* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    226     430
    1     0 S   NP   _N1_     1    31.01535    94.03769   -15.82691
    2     1 S   H    _HN1     2     1.02902    98.68361     1.53136
    3     1 S   H    _H1_     3     1.02940   136.08110   127.49070
    4     1 S   H    _H2_     4     1.03112    30.95790   109.66160
    5     1 S   CT   _CA1     5     1.49829    89.06546  -111.26829
    6     5 S   HC   _HA1     6     1.09655   105.12874    39.86523
    7     5 S   CO3  _C1_     7     1.54175   111.23904   -77.90857
    8     7 S   O2Z  _O11     8     1.26195   116.11945   -93.89842
    9     7 S   O2Z  _O12     9     1.26416   114.23199    84.74837
   10     5 S   CT   _CB1    10     1.52939   106.71302   155.94953
   11    10 S   HC   HB11    11     1.09890   109.62610   -51.61385
   12    10 S   HC   HB12    12     1.09693   110.03888    64.16783
   13    10 S   CT   _CG1    13     1.53124   112.83039  -172.53741
   14    13 S   HC   HG11    14     1.09514   111.74452   -59.66069
   15    13 S   HC   HG12    15     1.09582   110.55248    59.85007
   16    13 S   C    _CD1    16     1.51351   109.83072   179.55898
   17    16 S   O    _OE1    17     1.22801   121.81527  -103.09017
   18    16 S   N    _N2_    18     1.38478   112.59290    74.93027
   19    18 S   H    _HN2    19     1.01624   118.99918     5.58581
   20    18 S   CT1  _CA2    20     1.46161   123.31292  -171.75307
   21    20 S   HC   _HA2    21     1.09723   109.31856   -12.80810
   22    20 S   C    _C2_    22     1.53223   108.69214  -128.90528
   23    22 S   O    _O2_    23     1.23037   122.36999  -146.64599
   24    20 S   CT   _CB2    32     1.53558   111.06324   108.82973
   25    24 S   HC   HB21    33     1.09574   109.70363    58.73885
   26    24 S   HC   HB22    34     1.09510   110.62749   177.62653
   27    22 S   N    _N3_    24     1.38380   113.48338    40.90241
   28    27 S   H    _HN3    25     1.01671   119.55911    -4.08562
   29    24 S   S    _SG2    35     1.82579   111.58279   -62.15675
   30    27 S   CT   _CA3    26     1.45304   122.88175   176.75412
   31    30 S   HC   HA31    27     1.09561   107.64887   -60.05183
   32    30 S   HC   HA32    28     1.09564   107.75578    56.26387
   33    29 S   CT   _C20    36     1.82051    99.18292   165.31125
   34    33 S   HC   _H15    37     1.08959   109.93634   -49.27308
   35    33 S   HC   _H16    38     1.09465   107.63586    66.37442
   36    30 S   CO3  _C3_    29     1.52883   114.33602   178.18124
   37    36 S   O2Z  _O31    30     1.26328   116.09693     0.01978
   38    36 S   O2Z  _O32    31     1.26446   114.38461  -179.97202
   39    33 S   CM   _C18    39     1.50433   109.81493  -171.66094
   40    39 S   CMA  _C19    40     1.35012   125.53438  -107.22682
   41    40 S   OM   _O38    41     1.26312   128.08408    -3.72347
   42    40 S   OS   _O37    42     1.41154   109.93333   175.47740
   43    42 S   CT   _C16    43     1.43974   107.37712   -11.42613
   44    43 S   HC   _H4_    44     1.09272   104.54713   139.71021
   45    43 S   CT   _C15    45     1.55003   108.74439  -102.74782
   46    45 S   HC   _H13    46     1.09810   109.45195   -43.89692
   47    45 S   HC   _H14    47     1.09860   108.08498    69.76089
   48    39 S   CT   _C17    59     1.51357   122.36807    69.90427
   49    48 S   HC   _H5_    60     1.09478   108.06480   -47.20418
   50    45 S   CT   _C14    48     1.54478   114.51960  -167.90356
   51    50 S   CO4  _C13    49     1.50947   111.41333    81.62096
   52    51 S   O    _O35    50     1.22069   126.38484    78.38158
   53    50 S   CT   _C21    77     1.52078   112.81346  -152.55656
   54    53 S   HC   _H17    78     1.09568   110.75093    63.45390
   55    53 S   HC   _H18    79     1.09484   111.55208   -57.83706
   56    53 S   HC   _H19    80     1.09626   111.01038  -178.36386
   57    51 S   CM   _C12    51     1.45675   110.03224   -98.70396
   58    57 S   HC   _H12    52     1.07373   126.92282   163.45950
   59    57 S   CM   _C11    53     1.33280   101.18658    -7.00801
   60    59 S   CM   _C10    54     1.44778   125.99441   166.90866
   61    50 S   OS   _O36    76     1.43856   110.42056   -29.88789
   62    60 S   CM   _C9_    55     1.35435   123.82102  -121.89137
   63    62 S   HC   _H11    56     1.09412   113.78682   175.77738
   64    60 S   CT   _C22    72     1.54356   116.25975    52.92547
   65    64 S   OM   _O39    73     1.32523   106.99504    78.88613
   66    64 S   HC   _H20    74     1.10190   106.39792   -49.00915
   67    64 S   HC   _H21    75     1.10293   106.67581  -154.30558
   68    62 S   CT   _C8_    57     1.52748   136.64369    -4.06274
   69    68 S   HC   _H3_    58     1.09821   107.05471   116.95608
   70    68 S   OS   _O34    61     1.46034   103.40032  -127.36558
   71    70 S   CO4  _C7_    62     1.36104   118.44130   -94.24125
   72    71 S   O    _O33    63     1.22208   126.30799    -1.89672
   73    71 S   CM   _C5_    64     1.48903   109.31791   177.71450
   74    73 S   CM   _C6_    65     1.34111   117.40724   166.34843
   75    74 S   HC   _H9_    66     1.08547   120.93938   179.39155
   76    74 S   HC   _H10    67     1.08539   122.39370    -0.83743
   77    73 S   CT   _C4_    68     1.49676   119.90422   -14.88015
   78    77 S   HC   _H6_    69     1.09479   110.34782   -54.50487
   79    77 S   HC   _H7_    70     1.09386   110.64409    65.88431
   80    77 S   HC   _H8_    71     1.09520   111.95886  -174.16444
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  15   6   5   9
   4  11  10   5   6   3   2   1   6   3   9  10   2   9   4   4
   2   1   1   5   2   5   9   3   7   6   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    68    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    62    68    69    48    49    70  
   41    42    43    44    45    68    48    49  
   42    43    48  
   43    44    45    46    47    50    68    48    49  
   44    45    46    47    50    51    62    68    69    48    49    70    61    53  
   45    46    47    50    68    48    49  
   46    47    50    51    52    57    59    68    48    49    61    53    54    55    56  
   47    50    51    48    61    53  
   50    51    48    61    53  
   49    70    71    50    60    62    63    68    69  
   70    62    68    69  
   51    52    57    58    59    60    61    53    54    55    56  
   52    57    58    59    60    61    53    54    55    56  
   57    58    59    61    53  
   54    55    56    57    59    61  
   55    56    61  
   56    61  
   61  
   58    59    60    62    64    61  
   59    60    61  
   60    62    63    68    64    65    66    67    61  
   62    63    68    69    70    64    65    66    67    61  
   62    64  
   63    68    69    70    71    64    65    66    67  
   68    69    70    64  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71  
   71    72    73    74    77  
   72    73    74    75    76    77    78    79    80  
   73    74    77  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   66   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   317.000  1.522
   50    61   320.000  1.410
   50    53   268.000  1.529
   51    52   570.000  1.229
   51    57   320.000  1.462
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   380.000  1.444
   59    61   440.000  1.360
   60    62   549.000  1.340
   60    64   317.000  1.510
   62    63   340.000  1.080
   62    68   317.000  1.510
   68    69   340.000  1.090
   68    48   268.000  1.529
   68    70   320.000  1.410
   48    49   340.000  1.090
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   64    65   570.000  1.307
   64    66   340.000  1.090
   64    67   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    68    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    68    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    63.00000  111.10000
   45    50    61    50.00000  109.50000
   45    50    53    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    51    52    80.00000  120.40000
   50    51    57    65.00000  118.62400
   50    61    59    90.00000  111.18400
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    40.00000  117.72500
   51    57    59    65.00000  118.96000
   57    51    52    80.00000  123.72100
   57    59    60    70.00000  123.01800
   57    59    61    80.00000  120.01400
   59    57    58    35.00000  120.00000
   59    60    62    70.00000  123.01800
   59    60    64    70.00000  124.00000
   60    62    63    35.00000  120.00000
   60    62    68    70.00000  124.00000
   60    64    65    85.00000  110.90400
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   62    68    69    35.00000  109.50000
   62    68    48    70.00000  112.02700
   62    68    70    85.00000  110.90400
   68    62    63    35.00000  117.00000
   68    48    49    37.50000  110.70000
   68    70    71    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    68    69    37.50000  110.70000
   70    68    69    35.00000  109.50000
   70    68    48    50.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    90.00000  111.29400
   71    73    74    65.00000  118.96000
   71    73    77    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    75    35.00000  120.00000
   73    74    76    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    73    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   64    60    62    70.00000  124.00000
   66    64    65    45.00000  125.66300
   67    64    65    45.00000  125.66300
   67    64    66    33.00000  107.80000
   61    50    51    90.00000  108.74100
   61    59    60    80.00000  120.01400
   53    50    51    63.00000  111.10000
   53    50    61    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    68   0.46850  1.0 1.0
   33    39    48    68   0.08550 -1.0 2.0
   33    39    48    68   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    68   0.09850  1.0 1.0
   40    39    48    68   0.15250 -1.0 2.0
   40    39    48    68  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    68   0.62750  1.0 1.0
   42    43    48    68  -0.30950 -1.0 2.0
   42    43    48    68   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51  -0.95700  1.0 1.0
   43    45    50    51  -0.18200 -1.0 2.0
   43    45    50    51   0.29450  1.0 3.0
   43    45    50    61   0.62750  1.0 1.0
   43    45    50    61  -0.30950 -1.0 2.0
   43    45    50    61   0.27300  1.0 3.0
   43    45    50    53   0.56750  1.0 1.0
   43    45    50    53  -0.07550 -1.0 2.0
   43    45    50    53   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    68   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    68   0.56750  1.0 1.0
   45    43    48    68  -0.07550 -1.0 2.0
   45    43    48    68   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    52   0.30150 -1.0 2.0
   45    50    51    57   0.65300  1.0 1.0
   45    50    51    57  -0.03850 -1.0 2.0
   45    50    51    57   0.33900  1.0 3.0
   45    50    61    59  -0.46850  1.0 1.0
   45    50    61    59   0.09300 -1.0 2.0
   45    50    61    59  -0.12850  1.0 3.0
   45    50    53    54   0.15000  1.0 3.0
   45    50    53    55   0.15000  1.0 3.0
   45    50    53    56   0.15000  1.0 3.0
   46    45    50    51  -0.11250  1.0 3.0
   46    45    50    61   0.23400  1.0 3.0
   46    45    50    53   0.15000  1.0 3.0
   47    45    50    51  -0.11250  1.0 3.0
   47    45    50    61   0.23400  1.0 3.0
   47    45    50    53   0.15000  1.0 3.0
   50    51    57    58   0.04550  1.0 1.0
   50    51    57    58   0.83000 -1.0 2.0
   50    51    57    58  -0.04000  1.0 3.0
   50    51   -57    59  -0.33500  1.0 1.0
   50    51   -57    59   1.06600 -1.0 2.0
   50    51   -57    59  -0.14000  1.0 3.0
   51    50   -61    59  -0.48150  1.0 1.0
   51    50   -61    59   0.09250 -1.0 2.0
   51    50   -61    59  -0.12850  1.0 3.0
   51    50    53    54  -0.11250  1.0 3.0
   51    50    53    55  -0.11250  1.0 3.0
   51    50    53    56  -0.11250  1.0 3.0
   51    57    59    60   7.00000 -1.0 2.0
   51    57   -59    61   7.00000 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   1.00000 -1.0 2.0
   57    59    60    62   0.28850  1.0 1.0
   57    59    60    62   2.61350 -1.0 2.0
   57    59    60    62   0.78400  1.0 3.0
   57    59    60    64  -0.18600  1.0 3.0
   57    59   -61    50  -2.26850  1.0 1.0
   57    59   -61    50   3.39050 -1.0 2.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    60    62    63   7.00000 -1.0 2.0
   59    60    62    68   7.00000 -1.0 2.0
   59    60    64    65   0.39000  1.0 1.0
   59    60    64    65  -0.05800 -1.0 2.0
   59    60    64    65  -0.55150  1.0 3.0
   59    60    64    66   0.00000  1.0 1.0
   59    60    64    67   0.00000  1.0 1.0
   60    59    61    50  -2.26850  1.0 1.0
   60    59    61    50   3.39050 -1.0 2.0
   60    62    68    69   0.00000  1.0 1.0
   60    62    68    48   0.09850  1.0 1.0
   60    62    68    48   0.15250 -1.0 2.0
   60    62    68    48  -0.50650  1.0 3.0
   60    62    68    70   0.39000  1.0 1.0
   60    62    68    70  -0.05800 -1.0 2.0
   60    62    68    70  -0.55150  1.0 3.0
   62    60    64    65   0.39000  1.0 1.0
   62    60    64    65  -0.05800 -1.0 2.0
   62    60    64    65  -0.55150  1.0 3.0
   62    60    64    66   0.00000  1.0 1.0
   62    60    64    67   0.00000  1.0 1.0
   62    68    48    39   0.31000  1.0 1.0
   62    68    48    39   0.14700 -1.0 2.0
   62    68    48    39   0.07550  1.0 3.0
   62    68    48    43   0.34400  1.0 1.0
   62    68    48    43   0.09450 -1.0 2.0
   62    68    48    43   0.11100  1.0 3.0
   62    68    48    49   0.15000  1.0 3.0
   62    68    70    71  -0.82050  1.0 1.0
   62    68    70    71   0.00600 -1.0 2.0
   62    68    70    71   0.04400  1.0 3.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    48   0.00000  1.0 1.0
   63    62    68    70   0.00000  1.0 1.0
   68    70    71    72   3.00000 -1.0 2.0
   68    70    71    73   2.00000 -1.0 2.0
   69    68    48    39   0.15000  1.0 3.0
   69    68    48    43   0.15000  1.0 3.0
   69    68    48    49   0.15000  1.0 3.0
   69    68    70    71   0.08050  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.56750  1.0 1.0
   48    43    45    50  -0.07550 -1.0 2.0
   48    43    45    50   0.20000  1.0 3.0
   48    68    70    71  -0.25900  1.0 1.0
   48    68    70    71  -0.47000 -1.0 2.0
   48    68    70    71   0.11750  1.0 3.0
   70    68    48    39   0.61850  1.0 1.0
   70    68    48    39  -0.22750 -1.0 2.0
   70    68    48    39   0.15300  1.0 3.0
   70    68    48    43   0.62750  1.0 1.0
   70    68    48    43  -0.30950 -1.0 2.0
   70    68    48    43   0.27300  1.0 3.0
   70    68    48    49   0.23400  1.0 3.0
   70    71    73    74  -0.56150  1.0 1.0
   70    71    73    74   2.19150 -1.0 2.0
   70    71    73    77  -0.15000  1.0 1.0
   70    71    73    77   0.89550 -1.0 2.0
   70    71    73    77  -0.06900  1.0 3.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    76   7.00000 -1.0 2.0
   71    73    77    78   0.15000  1.0 3.0
   71    73    77    79   0.15000  1.0 3.0
   71    73    77    80   0.15000  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    77  -0.64400  1.0 1.0
   72    71    73    77   0.26850 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
   77    73    74    75   7.00000 -1.0 2.0
   77    73    74    76   7.00000 -1.0 2.0
   64    60    62    63   7.00000 -1.0 2.0
   64    60    62    68   7.00000 -1.0 2.0
   61    50    51    52   0.30150 -1.0 2.0
   61    50   -51    57   0.65300  1.0 1.0
   61    50   -51    57  -0.03850 -1.0 2.0
   61    50   -51    57   0.33900  1.0 3.0
   61    50    53    54   0.23400  1.0 3.0
   61    50    53    55   0.23400  1.0 3.0
   61    50    53    56   0.23400  1.0 3.0
   61    59    60    62  -0.51250  1.0 1.0
   61    59    60    62   1.23350 -1.0 2.0
   61    59    60    64   1.08500 -1.0 2.0
   53    50    51    52   0.30150 -1.0 2.0
   53    50    51    57   0.65300  1.0 1.0
   53    50    51    57  -0.03850 -1.0 2.0
   53    50    51    57   0.33900  1.0 3.0
   53    50    61    59  -0.46850  1.0 1.0
   53    50    61    59   0.09300 -1.0 2.0
   53    50    61    59  -0.12850  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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   50    57    51    52  10.50000 -1.0 2.0
   51    58    57    59   1.10000 -1.0 2.0
   60    61    59    57   1.10000 -1.0 2.0
   59    64    60    62   1.10000 -1.0 2.0
   68    63    62    60   1.10000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   71    77    73    74  15.00000 -1.0 2.0
   75    76    74    73  15.00000 -1.0 2.0
END
