* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    237     447
    1     0 S   NP   _N1_     1    28.99018    99.65034   -23.59715
    2     1 S   H    _HN1     2     1.02947    50.33074    33.09216
    3     1 S   H    _H1_     3     1.02827    62.32663  -176.88794
    4     1 S   H    _H2_     4     1.02794   100.53467   -72.10818
    5     1 S   CT   _CA1     5     1.50127   146.73236    97.14333
    6     5 S   HC   _HA1     6     1.09574   105.16183   130.13520
    7     5 S   CO3  _C1_     7     1.53767   112.43240     9.92787
    8     7 S   O2Z  _O11     8     1.26377   115.00518   -43.19452
    9     7 S   O2Z  _O12     9     1.26233   114.93966   135.78349
   10     5 S   CT   _CB1    10     1.53056   107.40109  -111.90912
   11    10 S   HC   HB11    11     1.09842   109.33085   -49.37059
   12    10 S   HC   HB12    12     1.09810   110.48193    67.22090
   13    10 S   CT   _CG1    13     1.53023   112.64021  -170.29793
   14    13 S   HC   HG11    14     1.09569   110.73653   -67.30306
   15    13 S   HC   HG12    15     1.09669   109.69914    51.94957
   16    13 S   C    _CD1    16     1.51815   111.95832   172.43506
   17    16 S   O    _OE1    17     1.22764   123.16549    12.63950
   18    16 S   N    _N2_    18     1.38639   111.85779  -167.40920
   19    18 S   H    _HN2    19     1.01581   119.04975     0.83039
   20    18 S   CT1  _CA2    20     1.46197   123.34799   176.57657
   21    20 S   HC   _HA2    21     1.09750   109.22128     7.49117
   22    20 S   C    _C2_    22     1.53664   109.09679  -107.97851
   23    22 S   O    _O2_    23     1.23085   122.19708  -150.35902
   24    20 S   CT   _CB2    32     1.53258   111.66762   129.35418
   25    24 S   HC   HB21    33     1.09580   110.32737    56.55564
   26    24 S   HC   HB22    34     1.09443   110.01222   175.59051
   27    22 S   N    _N3_    24     1.38299   113.91865    37.22671
   28    27 S   H    _HN3    25     1.01540   119.61187    -3.45802
   29    24 S   S    _SG2    35     1.82652   111.49596   -64.25755
   30    27 S   CT   _CA3    26     1.45277   123.28953   177.10024
   31    30 S   HC   HA31    27     1.09547   107.53010   -64.34002
   32    30 S   HC   HA32    28     1.09555   107.97951    52.11758
   33    29 S   CT   _C15    36     1.86662    99.52313  -173.78252
   34    33 S   HC   _H3_    37     1.10115   103.98224    -7.41283
   35    30 S   CO3  _C3_    29     1.52976   114.03319   174.10372
   36    35 S   O2Z  _O31    30     1.26385   116.07593    -0.39067
   37    35 S   O2Z  _O32    31     1.26423   114.41852   179.66428
   38    33 S   CT   _C13    38     1.57012   114.14834   106.65479
   39    38 S   HC   _H35    39     1.08536   109.47451   124.58411
   40    33 S   CT   _C16    63     1.59506   112.49438  -120.97905
   41    40 S   OM   _O18    64     1.33244   106.98354    65.59963
   42    38 S   CT   _C11    40     1.53862   120.50859    -4.11342
   43    42 S   HC   _H33    41     1.09213   113.74203    28.91595
   44    40 S   CT   _C19    65     1.55145   111.31326   179.24879
   45    44 S   HC   _H41    66     1.09875   111.71172   -52.47821
   46    44 S   HC   _H42    67     1.09917   111.87047  -172.55284
   47    44 S   HC   _H43    68     1.09329   112.78305    67.76251
   48    42 S   CM   _C4_    42     1.49446    99.61270   -89.49477
   49    42 S   CT   _C14    49     1.55564   115.10584   152.67570
   50    49 S   HC   _H36    50     1.09948   107.34611   158.22005
   51    48 S   CO4  _C5_    43     1.47364   109.04451   -25.05567
   52    51 S   O    _O19    44     1.21688   127.24128  -168.36655
   53    48 S   CM   _C6_    46     1.33540   128.42154   152.35159
   54    53 S   HC   _H25    47     1.08489   120.74874     1.33647
   55    53 S   HC   _H26    48     1.08505   121.68295  -178.41872
   56    49 S   CT   _C10    51     1.54464   113.39247   -84.47677
   57    56 S   HC   _H31    52     1.09690   109.27004  -175.89387
   58    56 S   HC   _H32    53     1.09795   108.38714   -60.81752
   59    49 S   OS   _O23    74     1.44329   110.44033    40.05498
   60    38 S   OS   _O21    45     1.45794   106.89623  -122.50276
   61    56 S   C3T  _C17    54     1.50891   115.00002    62.46134
   62    59 S   CO4  _C7_    75     1.36185   117.87832   150.84497
   63    62 S   O    _O20    76     1.22291   126.49075     0.48295
   64    61 S   C3T  _C12    55     1.52774   118.00986   -85.60968
   65    64 S   HC   _H34    56     1.08083   120.52375    -0.42151
   66    61 S   CT   _C20    70     1.50275   117.13921    76.56076
   67    66 S   HC   _H44    71     1.09536   112.00933   156.17140
   68    66 S   HC   _H45    72     1.09500   110.78242    36.84174
   69    66 S   HC   _H46    73     1.09352   110.95989   -83.31856
   70    62 S   CT   _C18    77     1.49824   109.37775  -179.75611
   71    70 S   HC   _H38    78     1.09289   109.79635   -62.07569
   72    70 S   HC   _H39    79     1.09373   109.37396   178.79862
   73    70 S   HC   _H40    80     1.09299   109.82329    59.79637
   74    64 S   CT   _C8_    57     1.49496   122.60070   157.33691
   75    74 S   HC   _H27    58     1.09819   107.23707   106.47027
   76    74 S   HC   _H28    59     1.09268   112.12400    -9.06794
   77    61 S   O3T  _O22    69     1.43524   113.89777  -150.63622
   78    74 S   CT   _C9_    60     1.53761   114.14695  -135.13667
   79    78 S   HC   _H29    61     1.10337   104.62659  -162.15025
   80    78 S   HC   _H30    62     1.09872   108.66290   -51.18383
  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  10   5   4   3
  19   8   2   1   1  16   7  14   8  16   8   7   3   2   1  10
  15   6   5   2   3   1   1  13   6   5   7   1  11   5   4  12
   6   5   3   2   1   3   2   1   1   6   5   4   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    60    78    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    51    60    49    74    78    79    80    40    41    44    45    46    47  
   38    39    42    60    78    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    51    52    60    53    49    50    56    78    40    41    44    59  
   42    43    48    51    60    49    40  
   41    44    45    46    47    42    60    64    74    75    76    78    79    80  
   44    45    46    47    74    78    79    80  
   43    48    51    52    60    53    54    55    49    50    56    57    58    61    59    62  
   48    51    60    53    49    50    56    59  
   45    46    47    74    78    79    80  
   46    47    78  
   47    78  
   78  
   51    52    60    53    54    55    49    50    56    59  
   50    56    57    58    61    64    77    66    59    62    63    70    51    53    60  
   56    57    58    61    59    62  
   52    60    53    54    55  
   60    53  
   54    55    60  
   55  
    0  
   57    58    61    64    65    74    77    66    67    68    69    59    62  
   58    61    64    77    66    59  
   61    64    77    66    59  
   62    63    70    71    72    73    61  
    0  
   64    65    74    75    76    78    77    66    67    68    69  
   63    70    71    72    73  
   70    71    72    73  
   65    74    75    76    78    79    80    77    66    67    68    69  
   74    75    76    78    77    66  
   67    68    69    74    77  
   68    69    77  
   69    77  
   77  
   71    72    73  
   72    73  
   73  
    0  
   75    76    78    79    80    77  
   76    78    79    80    77  
   78    79    80    77  
   78  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   78   3.5000   0.0660  -0.120000   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
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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    60   320.000  1.410
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   268.000  1.529
   48    51   320.000  1.462
   48    53   549.000  1.340
   51    52   570.000  1.229
   51    60   214.000  1.327
   53    54   340.000  1.080
   53    55   340.000  1.080
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   275.000  1.510
   61    64   260.000  1.509
   61    77   335.000  1.432
   61    66   275.000  1.510
   64    65   340.000  1.088
   64    74   275.000  1.510
   64    77   335.000  1.432
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    60    50.00000  109.50000
   33    40    78    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    48    70.00000  112.02700
   38    42    49    58.35000  112.70000
   38    60    51    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    48    51    65.00000  116.34900
   42    48    53    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    56    58.35000  112.70000
   42    49    59    50.00000  109.50000
   48    42    43    35.00000  109.50000
   48    51    52    80.00000  123.72100
   48    51    60    90.00000  111.29400
   48    53    54    35.00000  120.00000
   48    53    55    35.00000  120.00000
   60    38    39    35.00000  109.50000
   60    38    42    50.00000  109.50000
   60    51    52    83.00000  123.40000
   53    48    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
   49    42    43    37.50000  110.70000
   49    42    48    70.00000  112.02700
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    61    70.00000  112.37300
   49    59    62    83.00000  116.90000
   56    49    50    37.50000  110.70000
   56    61    64    60.00000  120.94000
   56    61    77    80.00000  116.47100
   56    61    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    45.00000  109.38400
   61    56    58    45.00000  109.38400
   61    64    65    37.50000  117.20000
   61    64    74    60.00000  120.94000
   61    64    77    15.00000   60.43100
   61    77    64    15.00000   59.14900
   61    66    67    45.00000  109.38400
   61    66    68    45.00000  109.38400
   61    66    69    45.00000  109.38400
   64    74    75    45.00000  109.38400
   64    74    76    45.00000  109.38400
   64    74    78    70.00000  112.37300
   74    64    65    40.00000  115.04500
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    40    58.35000  112.70000
   76    74    75    33.00000  107.80000
   78    74    75    37.50000  110.70000
   78    74    76    37.50000  110.70000
   78    40    41    50.00000  109.50000
   78    40    44    58.35000  112.70000
   80    78    79    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    78    79    37.50000  110.70000
   40    78    80    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   77    61    64    15.00000   60.43100
   77    64    65    50.00000  114.27700
   77    64    74    80.00000  116.47100
   66    61    64    60.00000  120.94000
   66    61    77    80.00000  116.47100
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   59    49    50    35.00000  109.50000
   59    49    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    70    81.00000  111.40000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   70    62    63    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    60   0.56750  1.0 1.0
   29    33    38    60  -0.07550 -1.0 2.0
   29    33    38    60   0.20000  1.0 3.0
   29    33    40    78   0.44750  1.0 1.0
   29    33    40    78  -0.17800 -1.0 2.0
   29    33    40    78   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    60    51  -0.25900  1.0 1.0
   33    38    60    51  -0.47000 -1.0 2.0
   33    38    60    51   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    60   0.23400  1.0 3.0
   34    33    40    78   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    78   0.56750  1.0 1.0
   38    33    40    78  -0.07550 -1.0 2.0
   38    33    40    78   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -48    51   0.09700  1.0 1.0
   38    42   -48    51   0.15600 -1.0 2.0
   38    42   -48    51  -0.50800  1.0 3.0
   38    42    48    53   0.09850  1.0 1.0
   38    42    48    53   0.15250 -1.0 2.0
   38    42    48    53  -0.50650  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    56   0.56750  1.0 1.0
   38    42    49    56  -0.07550 -1.0 2.0
   38    42    49    56   0.20000  1.0 3.0
   38    42    49    59   0.62750  1.0 1.0
   38    42    49    59  -0.30950 -1.0 2.0
   38    42    49    59   0.27300  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    60    51   0.08050  1.0 3.0
   42    38   -60    51  -0.25900  1.0 1.0
   42    38   -60    51  -0.47000 -1.0 2.0
   42    38   -60    51   0.11750  1.0 3.0
   42    48    51    52  -0.64400  1.0 1.0
   42    48    51    52   0.26850 -1.0 2.0
   42    48   -51    60  -0.15000  1.0 1.0
   42    48   -51    60   0.89550 -1.0 2.0
   42    48   -51    60  -0.06900  1.0 3.0
   42    48    53    54   7.00000 -1.0 2.0
   42    48    53    55   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    61   0.47050  1.0 1.0
   42    49    56    61   0.03900 -1.0 2.0
   42    49    56    61   0.20100  1.0 3.0
   42    49    59    62  -0.25900  1.0 1.0
   42    49    59    62  -0.47000 -1.0 2.0
   42    49    59    62   0.11750  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    42    48    53   0.00000  1.0 1.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    59   0.23400  1.0 3.0
   48    42    49    50   0.15000  1.0 3.0
   48    42    49    56   0.34400  1.0 1.0
   48    42    49    56   0.09450 -1.0 2.0
   48    42    49    56   0.11100  1.0 3.0
   48    42    49    59   0.61850  1.0 1.0
   48    42    49    59  -0.22750 -1.0 2.0
   48    42    49    59   0.15300  1.0 3.0
   48    51   -60    38   2.00000 -1.0 2.0
   51    48    53    54   7.00000 -1.0 2.0
   51    48    53    55   7.00000 -1.0 2.0
   52    51    60    38   3.00000 -1.0 2.0
   60    38    42    43   0.23400  1.0 3.0
   60    38   -42    48   0.61850  1.0 1.0
   60    38   -42    48  -0.22750 -1.0 2.0
   60    38   -42    48   0.15300  1.0 3.0
   60    38    42    49   0.62750  1.0 1.0
   60    38    42    49  -0.30950 -1.0 2.0
   60    38    42    49   0.27300  1.0 3.0
   53    48    51    52   1.00000 -1.0 2.0
   53    48    51    60  -0.56150  1.0 1.0
   53    48    51    60   2.19150 -1.0 2.0
   49    42    48    51   0.09700  1.0 1.0
   49    42    48    51   0.15600 -1.0 2.0
   49    42    48    51  -0.50800  1.0 3.0
   49    42    48    53   0.09850  1.0 1.0
   49    42    48    53   0.15250 -1.0 2.0
   49    42    48    53  -0.50650  1.0 3.0
   49    56    61    64   0.07850  1.0 1.0
   49    56    61    64  -0.03950 -1.0 2.0
   49    56    61    64   0.67350  1.0 3.0
   49    56    61    77   0.02550  1.0 1.0
   49    56    61    77  -0.02600 -1.0 2.0
   49    56    61    77   1.20400  1.0 3.0
   49    56    61    66   0.56750  1.0 1.0
   49    56    61    66  -0.07550 -1.0 2.0
   49    56    61    66   0.20000  1.0 3.0
   49    59    62    63   3.00000 -1.0 2.0
   49    59    62    70   1.63150  1.0 1.0
   49    59    62    70   2.92000 -1.0 2.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    61   0.15000  1.0 3.0
   50    49    59    62   0.08050  1.0 3.0
   56    49    59    62  -0.25900  1.0 1.0
   56    49    59    62  -0.47000 -1.0 2.0
   56    49    59    62   0.11750  1.0 3.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    74   0.56750  1.0 1.0
   56    61    64    74  -0.07550 -1.0 2.0
   56    61    64    74   0.20000  1.0 3.0
   56    61   -64    77   0.02550  1.0 1.0
   56    61   -64    77  -0.02600 -1.0 2.0
   56    61   -64    77   1.20400  1.0 3.0
   56    61   -77    64   0.06250  1.0 1.0
   56    61   -77    64  -0.01100 -1.0 2.0
   56    61   -77    64   0.28050  1.0 3.0
   56    61    66    67   0.15000  1.0 3.0
   56    61    66    68   0.15000  1.0 3.0
   56    61    66    69   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   57    56    61    77   0.23400  1.0 3.0
   57    56    61    66   0.15000  1.0 3.0
   58    56    61    64   0.15000  1.0 3.0
   58    56    61    77   0.23400  1.0 3.0
   58    56    61    66   0.15000  1.0 3.0
   61    64    74    75   0.15000  1.0 3.0
   61    64    74    76   0.15000  1.0 3.0
   61    64    74    78   0.07850  1.0 1.0
   61    64    74    78  -0.03950 -1.0 2.0
   61    64    74    78   0.67350  1.0 3.0
   64    61    66    67   0.15000  1.0 3.0
   64    61    66    68   0.15000  1.0 3.0
   64    61    66    69   0.15000  1.0 3.0
   64    74    78    79   0.15000  1.0 3.0
   64    74    78    80   0.15000  1.0 3.0
   64    74    78    40   0.47050  1.0 1.0
   64    74    78    40   0.03900 -1.0 2.0
   64    74    78    40   0.20100  1.0 3.0
   65    64    74    75   0.15000  1.0 3.0
   65    64    74    76   0.15000  1.0 3.0
   65    64    74    78   0.15000  1.0 3.0
   65    64   -77    61   0.36800  1.0 3.0
   74    64   -77    61   0.06250  1.0 1.0
   74    64   -77    61  -0.01100 -1.0 2.0
   74    64   -77    61   0.28050  1.0 3.0
   74    78    40    33   0.56750  1.0 1.0
   74    78    40    33  -0.07550 -1.0 2.0
   74    78    40    33   0.20000  1.0 3.0
   74    78    40    41   0.62750  1.0 1.0
   74    78    40    41  -0.30950 -1.0 2.0
   74    78    40    41   0.27300  1.0 3.0
   74    78    40    44   0.56750  1.0 1.0
   74    78    40    44  -0.07550 -1.0 2.0
   74    78    40    44   0.20000  1.0 3.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   75    74    78    40   0.15000  1.0 3.0
   76    74    78    79   0.15000  1.0 3.0
   76    74    78    80   0.15000  1.0 3.0
   76    74    78    40   0.15000  1.0 3.0
   78    40    44    45   0.15000  1.0 3.0
   78    40    44    46   0.15000  1.0 3.0
   78    40    44    47   0.15000  1.0 3.0
   79    78    40    33   0.15000  1.0 3.0
   79    78    40    41   0.23400  1.0 3.0
   79    78    40    44   0.15000  1.0 3.0
   80    78    40    33   0.15000  1.0 3.0
   80    78    40    41   0.23400  1.0 3.0
   80    78    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    60   0.62750  1.0 1.0
   40    33    38    60  -0.30950 -1.0 2.0
   40    33    38    60   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   77    61   -64    65   0.23400  1.0 3.0
   77    61   -64    74   0.02550  1.0 1.0
   77    61   -64    74  -0.02600 -1.0 2.0
   77    61   -64    74   1.20400  1.0 3.0
   77    61    66    67   0.23400  1.0 3.0
   77    61    66    68   0.23400  1.0 3.0
   77    61    66    69   0.23400  1.0 3.0
   77    64    74    75   0.23400  1.0 3.0
   77    64    74    76   0.23400  1.0 3.0
   77    64    74    78   0.02550  1.0 1.0
   77    64    74    78  -0.02600 -1.0 2.0
   77    64    74    78   1.20400  1.0 3.0
   66    61    64    65   0.15000  1.0 3.0
   66    61    64    74   0.56750  1.0 1.0
   66    61    64    74  -0.07550 -1.0 2.0
   66    61    64    74   0.20000  1.0 3.0
   66    61   -64    77   0.02550  1.0 1.0
   66    61   -64    77  -0.02600 -1.0 2.0
   66    61   -64    77   1.20400  1.0 3.0
   66    61   -77    64   0.06250  1.0 1.0
   66    61   -77    64  -0.01100 -1.0 2.0
   66    61   -77    64   0.28050  1.0 3.0
   59    49    56    57   0.23400  1.0 3.0
   59    49    56    58   0.23400  1.0 3.0
   59    49    56    61  -0.26800  1.0 1.0
   59    49    56    61   0.69150 -1.0 2.0
   59    49    56    61  -0.48750  1.0 3.0
   59    62    70    71   0.00000  1.0 1.0
   59    62    70    72   0.00000  1.0 1.0
   59    62    70    73   0.00000  1.0 1.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    70    72   0.00000  1.0 1.0
   63    62    70    73   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    51    48    53   1.10000 -1.0 2.0
   48    60    51    52  10.50000 -1.0 2.0
   54    55    53    48   1.10000 -1.0 2.0
   59    70    62    63  10.50000 -1.0 2.0
END
