* LIGAND DATABASE FILE (OPLS2005)
*
001      91    93    160    251     469
    1     0 S   NP   _N1_     1    28.92048    92.71812   -18.69652
    2     1 S   H    _HN1     2     1.03004   111.84396    62.94782
    3     1 S   H    _H1_     3     1.02826    18.62407   141.59690
    4     1 S   H    _H2_     4     1.02770    89.49885   -46.44826
    5     1 S   CT   _CA1     5     1.50126   122.35401  -162.57607
    6     5 S   HC   _HA1     6     1.09578   105.21890    43.99489
    7     5 S   CO3  _C1_     7     1.53755   112.49196   -76.09067
    8     7 S   O2Z  _O11     8     1.26333   115.06813   -43.76051
    9     7 S   O2Z  _O12     9     1.26245   114.92196   135.51432
   10     5 S   CT   _CB1    10     1.53043   107.31639   161.74313
   11    10 S   HC   HB11    11     1.09782   109.10484   -51.67236
   12    10 S   HC   HB12    12     1.09772   110.42810    64.80206
   13    10 S   CT   _CG1    13     1.52985   112.94245  -173.36298
   14    13 S   HC   HG11    14     1.09520   110.04948   -63.73706
   15    13 S   HC   HG12    15     1.09601   110.56000    55.16312
   16    13 S   C    _CD1    16     1.51800   111.13331   174.26404
   17    16 S   O    _OE1    17     1.22845   122.34928   -39.64745
   18    16 S   N    _N2_    18     1.38467   112.67037   141.82666
   19    18 S   H    _HN2    19     1.01570   119.31501    -0.02798
   20    18 S   CT1  _CA2    20     1.46215   123.29712  -179.83929
   21    20 S   HC   _HA2    21     1.09751   109.21096   -18.00975
   22    20 S   C    _C2_    22     1.53441   108.10208  -133.49165
   23    22 S   O    _O2_    23     1.23000   122.35124  -145.04499
   24    20 S   CT   _CB2    32     1.53495   111.80891   104.15501
   25    24 S   HC   HB21    33     1.09582   110.16065    54.32664
   26    24 S   HC   HB22    34     1.09508   110.04826   173.35698
   27    22 S   N    _N3_    24     1.38546   113.27299    42.30640
   28    27 S   H    _HN3    25     1.01534   118.92752    -0.43790
   29    24 S   S    _SG2    35     1.82502   112.00601   -66.87585
   30    27 S   CT   _CA3    26     1.45443   123.35203   175.07582
   31    30 S   HC   HA31    27     1.09531   109.08902    26.81477
   32    30 S   HC   HA32    28     1.09490   107.14263   143.81300
   33    29 S   CT   _C29    36     1.82743    99.04552   179.71538
   34    33 S   F    F1__    37     1.36509   108.47736   -59.59200
   35    33 S   F    F2__    38     1.36519   108.64715    54.06043
   36    30 S   CO3  _C3_    29     1.52947   113.29281   -96.54811
   37    36 S   O2Z  _O31    30     1.26389   115.50907   -41.58153
   38    36 S   O2Z  _O32    31     1.26370   114.91005   139.37835
   39    33 S   CA   _C26    39     1.50890   110.33797   177.10991
   40    39 S   CA   _C25    40     1.39756   120.86973    91.66173
   41    40 S   HA   _H23    41     1.08790   120.36195     0.47724
   42    40 S   CA   _C24    42     1.40039   120.73230  -179.46368
   43    42 S   HA   _H22    43     1.08660   117.19522  -179.76015
   44    42 S   CA   _C23    44     1.40327   121.63040     0.47478
   45    44 S   CA   _C28    45     1.40869   116.89763    -0.50435
   46    45 S   Cl   Cl1_    46     1.73370   120.67665  -179.93147
   47    44 S   NE   _N5_    49     1.38948   123.08973  -179.39026
   48    47 S   H    _H21    50     1.01453   115.82177  -175.31805
   49    39 S   CA   _C27    47     1.39851   120.58735   -87.48282
   50    49 S   HA   _H24    48     1.08831   119.62285    -0.54249
   51    47 S   CT1  _C7_    51     1.45908   125.40542    -4.63202
   52    51 S   HC   _H3_    52     1.09764   108.76521    45.37534
   53    51 S   CO4  _C8_    53     1.52194   109.49411   -72.73924
   54    53 S   O    _O33    54     1.22428   125.01372   -26.48395
   55    51 S   CTF  _C5_    82     1.54738   111.90814   164.21125
   56    55 S   HC   _H8_    83     1.09881   107.49705   178.40590
   57    53 S   OS   _O34    55     1.36715   109.36029   152.86538
   58    55 S   CT   _C4_    84     1.53223   111.09052   -64.77737
   59    58 S   HC   _H5_    85     1.09503   111.67080    65.77359
   60    58 S   HC   _H6_    86     1.09507   110.83096   -54.87711
   61    58 S   HC   _H7_    87     1.09535   110.63559  -174.19043
   62    55 S   CT   _C6_    88     1.53304   114.28213    60.23302
   63    62 S   HC   _H9_    89     1.09417   112.14636   -64.78992
   64    62 S   HC   _H10    90     1.09411   111.44787    56.78441
   65    62 S   HC   _H11    91     1.09582   110.24950   175.68207
   66    57 S   CT   _C9_    56     1.44456   116.73580  -173.05821
   67    66 S   HC   _H4_    57     1.09788   109.16110   -40.00641
   68    66 S   CZ   _C10    58     1.47341   109.01056  -156.90252
   69    68 S   NZ   _N4_    59     1.16074   179.73459    68.11391
   70    66 S   CA   _C11    60     1.51585   108.52514    80.58316
   71    70 S   CA   _C12    61     1.40535   121.27767    62.04135
   72    71 S   HA   _H12    62     1.08774   120.45148     1.69973
   73    71 S   CA   _C13    63     1.39641   120.72468  -178.00600
   74    73 S   HA   _H13    64     1.08645   119.94977  -179.53860
   75    73 S   CA   _C14    65     1.39240   120.12336     0.88647
   76    75 S   HA   _H14    66     1.08584   119.79841   179.50901
   77    75 S   CA   _C15    67     1.39350   119.55387     0.57198
   78    70 S   CA   _C16    68     1.40201   119.90473  -115.26291
   79    78 S   HA   _H15    69     1.08753   120.04723    -2.44505
   80    77 S   OS   _O35    70     1.37563   117.87552  -179.78878
   81    80 S   CA   _C17    71     1.37945   116.86153  -122.94266
   82    81 S   CA   _C18    72     1.39900   123.35879    39.77145
   83    82 S   HA   _H16    73     1.08560   121.29576    -1.27901
   84    82 S   CA   _C19    74     1.39501   119.81634   178.16880
   85    84 S   HA   _H17    75     1.08632   119.95353   179.60534
   86    84 S   CA   _C20    76     1.39442   120.08736    -0.85363
   87    86 S   HA   _H18    77     1.08629   119.94527  -179.75611
   88    86 S   CA   _C21    78     1.39479   120.06032    -0.13122
   89    88 S   HA   _H19    79     1.08629   119.92746  -179.59895
   90    81 S   CA   _C22    80     1.39647   116.50435  -143.60715
   91    90 S   HA   _H20    81     1.08631   120.48961     2.14858
  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
   9   4   3   2   1   1   9   8   4   8   3  10   6   3  11   4
   1   1  15   7  10   3  10   8   7   7   3   2   1   3   2   1
   1  10   5   4   1   9   8   4   6   3   6   3   6   3   1   7
   9   8   4   6   3   5   3   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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    49    50  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50  
   41    42    43    44    45    49    50    47  
   42    43    44    49  
   43    44    45    46    49    47    48    51  
   44    45    47  
   45    46    49    50    47    48    51    52    53    55  
   46    49    50    47    48    51  
   49    50    47  
   48    51    52    53    54    57    55    56    58    62    49  
   51    52    53    55  
   50  
    0  
   52    53    54    57    66    55    56    58    59    60    61    62    63    64    65  
   53    54    57    55    56    58    62  
   54    57    66    67    68    70    55    56    58    62  
   57    66    55  
   56    58    59    60    61    62    63    64    65    57  
   58    59    60    61    62    63    64    65  
   66    67    68    69    70    71    78  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    77    78    79  
   68    69    70    71    78  
   69    70    71    78  
   70  
   71    72    73    74    75    77    78    79    80  
   72    73    74    75    76    77    78    79  
   73    74    75    78  
   74    75    76    77    78    80  
   75    76    77  
   76    77    78    79    80    81  
   77    78    80  
   78    79    80    81    82    90  
   79    80    81  
   80  
   81    82    83    84    88    90    91  
   82    83    84    85    86    88    89    90    91  
   83    84    85    86    87    88    90    91  
   84    85    86    90  
   85    86    87    88    89    90  
   86    87    88  
   87    88    89    90    91  
   88    89    90  
   89    90    91  
   90    91  
   91  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   47   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   69   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   70   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   481.000  1.340
   45    46   300.000  1.725
   45    49   469.000  1.400
   49    50   367.000  1.080
   47    48   434.000  1.010
   47    51   382.000  1.448
   51    52   340.000  1.090
   51    53   255.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    57   214.000  1.327
   57    66   320.000  1.410
   66    67   340.000  1.090
   66    68   390.000  1.470
   66    70   317.000  1.510
   68    69   650.000  1.157
   70    71   469.000  1.400
   70    78   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   80    81   450.000  1.364
   81    82   469.000  1.400
   81    90   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    62   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    45    63.00000  120.00000
   39    49    50    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    70.00000  120.10000
   44    42    43    35.00000  120.00000
   44    45    46    75.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    35.00000  113.50000
   44    47    51    50.00000  120.00000
   45    49    50    35.00000  120.00000
   49    39    40    63.00000  120.00000
   49    45    46    75.00000  120.00000
   47    44    45    70.00000  120.10000
   47    51    52    35.00000  109.50000
   47    51    53    80.00000  111.64100
   47    51    55    80.00000  109.70000
   51    47    48    35.00000  112.50000
   51    53    54    75.00000  123.42600
   51    53    57    90.00000  109.72300
   51    55    56    37.50000  110.70000
   51    55    58    58.35000  112.70000
   51    55    62    58.35000  112.70000
   53    51    52    45.00000  110.09800
   53    57    66    83.00000  116.90000
   57    53    54    83.00000  123.40000
   57    66    67    35.00000  109.50000
   57    66    68    90.00000  109.17800
   57    66    70    85.00000  111.85700
   66    68    69   150.00000  180.00000
   66    70    71    70.00000  120.00000
   66    70    78    70.00000  120.00000
   68    66    67    35.00000  108.50000
   70    66    67    35.00000  109.50000
   70    66    68    70.00000  111.71400
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    78    77    63.00000  120.00000
   70    78    79    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    80    70.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    80    81    85.00000  114.70000
   78    70    71    63.00000  120.00000
   80    77    78    70.00000  120.00000
   80    81    82    70.00000  120.00000
   80    81    90    70.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    84    63.00000  120.00000
   81    90    88    63.00000  120.00000
   81    90    91    35.00000  120.00000
   82    84    85    35.00000  120.00000
   82    84    86    63.00000  120.00000
   84    82    83    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    63.00000  120.00000
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   90    81    82    63.00000  120.00000
   90    88    89    35.00000  120.00000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   58    55    56    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    45   3.62500 -1.0 2.0
   33    39    49    50   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    49    45   3.62500 -1.0 2.0
   40    39    49    50   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    47    48   1.00000 -1.0 2.0
   42    44    47    51  -1.00000  1.0 1.0
   42    44    47    51   1.25000 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -49    39   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    53  -0.12500  1.0 1.0
   44    47    51    53  -0.12500 -1.0 2.0
   44    47    51    53   0.25000  1.0 3.0
   44    47    51    55  -0.12500  1.0 1.0
   44    47    51    55  -0.12500 -1.0 2.0
   44    47    51    55   0.25000  1.0 3.0
   45    44    47    48   1.00000 -1.0 2.0
   45    44    47    51  -1.00000  1.0 1.0
   45    44    47    51   1.25000 -1.0 2.0
   46    45    49    39   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    53    54   0.00000  1.0 1.0
   47    51    53    57   0.40000  1.0 3.0
   47    51    55    56   0.23200  1.0 3.0
   47    51    55    58   0.26400  1.0 1.0
   47    51    55    58   0.16150 -1.0 2.0
   47    51    55    58   0.25850  1.0 3.0
   47    51    55    62   0.26400  1.0 1.0
   47    51    55    62   0.16150 -1.0 2.0
   47    51    55    62   0.25850  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    55   0.00000  1.0 1.0
   51    53    57    66   1.63150  1.0 1.0
   51    53    57    66   2.92000 -1.0 2.0
   51    55    58    59   0.15000  1.0 3.0
   51    55    58    60   0.15000  1.0 3.0
   51    55    58    61   0.15000  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    65   0.15000  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    57   0.00000  1.0 1.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   52    51    55    62   0.15000  1.0 3.0
   53    51    55    56  -0.03800  1.0 3.0
   53    51    55    58  -0.45800  1.0 1.0
   53    51    55    58   0.20550 -1.0 2.0
   53    51    55    62  -0.45800  1.0 1.0
   53    51    55    62   0.20550 -1.0 2.0
   53    57    66    67   0.08050  1.0 3.0
   53    57    66    68  -0.24150  1.0 1.0
   53    57    66    68  -0.46200 -1.0 2.0
   53    57    66    68   0.11700  1.0 3.0
   53    57    66    70  -0.43900 -1.0 2.0
   53    57    66    70   0.14100  1.0 3.0
   54    53    57    66   3.00000 -1.0 2.0
   57    66    68    69   0.00000  1.0 1.0
   57    66    70    71   0.64500  1.0 1.0
   57    66    70    71   0.14800 -1.0 2.0
   57    66    70    71   0.20650  1.0 3.0
   57    66    70    78   0.64500  1.0 1.0
   57    66    70    78   0.14800 -1.0 2.0
   57    66    70    78   0.20650  1.0 3.0
   66    70    71    72   3.62500 -1.0 2.0
   66    70    71    73   3.62500 -1.0 2.0
   66    70    78    77   3.62500 -1.0 2.0
   66    70    78    79   3.62500 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    78   0.00000  1.0 1.0
   68    66    70    71   0.04300 -1.0 2.0
   68    66    70    78   0.04300 -1.0 2.0
   70    66    68    69   0.00000  1.0 1.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    78    77   3.62500 -1.0 2.0
   71    70    78    79   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    80   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -78    70   3.62500 -1.0 2.0
   75    77    78    79   3.62500 -1.0 2.0
   75    77    80    81   0.47150 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    80   3.62500 -1.0 2.0
   77    80    81    82   0.47150 -1.0 2.0
   77    80    81    90   0.47150 -1.0 2.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    73   3.62500 -1.0 2.0
   78    77    80    81   0.47150 -1.0 2.0
   80    77    78    70   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    81    82    83   3.62500 -1.0 2.0
   80    81    82    84   3.62500 -1.0 2.0
   80    81    90    88   3.62500 -1.0 2.0
   80    81    90    91   3.62500 -1.0 2.0
   81    82    84    85   3.62500 -1.0 2.0
   81    82    84    86   3.62500 -1.0 2.0
   82    81    90    88   3.62500 -1.0 2.0
   82    81    90    91   3.62500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   82    84   -86    88   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    86    88    89   3.62500 -1.0 2.0
   84    86    88    90   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88   -90    81   3.62500 -1.0 2.0
   86    88    90    91   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    90   3.62500 -1.0 2.0
   89    88    90    81   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   90    81    82    83   3.62500 -1.0 2.0
   90    81   -82    84   3.62500 -1.0 2.0
   55    51    53    54   0.00000  1.0 1.0
   55    51    53    57   0.36750  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  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    65   0.15000  1.0 3.0
   58    55    62    63   0.15000  1.0 3.0
   58    55    62    64   0.15000  1.0 3.0
   58    55    62    65   0.15000  1.0 3.0
   62    55    58    59   0.15000  1.0 3.0
   62    55    58    60   0.15000  1.0 3.0
   62    55    58    61   0.15000  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
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   49    46    45    44   4.00000 -1.0 2.0
   45    50    49    39   1.10000 -1.0 2.0
   48    44    47    51   1.00000 -1.0 2.0
   51    57    53    54  10.50000 -1.0 2.0
   71    78    70    66   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    80    77    75   4.00000 -1.0 2.0
   77    79    78    70   1.10000 -1.0 2.0
   82    90    81    80   4.00000 -1.0 2.0
   84    83    82    81   1.10000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   90    89    88    86   1.10000 -1.0 2.0
   88    91    90    81   1.10000 -1.0 2.0
END
