* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    151    237     432
    1     0 S   NP   _N1_     1    29.05963    97.59009   -22.76888
    2     1 S   H    _HN1     2     1.02954    68.54552    20.33520
    3     1 S   H    _H1_     3     1.02830    44.40474   168.67763
    4     1 S   H    _H2_     4     1.02779    99.77449   -85.67741
    5     1 S   CT   _CA1     5     1.50083   145.66469   115.41068
    6     5 S   HC   _HA1     6     1.09582   105.23485    95.99863
    7     5 S   CO3  _C1_     7     1.53842   112.50957   -24.23162
    8     7 S   O2Z  _O11     8     1.26366   114.99723   -41.46377
    9     7 S   O2Z  _O12     9     1.26249   114.96650   137.78416
   10     5 S   CT   _CB1    10     1.53127   107.44877  -145.97570
   11    10 S   HC   HB11    11     1.09818   109.50678   -49.94656
   12    10 S   HC   HB12    12     1.09809   110.42845    66.77542
   13    10 S   CT   _CG1    13     1.52868   112.39585  -170.92840
   14    13 S   HC   HG11    14     1.09572   110.40115   -64.30737
   15    13 S   HC   HG12    15     1.09660   109.83869    54.77519
   16    13 S   C    _CD1    16     1.51799   112.64492   175.51686
   17    16 S   O    _OE1    17     1.22672   123.48811     4.81076
   18    16 S   N    _N2_    18     1.38546   111.26345  -175.60983
   19    18 S   H    _HN2    19     1.01483   118.66325     3.20992
   20    18 S   CT1  _CA2    20     1.46166   123.97792   179.53186
   21    20 S   HC   _HA2    21     1.09677   109.45237    -6.79512
   22    20 S   C    _C2_    22     1.53613   108.55061  -122.94329
   23    22 S   O    _O2_    23     1.23049   122.06408  -155.84134
   24    20 S   CT   _CB2    32     1.53470   111.22108   115.69865
   25    24 S   HC   HB21    33     1.09433   109.40146    58.27483
   26    24 S   HC   HB22    34     1.09516   110.64967   176.47169
   27    22 S   N    _N3_    24     1.38253   113.85817    30.49515
   28    27 S   H    _HN3    25     1.01615   119.29785    -0.69774
   29    24 S   S    _SG2    35     1.82766   111.90814   -63.72409
   30    27 S   CT   _CA3    26     1.45295   123.62247   179.30339
   31    30 S   HC   HA31    27     1.09517   107.33969   -75.53462
   32    30 S   HC   HA32    28     1.09552   108.38514    41.15341
   33    29 S   CT   _C25    36     1.82467    99.94135   154.83089
   34    33 S   F    F1__    37     1.36375   108.63826   159.27103
   35    33 S   F    F2__    38     1.36368   108.91448    45.22248
   36    30 S   CO3  _C3_    29     1.53021   113.73046   163.61312
   37    36 S   O2Z  _O31    30     1.26394   115.98492    10.05121
   38    36 S   O2Z  _O32    31     1.26402   114.51216  -169.88046
   39    33 S   CM   _C24    39     1.50534   111.73392   -78.76274
   40    39 S   Cl   Cl1_    40     1.73964   115.52954   -69.32292
   41    39 S   CM   _C23    41     1.34585   124.10127   112.77671
   42    41 S   HC   _H18    42     1.08882   117.46129    -0.14804
   43    41 S   C3T  _C6_    43     1.47280   127.49973  -179.66780
   44    43 S   HC   _H3_    44     1.08668   113.27920   -67.11798
   45    43 S   C3T  _C7_    45     1.51248   119.23369   150.05882
   46    45 S   HC   _H4_    46     1.08725   116.55243    -2.35127
   47    43 S   C3T  _C5_    47     1.52072   119.99228    79.55463
   48    45 S   CO4  _C8_    56     1.47841   121.82901   142.32554
   49    48 S   O    _O33    57     1.22124   122.90971   -40.92531
   50    47 S   CT   _C4_    48     1.51080   116.35531  -139.84994
   51    50 S   HC   _H6_    49     1.09486   110.42713  -150.83343
   52    50 S   HC   _H7_    50     1.09523   110.11555    89.78845
   53    50 S   HC   _H8_    51     1.09506   112.47806   -30.10298
   54    47 S   CT   _C26    52     1.50683   121.56303     4.85696
   55    54 S   HC   _H19    53     1.09421   110.03961   156.21656
   56    54 S   HC   _H20    54     1.09420   112.62357    36.77591
   57    54 S   HC   _H21    55     1.09381   110.22034   -84.43432
   58    48 S   OS   _O34    58     1.35691   109.83332   139.33619
   59    58 S   CT   _C9_    59     1.44365   118.61728  -175.76955
   60    59 S   HC   _H5_    60     1.09737   108.84740    31.36287
   61    59 S   CZ   _C10    61     1.47144   109.96697   -89.58141
   62    61 S   NZ   _N4_    62     1.16069   179.78420    69.00444
   63    59 S   CA   _C11    63     1.51706   107.73184   148.78871
   64    63 S   CA   _C12    64     1.40341   119.97231  -146.53615
   65    64 S   HA   _H9_    65     1.08765   120.39851     0.22381
   66    64 S   CA   _C13    66     1.39706   120.66782  -179.61845
   67    66 S   HA   _H10    67     1.08651   119.86663   179.69999
   68    66 S   CA   _C14    68     1.39372   120.23523    -0.35110
   69    68 S   HA   _H11    69     1.08638   119.82578  -179.95577
   70    68 S   CA   _C15    70     1.39381   119.68072    -0.34435
   71    63 S   CA   _C16    71     1.40545   121.39151    34.48301
   72    71 S   HA   _H12    72     1.08755   119.94203     1.13004
   73    70 S   OS   _O35    73     1.37781   117.38368   178.80925
   74    73 S   CA   _C17    74     1.37835   116.81309   133.10797
   75    74 S   CA   _C18    75     1.39852   122.36342   -51.60466
   76    75 S   HA   _H13    76     1.08620   121.05653     1.50077
   77    75 S   CA   _C19    77     1.39540   119.66718  -178.06447
   78    77 S   HA   _H14    78     1.08634   119.94204  -179.59362
   79    77 S   CA   _C20    79     1.39526   120.11911     0.53741
   80    79 S   HA   _H15    80     1.08645   120.06333  -179.98022
   81    79 S   CA   _C21    81     1.39514   120.07210     0.38715
   82    81 S   HA   _H16    82     1.08680   119.86762   179.50981
   83    74 S   CA   _C22    83     1.39631   117.27948   131.85902
   84    83 S   HA   _H17    84     1.08641   120.47956    -2.00135
  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
   7   4   3   2   1   1   7   3   9   4  15   6  14   6  11   8
   2   7   3   2   1   3   2   1   1   7  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    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47  
   41    42    43  
   42    43    44    45    46    47    50    54    48  
   43    44    45    47  
   44    45    46    47    50    51    52    53    54    55    56    57    48    49    58  
   45    46    47    50    54    48  
   46    47    50    51    52    53    54    55    56    57    48    49    58    59  
   47    50    54    48    49    58  
   50    51    52    53    54    55    56    57    48    49    58  
   49    58    59    60    61    63    50    54  
   58    59  
   51    52    53    54    55    56    57  
   52    53    54  
   53    54  
   54  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    71  
   60    61    62    63    64    65    66    70    71    72  
   61    62    63    64    71  
   62    63    64    71  
   63  
   64    65    66    67    68    70    71    72    73  
   65    66    67    68    69    70    71    72  
   66    67    68    71  
   67    68    69    70    71    73  
   68    69    70  
   69    70    71    72    73    74  
   70    71    73  
   71    72    73    74    75    83  
   72    73    74  
   73  
   74    75    76    77    81    83    84  
   75    76    77    78    79    81    82    83    84  
   76    77    78    79    80    81    83    84  
   77    78    79    83  
   78    79    80    81    82    83  
   79    80    81  
   80    81    82    83    84  
   81    82    83  
   82    83    84  
   83    84  
   84  
    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   0.247500   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   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   62   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   63   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   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   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.5000   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   84   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   300.000  1.725
   39    41   549.000  1.340
   41    42   340.000  1.080
   41    43   305.000  1.480
   43    44   340.000  1.088
   43    45   260.000  1.509
   43    47   260.000  1.509
   45    46   340.000  1.088
   45    47   260.000  1.509
   45    48   290.000  1.496
   47    50   275.000  1.510
   47    54   275.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   390.000  1.470
   59    63   317.000  1.510
   61    62   650.000  1.157
   63    64   469.000  1.400
   63    71   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   73    74   450.000  1.364
   74    75   469.000  1.400
   74    83   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
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    75.00000  112.20000
   33    39    40    75.00000  111.02000
   33    39    41    70.00000  124.00000
   35    33    34    77.00000  109.10000
   39    33    34    85.00000  110.69400
   39    33    35    85.00000  110.69400
   39    41    42    35.00000  120.00000
   39    41    43    55.00000  125.06700
   41    39    40    75.00000  121.50000
   41    43    44    40.00000  112.45000
   41    43    45    60.00000  120.58800
   41    43    47    60.00000  120.58800
   43    41    42    40.00000  117.24000
   43    45    46    37.50000  117.20000
   43    45    47    10.00000   60.00500
   43    45    48    65.00000  117.18000
   43    47    45    10.00000   60.00500
   43    47    50    60.00000  120.94000
   43    47    54    60.00000  120.94000
   45    43    44    37.50000  117.20000
   45    47    50    60.00000  120.94000
   45    47    54    60.00000  120.94000
   45    48    49    75.00000  121.36600
   45    48    58    81.00000  111.40000
   47    43    44    37.50000  117.20000
   47    43    45    10.00000   60.00500
   47    45    46    37.50000  117.20000
   47    50    51    45.00000  109.38400
   47    50    52    45.00000  109.38400
   47    50    53    45.00000  109.38400
   47    54    55    45.00000  109.38400
   47    54    56    45.00000  109.38400
   47    54    57    45.00000  109.38400
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    47    50    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    45    46    40.00000  116.18000
   48    45    47    65.00000  117.18000
   48    58    59    83.00000  116.90000
   58    48    49    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    90.00000  109.17800
   58    59    63    85.00000  111.85700
   59    61    62   150.00000  180.00000
   59    63    64    70.00000  120.00000
   59    63    71    70.00000  120.00000
   61    59    60    35.00000  108.50000
   63    59    60    35.00000  109.50000
   63    59    61    70.00000  111.71400
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    71    70    63.00000  120.00000
   63    71    72    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    73    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    73    74    85.00000  114.70000
   71    63    64    63.00000  120.00000
   73    70    71    70.00000  120.00000
   73    74    75    70.00000  120.00000
   73    74    83    70.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    83    81    63.00000  120.00000
   74    83    84    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   83    74    75    63.00000  120.00000
   83    81    82    35.00000  120.00000
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  -0.62250  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   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    43   7.00000 -1.0 2.0
   34    33    39    40   0.09700  1.0 1.0
   34    33    39    40   0.15600 -1.0 2.0
   34    33    39    40  -0.50800  1.0 3.0
   34    33    39    41   0.24700  1.0 1.0
   34    33    39    41   0.40650 -1.0 2.0
   34    33    39    41  -0.40300  1.0 3.0
   35    33    39    40   0.09700  1.0 1.0
   35    33    39    40   0.15600 -1.0 2.0
   35    33    39    40  -0.50800  1.0 3.0
   35    33    39    41   0.24700  1.0 1.0
   35    33    39    41   0.40650 -1.0 2.0
   35    33    39    41  -0.40300  1.0 3.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45   0.09850  1.0 1.0
   39    41    43    45   0.15250 -1.0 2.0
   39    41    43    45  -0.50650  1.0 3.0
   39    41    43    47   0.09850  1.0 1.0
   39    41    43    47   0.15250 -1.0 2.0
   39    41    43    47  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    43   7.00000 -1.0 2.0
   41    43    45    46   0.15000  1.0 3.0
   41    43   -45    47   0.34400  1.0 1.0
   41    43   -45    47   0.09450 -1.0 2.0
   41    43   -45    47   0.11100  1.0 3.0
   41    43    45    48  -0.98800  1.0 1.0
   41    43    45    48   0.48800 -1.0 2.0
   41    43    45    48   0.76800  1.0 3.0
   41    43   -47    45   0.34400  1.0 1.0
   41    43   -47    45   0.09450 -1.0 2.0
   41    43   -47    45   0.11100  1.0 3.0
   41    43    47    50   0.34400  1.0 1.0
   41    43    47    50   0.09450 -1.0 2.0
   41    43    47    50   0.11100  1.0 3.0
   41    43    47    54   0.34400  1.0 1.0
   41    43    47    54   0.09450 -1.0 2.0
   41    43    47    54   0.11100  1.0 3.0
   42    41    43    44   0.33100  1.0 3.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    47   0.00000  1.0 1.0
   43    45   -47    50   0.07850  1.0 1.0
   43    45   -47    50  -0.03950 -1.0 2.0
   43    45   -47    50   0.67350  1.0 3.0
   43    45   -47    54   0.07850  1.0 1.0
   43    45   -47    54  -0.03950 -1.0 2.0
   43    45   -47    54   0.67350  1.0 3.0
   43    45    48    49   0.30150 -1.0 2.0
   43    45    48    58   0.36750  1.0 3.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    52   0.15000  1.0 3.0
   43    47    50    53   0.15000  1.0 3.0
   43    47    54    55   0.15000  1.0 3.0
   43    47    54    56   0.15000  1.0 3.0
   43    47    54    57   0.15000  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    48   0.15000  1.0 3.0
   44    43   -47    45   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    54   0.15000  1.0 3.0
   45    43   -47    50   0.07850  1.0 1.0
   45    43   -47    50  -0.03950 -1.0 2.0
   45    43   -47    50   0.67350  1.0 3.0
   45    43   -47    54   0.07850  1.0 1.0
   45    43   -47    54  -0.03950 -1.0 2.0
   45    43   -47    54   0.67350  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   45    47    50    53   0.15000  1.0 3.0
   45    47    54    55   0.15000  1.0 3.0
   45    47    54    56   0.15000  1.0 3.0
   45    47    54    57   0.15000  1.0 3.0
   45    48    58    59   1.63150  1.0 1.0
   45    48    58    59   2.92000 -1.0 2.0
   46    45   -47    43   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45    48    49   0.50000  1.0 3.0
   46    45    48    58   0.00000  1.0 1.0
   47    43   -45    46   0.15000  1.0 3.0
   47    43   -45    48  -0.95700  1.0 1.0
   47    43   -45    48  -0.18200 -1.0 2.0
   47    43   -45    48   0.29450  1.0 3.0
   47    45    48    49   0.30150 -1.0 2.0
   47    45    48    58   0.36750  1.0 3.0
   50    47    54    55   0.15000  1.0 3.0
   50    47    54    56   0.15000  1.0 3.0
   50    47    54    57   0.15000  1.0 3.0
   54    47    50    51   0.15000  1.0 3.0
   54    47    50    52   0.15000  1.0 3.0
   54    47    50    53   0.15000  1.0 3.0
   48    45   -47    43  -0.95700  1.0 1.0
   48    45   -47    43  -0.18200 -1.0 2.0
   48    45   -47    43   0.29450  1.0 3.0
   48    45    47    50  -0.95700  1.0 1.0
   48    45    47    50  -0.18200 -1.0 2.0
   48    45    47    50   0.29450  1.0 3.0
   48    45    47    54  -0.95700  1.0 1.0
   48    45    47    54  -0.18200 -1.0 2.0
   48    45    47    54   0.29450  1.0 3.0
   48    58    59    60   0.08050  1.0 3.0
   48    58    59    61  -0.24150  1.0 1.0
   48    58    59    61  -0.46200 -1.0 2.0
   48    58    59    61   0.11700  1.0 3.0
   48    58    59    63  -0.43900 -1.0 2.0
   48    58    59    63   0.14100  1.0 3.0
   49    48    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    63    64   0.64500  1.0 1.0
   58    59    63    64   0.14800 -1.0 2.0
   58    59    63    64   0.20650  1.0 3.0
   58    59    63    71   0.64500  1.0 1.0
   58    59    63    71   0.14800 -1.0 2.0
   58    59    63    71   0.20650  1.0 3.0
   59    63    64    65   3.62500 -1.0 2.0
   59    63    64    66   3.62500 -1.0 2.0
   59    63    71    70   3.62500 -1.0 2.0
   59    63    71    72   3.62500 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    71   0.00000  1.0 1.0
   61    59    63    64   0.04300 -1.0 2.0
   61    59    63    71   0.04300 -1.0 2.0
   63    59    61    62   0.00000  1.0 1.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    68   3.62500 -1.0 2.0
   64    63    71    70   3.62500 -1.0 2.0
   64    63    71    72   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68    70    73   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70   -71    63   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    73    74   0.47150 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   70    73    74    75   0.47150 -1.0 2.0
   70    73    74    83   0.47150 -1.0 2.0
   71    63    64    65   3.62500 -1.0 2.0
   71    63   -64    66   3.62500 -1.0 2.0
   71    70    73    74   0.47150 -1.0 2.0
   73    70    71    63   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    74    75    76   3.62500 -1.0 2.0
   73    74    75    77   3.62500 -1.0 2.0
   73    74    83    81   3.62500 -1.0 2.0
   73    74    83    84   3.62500 -1.0 2.0
   74    75    77    78   3.62500 -1.0 2.0
   74    75    77    79   3.62500 -1.0 2.0
   75    74    83    81   3.62500 -1.0 2.0
   75    74    83    84   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77   -79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   77    79    81    83   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81   -83    74   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   82    81    83    74   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   83    74    75    76   3.62500 -1.0 2.0
   83    74   -75    77   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   43    42    41    39  15.00000 -1.0 2.0
   45    58    48    49  10.50000 -1.0 2.0
   64    71    63    59   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    73    70    68   4.00000 -1.0 2.0
   70    72    71    63   1.10000 -1.0 2.0
   75    83    74    73   4.00000 -1.0 2.0
   77    76    75    74   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    84    83    74   1.10000 -1.0 2.0
END
