* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    144    217     413
    1     0 S   NP   _N1_     1    28.67831    96.81807   -23.37746
    2     1 S   H    _HN1     2     1.02949    69.44465    14.40334
    3     1 S   H    _H1_     3     1.02829    40.88808   170.26791
    4     1 S   H    _H2_     4     1.02790   105.24343   -89.87284
    5     1 S   CT   _CA1     5     1.50113   139.76321   112.10115
    6     5 S   HC   _HA1     6     1.09575   105.18906    95.74353
    7     5 S   CO3  _C1_     7     1.53776   112.42680   -24.49101
    8     7 S   O2Z  _O11     8     1.26371   115.00699   -43.72401
    9     7 S   O2Z  _O12     9     1.26237   114.93584   135.35863
   10     5 S   CT   _CB1    10     1.53074   107.41971  -146.30116
   11    10 S   HC   HB11    11     1.09837   109.35192   -49.79467
   12    10 S   HC   HB12    12     1.09812   110.47310    66.80383
   13    10 S   CT   _CG1    13     1.53006   112.60849  -170.75461
   14    13 S   HC   HG11    14     1.09578   110.66978   -66.19891
   15    13 S   HC   HG12    15     1.09670   109.75365    53.03823
   16    13 S   C    _CD1    16     1.51800   112.12713   173.50061
   17    16 S   O    _OE1    17     1.22759   123.24069     9.05059
   18    16 S   N    _N2_    18     1.38663   111.74096  -171.03560
   19    18 S   H    _HN2    19     1.01577   119.06164     1.16214
   20    18 S   CT1  _CA2    20     1.46109   123.26566   177.15023
   21    20 S   HC   _HA2    21     1.09684   109.23374     4.24529
   22    20 S   C    _C2_    22     1.53565   108.84112  -111.08697
   23    22 S   O    _O2_    23     1.23064   122.30846  -148.20700
   24    20 S   CT   _CB2    32     1.53257   111.88685   126.07276
   25    24 S   HC   HB21    33     1.09513   110.45353    58.05342
   26    24 S   HC   HB22    34     1.09503   109.37765   176.85154
   27    22 S   N    _N3_    24     1.38332   113.70880    39.27685
   28    27 S   H    _HN3    25     1.01567   119.58193    -3.23900
   29    24 S   S    _SG2    35     1.82779   111.55448   -62.96097
   30    27 S   CT   _CA3    26     1.45280   123.25344   177.06202
   31    30 S   HC   HA31    27     1.09548   107.50732   -64.90228
   32    30 S   HC   HA32    28     1.09556   107.99680    51.54979
   33    29 S   CT   _C22    36     1.85048    99.47454  -161.57962
   34    33 S   HC   _H3_    37     1.09322   108.90695    28.62549
   35    30 S   CO3  _C3_    29     1.52968   114.05073   173.57483
   36    35 S   O2Z  _O31    30     1.26383   116.07326     0.15451
   37    35 S   O2Z  _O32    31     1.26426   114.42453  -179.78694
   38    33 S   CM   _C19    38     1.51911   108.61192   -88.58109
   39    38 S   CMA  _C18    39     1.35334   123.41034  -101.42246
   40    39 S   OM   _O23    40     1.26077   131.95800   177.71621
   41    38 S   OS   _O28    79     1.39019   115.35974    75.80560
   42    39 S   CM   _C16    41     1.45976   117.06035    -2.15540
   43    42 S   HC   _H36    42     1.08961   119.03084   172.20578
   44    41 S   CT   _C25    80     1.42596   110.84237    87.73402
   45    44 S   HC   _H45    81     1.09397   107.84546   177.42299
   46    44 S   HC   _H46    82     1.09525   111.34704    59.02178
   47    44 S   HC   _H47    83     1.09467   111.25740   -64.34177
   48    42 S   CM   _C17    43     1.34231   123.23261    -9.67699
   49    48 S   HC   _H37    44     1.08539   117.57178  -177.29340
   50    33 S   CM   _C20    45     1.53778   108.16892   146.71518
   51    50 S   CM   _C21    46     1.36470   123.53937   -84.19771
   52    51 S   CA   _C10    47     1.48627   120.06163     0.73913
   53    51 S   CA   _C11    63     1.48558   120.90425  -179.25928
   54    52 S   CA   _C4_    48     1.40025   120.22663   -86.53043
   55    54 S   HA   _H30    49     1.08735   120.62921    -0.20653
   56    53 S   CA   _C5_    64     1.40023   120.02400    87.97795
   57    56 S   HA   _H31    65     1.08733   120.65006    -0.50358
   58    54 S   CA   _C6_    50     1.39322   120.06980   179.12018
   59    58 S   HA   _H32    51     1.08617   119.37102  -179.51989
   60    56 S   CA   _C7_    66     1.39308   120.04143   179.63416
   61    60 S   HA   _H33    67     1.08616   119.37356   179.87805
   62    58 S   CA   _C12    52     1.39569   119.69096     0.27695
   63    60 S   CA   _C13    68     1.39568   119.66646    -0.12511
   64    62 S   CA   _C14    53     1.40004   121.21528     0.37534
   65    62 S   OH   _O24    61     1.37043   119.76793  -179.67736
   66    65 S   HO   _H48    62     0.97200   108.82096     0.75692
   67    63 S   CA   _C15    69     1.40061   121.22856    -0.00000
   68    63 S   OH   _O25    77     1.37058   119.75050   180.00000
   69    68 S   HO   _H49    78     0.97206   108.81017     0.01978
   70    52 S   CA   _C8_    54     1.40542   120.05990    93.73542
   71    70 S   HA   _H34    55     1.08648   118.41115     0.24147
   72    64 S   OS   _O26    56     1.37043   116.15642  -179.90935
   73    53 S   CA   _C9_    70     1.40521   120.12179   -92.61674
   74    73 S   HA   _H35    71     1.08638   118.40636     0.65700
   75    67 S   OS   _O27    72     1.37064   116.09278  -179.98022
   76    72 S   CT   _C23    57     1.42253   117.16595  -179.68721
   77    76 S   HC   _H39    58     1.09424   107.74505  -179.79158
   78    76 S   HC   _H40    59     1.09501   111.09004    62.47049
   79    76 S   HC   _H41    60     1.09460   111.26132   -62.02491
   80    75 S   CT   _C24    73     1.42237   117.12712   179.83098
   81    80 S   HC   _H42    74     1.09428   107.74460  -179.83687
   82    80 S   HC   _H43    75     1.09500   111.13469    62.44140
   83    80 S   HC   _H44    76     1.09503   111.15287   -62.10362
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   8   4   6   5   3   3   2   1   1   5
   2   7  14  12  11   8   4   8   4   7   3   7   3   7   7   9
   3   1   9   3   1   3   1   4   3   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    50    51    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    48    49    50    51    52    53    41    44  
   38    39    48    50    51    41  
   36    37  
   37  
    0  
   39    40    42    43    48    50    51    41    44    45    46    47  
   40    42    43    48    49    50    41    44  
   42    43    48    41  
   44    45    46    47    42    50  
   43    48    49    50    51  
   48    49    50  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    53  
   50    51  
   51    52    54    70    53    56    73  
   52    54    55    58    64    70    71    53    56    57    60    67    73    74  
   54    55    58    59    62    64    70    71    72    53    56    73  
   56    57    60    61    63    67    73    74    75    54    70  
   55    58    59    62    64    70    71    65  
   58    59    62    70  
   57    60    61    63    67    73    74    68  
   60    61    63    73  
   59    62    64    70    72    65    66  
   62    64    65  
   61    63    67    73    75    68    69  
   63    67    68  
   64    70    71    72    76    65    66  
   67    73    74    75    80    68    69  
   70    71    72    76    77    78    79    65    66  
   66    70    72  
    0  
   73    74    75    80    81    82    83    68    69  
   69    73    75  
    0  
   71    72    76  
   72  
   76    77    78    79  
   74    75    80  
   75  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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    50   317.000  1.510
   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   340.000  1.080
   48    50   380.000  1.444
   50    51   549.000  1.340
   51    52   320.000  1.460
   51    53   320.000  1.460
   52    54   469.000  1.400
   52    70   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    64   469.000  1.400
   62    65   450.000  1.364
   64    70   469.000  1.400
   64    72   450.000  1.364
   70    71   367.000  1.080
   72    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   65    66   553.000  0.945
   53    56   469.000  1.400
   53    73   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    67   469.000  1.400
   63    68   450.000  1.364
   67    73   469.000  1.400
   67    75   450.000  1.364
   73    74   367.000  1.080
   75    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   68    69   553.000  0.945
   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    50    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    50    48    70.00000  124.00000
   33    50    51    70.00000  124.00000
   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    35.00000  120.00000
   42    48    50    70.00000  123.01800
   48    42    43    35.00000  120.00000
   48    50    51    70.00000  123.01800
   50    33    34    35.00000  109.50000
   50    33    38    70.00000  110.12100
   50    48    49    35.00000  120.00000
   50    51    52    60.00000  123.20500
   50    51    53    60.00000  123.20500
   51    52    54    60.00000  120.93500
   51    52    70    60.00000  120.93500
   51    53    56    60.00000  120.93500
   51    53    73    60.00000  120.93500
   52    54    55    35.00000  120.00000
   52    54    58    63.00000  120.00000
   52    70    64    63.00000  120.00000
   52    70    71    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    62    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    62    64    63.00000  120.00000
   58    62    65    70.00000  120.00000
   62    58    59    35.00000  120.00000
   62    64    70    63.00000  120.00000
   62    64    72    70.00000  120.00000
   62    65    66    35.00000  113.00000
   64    70    71    35.00000  120.00000
   64    72    76    75.00000  111.00000
   70    52    54    63.00000  120.00000
   72    64    70    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
   65    62    64    70.00000  120.00000
   53    51    52    60.00000  122.92000
   53    56    57    35.00000  120.00000
   53    56    60    63.00000  120.00000
   53    73    67    63.00000  120.00000
   53    73    74    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    63    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    63    67    63.00000  120.00000
   60    63    68    70.00000  120.00000
   63    60    61    35.00000  120.00000
   63    67    73    63.00000  120.00000
   63    67    75    70.00000  120.00000
   63    68    69    35.00000  113.00000
   67    73    74    35.00000  120.00000
   67    75    80    75.00000  111.00000
   73    53    56    63.00000  120.00000
   75    67    73    70.00000  120.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   68    63    67    70.00000  120.00000
   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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    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    50    48   0.42700  1.0 1.0
   29    33    50    48  -0.70350 -1.0 2.0
   29    33    50    48  -0.43150  1.0 3.0
   29    33    50    51   0.42700  1.0 1.0
   29    33    50    51  -0.70350 -1.0 2.0
   29    33    50    51  -0.43150  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    50    51    52   7.00000 -1.0 2.0
   33    50    51    53   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    50    48   0.00000  1.0 1.0
   34    33    50    51   0.00000  1.0 1.0
   38    33    50    48  -0.28300  1.0 1.0
   38    33    50    48   0.26700 -1.0 2.0
   38    33    50    48  -0.63300  1.0 3.0
   38    33    50    51  -0.28300  1.0 1.0
   38    33    50    51   0.26700 -1.0 2.0
   38    33    50    51  -0.63300  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    50   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   -50    33  -0.18600  1.0 3.0
   42    48    50    51   0.28850  1.0 1.0
   42    48    50    51   2.61350 -1.0 2.0
   42    48    50    51   0.78400  1.0 3.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    50   7.00000 -1.0 2.0
   48    50    51    52   7.00000 -1.0 2.0
   48    50    51    53   7.00000 -1.0 2.0
   49    48    50    33   0.00000  1.0 1.0
   49    48    50    51  -0.18600  1.0 3.0
   50    33   -38    39  -0.28300  1.0 1.0
   50    33   -38    39   0.26700 -1.0 2.0
   50    33   -38    39  -0.63300  1.0 3.0
   50    33    38    41   0.09700  1.0 1.0
   50    33    38    41   0.15600 -1.0 2.0
   50    33    38    41  -0.50800  1.0 3.0
   50    51    52    54   0.15800  1.0 1.0
   50    51    52    54   1.85350 -1.0 2.0
   50    51    52    54  -0.48700  1.0 3.0
   50    51    52    70   0.15800  1.0 1.0
   50    51    52    70   1.85350 -1.0 2.0
   50    51    52    70  -0.48700  1.0 3.0
   50    51    53    56   0.15800  1.0 1.0
   50    51    53    56   1.85350 -1.0 2.0
   50    51    53    56  -0.48700  1.0 3.0
   50    51    53    73   0.15800  1.0 1.0
   50    51    53    73   1.85350 -1.0 2.0
   50    51    53    73  -0.48700  1.0 3.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    58   3.62500 -1.0 2.0
   51    52    70    64   3.62500 -1.0 2.0
   51    52    70    71   3.62500 -1.0 2.0
   51    53    56    57   3.62500 -1.0 2.0
   51    53    56    60   3.62500 -1.0 2.0
   51    53    73    67   3.62500 -1.0 2.0
   51    53    73    74   3.62500 -1.0 2.0
   52    51    53    56  -0.01750  1.0 1.0
   52    51    53    56  -0.32000 -1.0 2.0
   52    51    53    56   0.00600  1.0 3.0
   52    51    53    73  -0.01750  1.0 1.0
   52    51    53    73  -0.32000 -1.0 2.0
   52    51    53    73   0.00600  1.0 3.0
   52    54    58    59   3.62500 -1.0 2.0
   52    54    58    62   3.62500 -1.0 2.0
   54    52    70    64   3.62500 -1.0 2.0
   54    52    70    71   3.62500 -1.0 2.0
   54    58   -62    64   3.62500 -1.0 2.0
   54    58    62    65   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    62   3.62500 -1.0 2.0
   58    62    64    70   3.62500 -1.0 2.0
   58    62    64    72   3.62500 -1.0 2.0
   58    62    65    66   0.84100 -1.0 2.0
   59    58    62    64   3.62500 -1.0 2.0
   59    58    62    65   3.62500 -1.0 2.0
   62    64   -70    52   3.62500 -1.0 2.0
   62    64    70    71   3.62500 -1.0 2.0
   62    64    72    76   1.63200 -1.0 2.0
   64    62    65    66   0.84100 -1.0 2.0
   64    72    76    77   0.08050  1.0 3.0
   64    72    76    78   0.08050  1.0 3.0
   64    72    76    79   0.08050  1.0 3.0
   70    52    54    55   3.62500 -1.0 2.0
   70    52   -54    58   3.62500 -1.0 2.0
   70    64    72    76   1.63200 -1.0 2.0
   72    64    70    52   3.62500 -1.0 2.0
   72    64    70    71   3.62500 -1.0 2.0
   65    62    64    70   3.62500 -1.0 2.0
   65    62    64    72   3.62500 -1.0 2.0
   53    51    52    54  -0.01750  1.0 1.0
   53    51    52    54  -0.32000 -1.0 2.0
   53    51    52    54   0.00600  1.0 3.0
   53    51    52    70  -0.01750  1.0 1.0
   53    51    52    70  -0.32000 -1.0 2.0
   53    51    52    70   0.00600  1.0 3.0
   53    56    60    61   3.62500 -1.0 2.0
   53    56    60    63   3.62500 -1.0 2.0
   56    53    73    67   3.62500 -1.0 2.0
   56    53    73    74   3.62500 -1.0 2.0
   56    60   -63    67   3.62500 -1.0 2.0
   56    60    63    68   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    63   3.62500 -1.0 2.0
   60    63    67    73   3.62500 -1.0 2.0
   60    63    67    75   3.62500 -1.0 2.0
   60    63    68    69   0.84100 -1.0 2.0
   61    60    63    67   3.62500 -1.0 2.0
   61    60    63    68   3.62500 -1.0 2.0
   63    67   -73    53   3.62500 -1.0 2.0
   63    67    73    74   3.62500 -1.0 2.0
   63    67    75    80   1.63200 -1.0 2.0
   67    63    68    69   0.84100 -1.0 2.0
   67    75    80    81   0.08050  1.0 3.0
   67    75    80    82   0.08050  1.0 3.0
   67    75    80    83   0.08050  1.0 3.0
   73    53    56    57   3.62500 -1.0 2.0
   73    53   -56    60   3.62500 -1.0 2.0
   73    67    75    80   1.63200 -1.0 2.0
   75    67    73    53   3.62500 -1.0 2.0
   75    67    73    74   3.62500 -1.0 2.0
   68    63    67    73   3.62500 -1.0 2.0
   68    63    67    75   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
    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    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
   50    49    48    42   1.10000 -1.0 2.0
   33    48    50    51   1.10000 -1.0 2.0
   52    53    51    50   1.10000 -1.0 2.0
   54    70    52    51   4.00000 -1.0 2.0
   58    55    54    52   1.10000 -1.0 2.0
   62    59    58    54   1.10000 -1.0 2.0
   64    65    62    58   4.00000 -1.0 2.0
   70    72    64    62   4.00000 -1.0 2.0
   64    71    70    52   1.10000 -1.0 2.0
   56    73    53    51   4.00000 -1.0 2.0
   60    57    56    53   1.10000 -1.0 2.0
   63    61    60    56   1.10000 -1.0 2.0
   67    68    63    60   4.00000 -1.0 2.0
   73    75    67    63   4.00000 -1.0 2.0
   67    74    73    53   1.10000 -1.0 2.0
END
