448
   58    65   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   82    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   76    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   74    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    51    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    51    48    70.00000  112.02700
   33    51    81    70.00000  112.17500
   33    51    55    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    70.00000  123.01800
   38    41    44    90.00000  111.18400
   39    42    43    40.00000  120.50800
   39    42    48    70.00000  117.34000
   42    39    40    65.00000  137.10300
   42    48    49    70.00000  124.00000
   42    48    51    70.00000  124.00000
   48    42    43    35.00000  120.00000
   48    49    50    35.00000  109.50000
   48    49    52    70.00000  112.02700
   48    49    58    75.00000  110.70900
   48    51    81    70.00000  112.99600
   48    51    55    70.00000  112.02700
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    59    58.35000  112.70000
   49    58    62    51.80000  107.20000
   49    58    65    51.80000  107.20000
   52    49    50    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    69    70.00000  112.17500
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    69    70    70.00000  120.00000
   59    69    81    70.00000  120.00000
   61    59    60    33.00000  107.80000
   69    59    60    35.00000  109.50000
   69    59    61    35.00000  109.50000
   69    70    71    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    81    75    63.00000  120.00000
   69    81    51    70.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    73    76    70.00000  120.00000
   72    74    77    75.00000  111.00000
   73    75    81    63.00000  120.00000
   73    75    82    70.00000  120.00000
   73    76    83    75.00000  111.00000
   75    81    51    70.00000  120.00000
   75    82    87    75.00000  111.00000
   81    69    70    63.00000  120.00000
   81    51    55    70.00000  112.17500
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    48    49    65.00000  117.92700
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    58    56.20000  109.47000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    58    65    51.80000  107.20000
   64    62    63    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    52    56.20000  109.47000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   82    75    81    70.00000  120.00000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    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
   76    73    75    70.00000  120.00000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   74    72    73    70.00000  120.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    81   0.56750  1.0 1.0
   29    33    51    81  -0.07550 -1.0 2.0
   29    33    51    81   0.20000  1.0 3.0
   29    33    51    55   0.44750  1.0 1.0
   29    33    51    55  -0.17800 -1.0 2.0
   29    33    51    55   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    44   2.00000 -1.0 2.0
   33    51    55    56   0.15000  1.0 3.0
   33    51    55    57   0.15000  1.0 3.0
   33    51    55    62   0.56750  1.0 1.0
   33    51    55    62  -0.07550 -1.0 2.0
   33    51    55    62   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    81   0.43200  1.0 3.0
   34    33    51    55   0.15000  1.0 3.0
   38    33    51    48   0.31000  1.0 1.0
   38    33    51    48   0.14700 -1.0 2.0
   38    33    51    48   0.07550  1.0 3.0
   38    33    51    81   0.21200  1.0 1.0
   38    33    51    81   0.16900 -1.0 2.0
   38    33    51    81  -1.15100  1.0 3.0
   38    33    51    55   0.34400  1.0 1.0
   38    33    51    55   0.09450 -1.0 2.0
   38    33    51    55   0.11100  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    48   7.00000 -1.0 2.0
   38    41    44    45   0.08050  1.0 3.0
   38    41    44    46   0.08050  1.0 3.0
   38    41    44    47   0.08050  1.0 3.0
   39    38    41    44  -2.26850  1.0 1.0
   39    38    41    44   3.39050 -1.0 2.0
   39    42    48    49   7.00000 -1.0 2.0
   39    42    48    51   7.00000 -1.0 2.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    48   7.00000 -1.0 2.0
   42    48    49    50   0.00000  1.0 1.0
   42    48    49    52   0.09850  1.0 1.0
   42    48    49    52   0.15250 -1.0 2.0
   42    48    49    52  -0.50650  1.0 3.0
   42    48    49    58   0.90200  1.0 1.0
   42    48    49    58   0.57900 -1.0 2.0
   42    48    49    58  -0.62100  1.0 3.0
   42    48   -51    33   0.09850  1.0 1.0
   42    48   -51    33   0.15250 -1.0 2.0
   42    48   -51    33  -0.50650  1.0 3.0
   42    48    51    81   1.44450  1.0 1.0
   42    48    51    81   0.06600 -1.0 2.0
   42    48    51    81   0.29250  1.0 3.0
   42    48    51    55   0.09850  1.0 1.0
   42    48    51    55   0.15250 -1.0 2.0
   42    48    51    55  -0.50650  1.0 3.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    51   7.00000 -1.0 2.0
   48    49    52    53   0.15000  1.0 3.0
   48    49    52    54   0.15000  1.0 3.0
   48    49    52    59   0.34400  1.0 1.0
   48    49    52    59   0.09450 -1.0 2.0
   48    49    52    59   0.11100  1.0 3.0
   48    49    58    62  -0.60800  1.0 1.0
   48    49    58    62   1.10050 -1.0 2.0
   48    49    58    62   0.47000  1.0 3.0
   48    49    58    65  -0.60800  1.0 1.0
   48    49    58    65   1.10050 -1.0 2.0
   48    49    58    65   0.47000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    62   0.34400  1.0 1.0
   48    51   -55    62   0.09450 -1.0 2.0
   48    51   -55    62   0.11100  1.0 3.0
   49    48    51    33   0.46850  1.0 1.0
   49    48    51    33   0.08550 -1.0 2.0
   49    48    51    33   0.09800  1.0 3.0
   49    48    51    81   0.09700  1.0 1.0
   49    48    51    81   0.15600 -1.0 2.0
   49    48    51    81  -0.50800  1.0 3.0
   49    48    51    55   0.46850  1.0 1.0
   49    48    51    55   0.08550 -1.0 2.0
   49    48    51    55   0.09800  1.0 3.0
   49    52    59    60   0.15000  1.0 3.0
   49    52    59    61   0.15000  1.0 3.0
   49    52    59    69  -0.03700  1.0 1.0
   49    52    59    69   0.37200 -1.0 2.0
   49    52    59    69  -0.47300  1.0 3.0
   49    58    65    66   0.28000  1.0 3.0
   49    58    65    67   0.28000  1.0 3.0
   49    58    65    68   0.28000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    59   0.15000  1.0 3.0
   50    49    58    62   0.28000  1.0 3.0
   50    49    58    65   0.28000  1.0 3.0
   52    49    58    62   0.23450  1.0 1.0
   52    49    58    62   0.02050 -1.0 2.0
   52    49    58    62   0.25250  1.0 3.0
   52    49    58    65   0.23450  1.0 1.0
   52    49    58    65   0.02050 -1.0 2.0
   52    49    58    65   0.25250  1.0 3.0
   52    59    69    70   0.04150 -1.0 2.0
   52    59    69    81   0.04150 -1.0 2.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    69   0.43200  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    69   0.43200  1.0 3.0
   59    69    70    71   3.62500 -1.0 2.0
   59    69    70    72   3.62500 -1.0 2.0
   59    69    81    75   3.62500 -1.0 2.0
   59    69    81    51   3.62500 -1.0 2.0
   60    59    69    70   0.00000  1.0 1.0
   60    59    69    81   0.00000  1.0 1.0
   61    59    69    70   0.00000  1.0 1.0
   61    59    69    81   0.00000  1.0 1.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70    72    74   3.62500 -1.0 2.0
   69    81    51    33   0.04150 -1.0 2.0
   69    81    51    48   0.18050 -1.0 2.0
   69    81    51    55   0.04150 -1.0 2.0
   70    69    81    75   3.62500 -1.0 2.0
   70    69    81    51   3.62500 -1.0 2.0
   70    72   -73    75   3.62500 -1.0 2.0
   70    72    73    76   3.62500 -1.0 2.0
   70    72    74    77   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73    75    81   3.62500 -1.0 2.0
   72    73    75    82   3.62500 -1.0 2.0
   72    73    76    83   1.63200 -1.0 2.0
   72    74    77    78   0.08050  1.0 3.0
   72    74    77    79   0.08050  1.0 3.0
   72    74    77    80   0.08050  1.0 3.0
   73    72    74    77   1.63200 -1.0 2.0
   73    75   -81    69   3.62500 -1.0 2.0
   73    75    81    51   3.62500 -1.0 2.0
   73    75    82    87   1.63200 -1.0 2.0
   73    76    83    84   0.08050  1.0 3.0
   73    76    83    85   0.08050  1.0 3.0
   73    76    83    86   0.08050  1.0 3.0
   75    73    76    83   1.63200 -1.0 2.0
   75    81    51    33   0.04150 -1.0 2.0
   75    81    51    48   0.18050 -1.0 2.0
   75    81    51    55   0.04150 -1.0 2.0
   75    82    87    88   0.08050  1.0 3.0
   75    82    87    89   0.08050  1.0 3.0
   75    82    87    90   0.08050  1.0 3.0
   81    69    70    71   3.62500 -1.0 2.0
   81    69   -70    72   3.62500 -1.0 2.0
   81    75    82    87   1.63200 -1.0 2.0
   81    51    55    56   0.43200  1.0 3.0
   81    51    55    57   0.43200  1.0 3.0
   81    51    55    62  -0.03700  1.0 1.0
   81    51    55    62   0.37200 -1.0 2.0
   81    51    55    62  -0.47300  1.0 3.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.09700  1.0 1.0
   51    33    38    41   0.15600 -1.0 2.0
   51    33    38    41  -0.50800  1.0 3.0
   51    48    49    50   0.34800  1.0 3.0
   51    48    49    52   0.46850  1.0 1.0
   51    48    49    52   0.08550 -1.0 2.0
   51    48    49    52   0.09800  1.0 3.0
   51    48    49    58   0.52100  1.0 1.0
   51    48    49    58  -0.20350 -1.0 2.0
   51    48    49    58   0.29750  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    64   0.15000  1.0 3.0
   51    55   -62    58   1.53400  1.0 1.0
   51    55   -62    58  -0.09950 -1.0 2.0
   51    55   -62    58   0.05700  1.0 3.0
   55    62   -58    49   0.23450  1.0 1.0
   55    62   -58    49   0.02050 -1.0 2.0
   55    62   -58    49   0.25250  1.0 3.0
   55    62    58    65   0.58650  1.0 1.0
   55    62    58    65   0.12600 -1.0 2.0
   55    62    58    65   0.33350  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    58   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    58   0.15000  1.0 3.0
   62    58    65    66   0.28000  1.0 3.0
   62    58    65    67   0.28000  1.0 3.0
   62    58    65    68   0.28000  1.0 3.0
   63    62    58    49   0.28000  1.0 3.0
   63    62    58    65   0.28000  1.0 3.0
   64    62    58    49   0.28000  1.0 3.0
   64    62    58    65   0.28000  1.0 3.0
   58    49    52    53   0.15000  1.0 3.0
   58    49    52    54   0.15000  1.0 3.0
   58    49    52    59   1.53400  1.0 1.0
   58    49    52    59  -0.09950 -1.0 2.0
   58    49    52    59   0.05700  1.0 3.0
   82    75    81    69   3.62500 -1.0 2.0
   82    75    81    51   3.62500 -1.0 2.0
   76    73    75    81   3.62500 -1.0 2.0
   76    73    75    82   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -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
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   39    43    42    48   1.10000 -1.0 2.0
   49    51    48    42   1.10000 -1.0 2.0
   70    81    69    59   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   75    76    73    72   4.00000 -1.0 2.0
   81    82    75    73   4.00000 -1.0 2.0
   75    51    81    69   4.00000 -1.0 2.0
END
