* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    167    259     496
    1     0 S   NP   _N1_     1    28.69478    98.27876   -19.82651
    2     1 S   H    _HN1     2     1.02836    52.13047   140.26921
    3     1 S   H    _H1_     3     1.02779    91.93846  -108.45553
    4     1 S   H    _H2_     4     1.02955    65.65034     0.82139
    5     1 S   CT   _CA1     5     1.50164   154.84436    87.16947
    6     5 S   HC   _HA1     6     1.09585   105.12568   101.58183
    7     5 S   CO3  _C1_     7     1.53776   112.31970   -18.32853
    8     7 S   O2Z  _O11     8     1.26371   114.96047   -44.44202
    9     7 S   O2Z  _O12     9     1.26240   114.94446   134.36229
   10     5 S   CT   _CB1    10     1.53116   107.35817  -140.74584
   11    10 S   HC   HB11    11     1.09823   109.16848   -51.36076
   12    10 S   HC   HB12    12     1.09809   110.52291    65.20124
   13    10 S   CT   _CG1    13     1.52968   112.63866  -172.46964
   14    13 S   HC   HG11    14     1.09341   110.20295   -68.61182
   15    13 S   HC   HG12    15     1.09658   109.92730    50.53350
   16    13 S   C    _CD1    16     1.51783   112.50814   171.12281
   17    16 S   O    _OE1    17     1.22770   123.21706     5.39830
   18    16 S   N    _N2_    18     1.38674   111.83832  -174.18938
   19    18 S   H    _HN2    19     1.01583   118.96430     2.26866
   20    18 S   CT1  _CA2    20     1.45734   122.49464   174.18999
   21    20 S   HC   _HA2    21     1.09725   108.87523    28.56731
   22    20 S   C    _C2_    22     1.53045   106.68855   -88.24904
   23    22 S   O    _O2_    23     1.22982   123.05660   -28.30094
   24    20 S   CT   _CB2    32     1.53116   112.74591   152.34599
   25    24 S   HC   HB21    33     1.09449   110.56394    52.78089
   26    24 S   HC   HB22    34     1.09564   110.04488   170.33305
   27    22 S   N    _N3_    24     1.38497   112.56126   154.47784
   28    27 S   H    _HN3    25     1.01654   120.35100    -2.15122
   29    24 S   S    _SG2    35     1.82641   111.81276   -71.56258
   30    27 S   CT   _CA3    26     1.45355   122.50116   178.61605
   31    30 S   HC   HA31    27     1.09566   107.83150   -55.48928
   32    30 S   HC   HA32    28     1.09562   107.59671    60.85397
   33    29 S   CT   _C20    36     1.85595   100.67448   109.64105
   34    33 S   HC   _H8_    37     1.09611   107.76955   -40.36841
   35    30 S   CO3  _C3_    29     1.52893   114.30338  -177.39015
   36    35 S   O2Z  _O31    30     1.26339   116.04798     0.44057
   37    35 S   O2Z  _O32    31     1.26435   114.41721  -179.60634
   38    33 S   CM   _C7_    38     1.54300   106.82575  -155.40121
   39    33 S   CT   _C21    84     1.53118   107.72932    74.31586
   40    39 S   HC   _H27    85     1.09534   112.76006    53.62172
   41    39 S   HC   _H28    86     1.09546   111.29476   -66.42577
   42    39 S   HC   _H29    87     1.09290   111.16982   175.78142
   43    38 S   CMA  _C8_    39     1.37128   128.03668  -103.13793
   44    43 S   OM   _O38    40     1.27127   124.54714   171.72168
   45    38 S   CT   _C6_    67     1.53995   112.13347    77.43920
   46    45 S   HC   _H12    68     1.09945   107.89080  -122.98623
   47    45 S   HC   _H13    69     1.09734   110.19898    -9.86713
   48    43 S   OS   _O33    41     1.41018   112.18062   -10.29826
   49    48 S   CT   _C9_    42     1.42309   117.68277  -173.98135
   50    49 S   HC   _H4_    43     1.09860   110.38929   -46.56294
   51    49 S   CT   _C10    44     1.55102   108.13522  -162.90924
   52    51 S   HC   _H14    45     1.09532   111.22690   107.97433
   53    51 S   HC   _H15    46     1.09717   110.79372   -11.59167
   54    51 S   CT   _C11    47     1.52917   105.96826  -131.44644
   55    54 S   HC   _H16    48     1.09369   111.76998   151.41904
   56    54 S   HC   _H17    49     1.09663   110.59230   -86.82224
   57    54 S   NTH0 _N4_    50     1.44472    99.97434    31.86145
   58    57 S   CT   _C19    51     1.45092   119.42015  -166.35671
   59    58 S   HC   _H24    52     1.09626   112.77085    33.62978
   60    58 S   HC   _H25    53     1.09421   110.09024   -88.27467
   61    58 S   CT   _C18    54     1.54459   102.37060   153.59431
   62    61 S   HC   _H7_    55     1.09444   112.19293   120.48699
   63    61 S   CT   _C13    56     1.56105   106.17502    -3.38900
   64    63 S   HC   _H6_    57     1.09655   110.79954  -141.62524
   65    61 S   OH   _O37    82     1.42818   109.32948  -120.33475
   66    65 S   HO   _H26    83     0.97241   107.38082   -62.97620
   67    63 S   CT   _C14    58     1.53995   109.74293    96.11836
   68    67 S   HC   _H18    59     1.09285   111.88500  -100.26932
   69    67 S   HC   _H19    60     1.09532   111.33208    20.86494
   70    49 S   CT   _C12    80     1.53117   117.22558    81.18893
   71    70 S   HC   _H5_    81     1.10379   105.36643  -148.09439
   72    67 S   OS   _O34    61     1.44270   108.83386   137.55640
   73    72 S   CO4  _C15    62     1.36399   116.07013   167.59285
   74    73 S   O    _O35    63     1.22671   125.08123     4.39115
   75    73 S   CT   _C16    64     1.53359   111.35540  -177.84941
   76    75 S   CT   _C5_    65     1.56009   114.16492    48.40031
   77    76 S   HC   _H3_    66     1.09607   108.11428   -56.92031
   78    75 S   CT   _C17    74     1.53587   106.50233   -76.66995
   79    78 S   HC   _H20    75     1.09498   111.65858  -163.93996
   80    78 S   HC   _H21    76     1.09508   111.55862    73.65358
   81    78 S   HC   _H22    77     1.09710   110.90080   -46.21105
   82    75 S   OH   _O36    78     1.42927   106.86118   168.45225
   83    82 S   HO   _H23    79     0.97286   108.09373    63.31746
   84    76 S   CT   _C4_    70     1.54107   111.93460  -173.03897
   85    84 S   HC   _H9_    71     1.09353   111.49193   -58.73638
   86    84 S   HC   _H10    72     1.09574   110.76486  -178.78437
   87    84 S   HC   _H11    73     1.09401   111.55229    62.65242
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  15   8  10   6   5  10   4   3  11  11   6   5  11   6  10   7
   3   1   8   4   3   2   1   6  11   4  12  11   6   6   3   2
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    76    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    75    76    77    45    46    47    84    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    76    45    46    47    70  
   48    49    45  
   46    47    84    85    86    87    78    82    48    73    75    76    77  
   47    84    75    76    77  
   84    75    76    77  
   49    50    51    52    53    54    57    63    70    71  
   50    51    52    53    54    55    56    57    58    61    63    64    67    70    71  
   51    52    53    54    57    63    70    71  
   52    53    54    55    56    57    58    63    70    71  
   53    54    55    56    57    70  
   54    55    56    57    70  
   55    56    57    58    59    60    61    63    70    71  
   56    57    58    70  
   57    58    70  
   58    59    60    61    62    63    64    67    70    71    65  
   59    60    61    62    63    64    67    70    71    65    66  
   60    61    62    63    70    65  
   61    62    63    70    65  
   62    63    64    67    68    69    72    70    71    65    66  
   63    64    67    70    65    66  
   64    67    68    69    72    73    70    71    65    66  
   67    68    69    72    70    71    65  
   66    67    70  
    0  
   68    69    72    73    74    75    70    71  
   69    72    73    70  
   72    73    70  
   71    72  
    0  
   73    74    75    76    78    82  
   74    75    76    77    84    78    79    80    81    82    83  
   75    76    78    82  
   76    77    84    85    86    87    78    79    80    81    82    83  
   77    84    85    86    87    78    79    80    81    82    83  
   84    85    86    87    78    82  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   58   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    70   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   310.000  1.447
   57    58   310.000  1.447
   57    70   310.000  1.447
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   268.000  1.529
   75    78   268.000  1.529
   75    82   320.000  1.410
   76    77   340.000  1.090
   76    45   268.000  1.529
   76    84   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   70    71   340.000  1.090
   65    66   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    76    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    70    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    70    57    75.00000  113.73300
   49    70    63    58.35000  112.70000
   49    70    71    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    75.00000  113.73300
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    80.00000  110.40700
   54    57    70    80.00000  110.40700
   56    54    55    33.00000  107.80000
   57    54    55    50.00000  110.15500
   57    54    56    50.00000  110.15500
   57    58    59    50.00000  110.15500
   57    58    60    50.00000  110.15500
   57    58    61    75.00000  113.73300
   57    70    63    75.00000  113.73300
   57    70    71    50.00000  110.15500
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    65    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    70    58.35000  112.70000
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    72    50.00000  109.50000
   63    70    71    37.50000  110.70000
   67    63    64    37.50000  110.70000
   67    72    73    83.00000  116.90000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    63.00000  111.10000
   73    75    78    63.00000  111.10000
   73    75    82    90.00000  109.61100
   75    73    74    80.00000  120.40000
   75    76    77    37.50000  110.70000
   75    76    45    58.35000  112.70000
   75    76    84    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   75    82    83    55.00000  108.50000
   76    45    46    37.50000  110.70000
   76    45    47    37.50000  110.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    76    77    37.50000  110.70000
   47    45    46    33.00000  107.80000
   84    76    77    37.50000  110.70000
   84    76    45    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    75    76    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    75    76    50.00000  109.50000
   82    75    78    50.00000  109.50000
   70    49    50    37.50000  110.70000
   70    49    51    58.35000  112.70000
   70    57    58    80.00000  110.40700
   70    63    64    37.50000  110.70000
   70    63    67    58.35000  112.70000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    76   0.46850  1.0 1.0
   33    38    45    76   0.08550 -1.0 2.0
   33    38    45    76   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    76   0.09850  1.0 1.0
   43    38    45    76   0.15250 -1.0 2.0
   43    38    45    76  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    70  -0.46850  1.0 1.0
   43    48    49    70   0.09300 -1.0 2.0
   43    48    49    70  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    70    57   0.63850  1.0 1.0
   48    49    70    57   0.02700 -1.0 2.0
   48    49    70    63   0.62750  1.0 1.0
   48    49    70    63  -0.30950 -1.0 2.0
   48    49    70    63   0.27300  1.0 3.0
   48    49    70    71   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.53400  1.0 1.0
   49    51   -54    57  -0.09950 -1.0 2.0
   49    51   -54    57   0.05700  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    70    57   0.15000  1.0 3.0
   50    49    70    63   0.15000  1.0 3.0
   50    49    70    71   0.15000  1.0 3.0
   51    49   -70    57   1.53400  1.0 1.0
   51    49   -70    57  -0.09950 -1.0 2.0
   51    49   -70    57   0.05700  1.0 3.0
   51    49    70    63   0.56750  1.0 1.0
   51    49    70    63  -0.07550 -1.0 2.0
   51    49    70    63   0.20000  1.0 3.0
   51    49    70    71   0.15000  1.0 3.0
   51    54    57    58   1.99000  1.0 1.0
   51    54    57    58   0.18800 -1.0 2.0
   51    54    57    58   0.81350  1.0 3.0
   51    54   -57    70   1.99000  1.0 1.0
   51    54   -57    70   0.18800 -1.0 2.0
   51    54   -57    70   0.81350  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    57    58    59   0.28000  1.0 3.0
   54    57    58    60   0.28000  1.0 3.0
   54    57    58    61   1.99000  1.0 1.0
   54    57    58    61   0.18800 -1.0 2.0
   54    57    58    61   0.81350  1.0 3.0
   54    57   -70    49   1.99000  1.0 1.0
   54    57   -70    49   0.18800 -1.0 2.0
   54    57   -70    49   0.81350  1.0 3.0
   54    57    70    63   1.99000  1.0 1.0
   54    57    70    63   0.18800 -1.0 2.0
   54    57    70    63   0.81350  1.0 3.0
   54    57    70    71   0.28000  1.0 3.0
   55    54    57    58   0.28000  1.0 3.0
   55    54    57    70   0.28000  1.0 3.0
   56    54    57    58   0.28000  1.0 3.0
   56    54    57    70   0.28000  1.0 3.0
   57    58    61    62   0.15000  1.0 3.0
   57    58   -61    63   1.53400  1.0 1.0
   57    58   -61    63  -0.09950 -1.0 2.0
   57    58   -61    63   0.05700  1.0 3.0
   57    58    61    65   3.18500  1.0 1.0
   58    57    70    49   1.99000  1.0 1.0
   58    57    70    49   0.18800 -1.0 2.0
   58    57    70    49   0.81350  1.0 3.0
   58    57   -70    63   1.99000  1.0 1.0
   58    57   -70    63   0.18800 -1.0 2.0
   58    57   -70    63   0.81350  1.0 3.0
   58    57    70    71   0.28000  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    67   0.56750  1.0 1.0
   58    61    63    67  -0.07550 -1.0 2.0
   58    61    63    67   0.20000  1.0 3.0
   58    61   -63    70   0.56750  1.0 1.0
   58    61   -63    70  -0.07550 -1.0 2.0
   58    61   -63    70   0.20000  1.0 3.0
   58    61    65    66  -0.11600  1.0 1.0
   58    61    65    66  -0.09450 -1.0 2.0
   58    61    65    66   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    65   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    65   0.23400  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63    67    69   0.15000  1.0 3.0
   61    63    67    72   0.62750  1.0 1.0
   61    63    67    72  -0.30950 -1.0 2.0
   61    63    67    72   0.27300  1.0 3.0
   61    63    70    49   0.56750  1.0 1.0
   61    63    70    49  -0.07550 -1.0 2.0
   61    63    70    49   0.20000  1.0 3.0
   61    63   -70    57   1.53400  1.0 1.0
   61    63   -70    57  -0.09950 -1.0 2.0
   61    63   -70    57   0.05700  1.0 3.0
   61    63    70    71   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    70   0.15000  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67    72    73  -0.25900  1.0 1.0
   63    67    72    73  -0.47000 -1.0 2.0
   63    67    72    73   0.11750  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   64    63    70    49   0.15000  1.0 3.0
   64    63    70    57   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   67    63    70    49   0.56750  1.0 1.0
   67    63    70    49  -0.07550 -1.0 2.0
   67    63    70    49   0.20000  1.0 3.0
   67    63    70    57   1.53400  1.0 1.0
   67    63    70    57  -0.09950 -1.0 2.0
   67    63    70    57   0.05700  1.0 3.0
   67    63    70    71   0.15000  1.0 3.0
   67    72    73    74   3.00000 -1.0 2.0
   67    72    73    75   1.63150  1.0 1.0
   67    72    73    75   2.92000 -1.0 2.0
   68    67    72    73   0.08050  1.0 3.0
   69    67    72    73   0.08050  1.0 3.0
   72    73    75    76   0.36750  1.0 3.0
   72    73    75    78   0.36750  1.0 3.0
   72    73    75    82   0.30750  1.0 1.0
   72    73    75    82   1.13850 -1.0 2.0
   72    73    75    82   0.38850  1.0 3.0
   73    75    76    77  -0.11250  1.0 3.0
   73    75    76    45  -0.95700  1.0 1.0
   73    75    76    45  -0.18200 -1.0 2.0
   73    75    76    45   0.29450  1.0 3.0
   73    75    76    84  -0.95700  1.0 1.0
   73    75    76    84  -0.18200 -1.0 2.0
   73    75    76    84   0.29450  1.0 3.0
   73    75    78    79  -0.11250  1.0 3.0
   73    75    78    80  -0.11250  1.0 3.0
   73    75    78    81  -0.11250  1.0 3.0
   73    75    82    83   0.91850  1.0 1.0
   73    75    82    83   0.57950  1.0 3.0
   74    73    75    76   0.30150 -1.0 2.0
   74    73    75    78   0.30150 -1.0 2.0
   74    73    75    82   0.30150 -1.0 2.0
   75    76    45    38   0.34400  1.0 1.0
   75    76    45    38   0.09450 -1.0 2.0
   75    76    45    38   0.11100  1.0 3.0
   75    76    45    46   0.15000  1.0 3.0
   75    76    45    47   0.15000  1.0 3.0
   75    76    84    85   0.15000  1.0 3.0
   75    76    84    86   0.15000  1.0 3.0
   75    76    84    87   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   76    75    82    83  -0.11600  1.0 1.0
   76    75    82    83  -0.09450 -1.0 2.0
   76    75    82    83   0.21250  1.0 3.0
   77    76    45    38   0.15000  1.0 3.0
   77    76    45    46   0.15000  1.0 3.0
   77    76    45    47   0.15000  1.0 3.0
   77    76    84    85   0.15000  1.0 3.0
   77    76    84    86   0.15000  1.0 3.0
   77    76    84    87   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    76    84    85   0.15000  1.0 3.0
   45    76    84    86   0.15000  1.0 3.0
   45    76    84    87   0.15000  1.0 3.0
   84    76    45    38   0.34400  1.0 1.0
   84    76    45    38   0.09450 -1.0 2.0
   84    76    45    38   0.11100  1.0 3.0
   84    76    45    46   0.15000  1.0 3.0
   84    76    45    47   0.15000  1.0 3.0
   78    75    76    77   0.15000  1.0 3.0
   78    75    76    45   0.56750  1.0 1.0
   78    75    76    45  -0.07550 -1.0 2.0
   78    75    76    45   0.20000  1.0 3.0
   78    75    76    84   0.56750  1.0 1.0
   78    75    76    84  -0.07550 -1.0 2.0
   78    75    76    84   0.20000  1.0 3.0
   78    75    82    83  -0.11600  1.0 1.0
   78    75    82    83  -0.09450 -1.0 2.0
   78    75    82    83   0.21250  1.0 3.0
   82    75    76    77   0.23400  1.0 3.0
   82    75    76    45   0.86500  1.0 1.0
   82    75    76    45  -0.17500 -1.0 2.0
   82    75    76    45   0.20800  1.0 3.0
   82    75    76    84   0.86500  1.0 1.0
   82    75    76    84  -0.17500 -1.0 2.0
   82    75    76    84   0.20800  1.0 3.0
   82    75    78    79   0.23400  1.0 3.0
   82    75    78    80   0.23400  1.0 3.0
   82    75    78    81   0.23400  1.0 3.0
   70    49    51    52   0.15000  1.0 3.0
   70    49    51    53   0.15000  1.0 3.0
   70    49   -51    54   0.56750  1.0 1.0
   70    49   -51    54  -0.07550 -1.0 2.0
   70    49   -51    54   0.20000  1.0 3.0
   70    57    58    59   0.28000  1.0 3.0
   70    57    58    60   0.28000  1.0 3.0
   70    57   -58    61   1.99000  1.0 1.0
   70    57   -58    61   0.18800 -1.0 2.0
   70    57   -58    61   0.81350  1.0 3.0
   70    63    67    68   0.15000  1.0 3.0
   70    63    67    69   0.15000  1.0 3.0
   70    63    67    72   0.62750  1.0 1.0
   70    63    67    72  -0.30950 -1.0 2.0
   70    63    67    72   0.27300  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   0.86500  1.0 1.0
   65    61    63    67  -0.17500 -1.0 2.0
   65    61    63    67   0.20800  1.0 3.0
   65    61    63    70   0.86500  1.0 1.0
   65    61    63    70  -0.17500 -1.0 2.0
   65    61    63    70   0.20800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
