* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    149    227     431
    1     0 S   NP   _N1_     1    29.30780    99.67143   -18.15229
    2     1 S   H    _HN1     2     1.02955    69.06214    31.67252
    3     1 S   H    _H1_     3     1.02834    62.02635   155.72704
    4     1 S   H    _H2_     4     1.02780    75.76557   -84.69077
    5     1 S   CT   _CA1     5     1.50171   171.21559   119.61094
    6     5 S   HC   _HA1     6     1.09601   105.08060    92.97908
    7     5 S   CO3  _C1_     7     1.53583   112.32929   -26.72471
    8     7 S   O2Z  _O11     8     1.26317   115.03643   -46.26920
    9     7 S   O2Z  _O12     9     1.26234   114.84842   132.42935
   10     5 S   CT   _CB1    10     1.53047   107.33156  -149.64261
   11    10 S   HC   HB11    11     1.09812   108.56145   -53.81249
   12    10 S   HC   HB12    12     1.09788   110.66012    62.36101
   13    10 S   CT   _CG1    13     1.53090   112.94333  -175.18452
   14    13 S   HC   HG11    14     1.09562   110.42328   -73.06848
   15    13 S   HC   HG12    15     1.09685   109.94611    45.94369
   16    13 S   C    _CD1    16     1.51952   112.36315   165.47646
   17    16 S   O    _OE1    17     1.22781   123.23237    -3.29883
   18    16 S   N    _N2_    18     1.38639   111.90387   178.40590
   19    18 S   H    _HN2    19     1.01568   118.86190     0.98397
   20    18 S   CT1  _CA2    20     1.45827   122.58470   170.52506
   21    20 S   HC   _HA2    21     1.09711   109.28133    19.12916
   22    20 S   C    _C2_    22     1.52991   106.37361   -97.41257
   23    22 S   O    _O2_    23     1.22988   123.00764   -28.11275
   24    20 S   CT   _CB2    32     1.52966   112.59444   143.09692
   25    24 S   HC   HB21    33     1.09521   110.56218    49.36765
   26    24 S   HC   HB22    34     1.09547   110.36173   167.36018
   27    22 S   N    _N3_    24     1.38488   112.60477   154.71220
   28    27 S   H    _HN3    25     1.01657   120.36432    -2.14867
   29    24 S   S    _SG2    35     1.82734   111.30049   -74.55487
   30    27 S   CT   _CA3    26     1.45361   122.49042   178.59208
   31    30 S   HC   HA31    27     1.09566   107.82581   -55.64792
   32    30 S   HC   HA32    28     1.09562   107.59765    60.68993
   33    29 S   CT   _C12    36     1.84896   100.42450   115.72137
   34    33 S   HC   _H3_    37     1.08786   102.90602   -48.80792
   35    30 S   CO3  _C3_    29     1.52892   114.31549  -177.53582
   36    35 S   O2Z  _O31    30     1.26337   116.04870     0.81373
   37    35 S   O2Z  _O32    31     1.26434   114.41469  -179.23485
   38    33 S   CM   _C4_    38     1.53453   108.66553  -167.18254
   39    33 S   CT   _C10    51     1.54876   111.97791    67.74679
   40    39 S   HC   _H26    52     1.09601   111.28957    95.09225
   41    39 S   HC   _H27    53     1.09725   110.93661   -21.34120
   42    38 S   CMA  _C5_    39     1.36706   125.85319   117.43665
   43    42 S   OM   _O18    40     1.26858   128.13615   177.00396
   44    38 S   CT   _C17    76     1.52784   115.30472   -65.90429
   45    44 S   HC   _H34    77     1.09504   110.02850   -85.28202
   46    44 S   HC   _H35    78     1.09514   112.62938   154.22827
   47    44 S   HC   _H36    79     1.09320   112.32677    34.95709
   48    42 S   CT   _C13    41     1.55722   120.95467    -0.97659
   49    48 S   HC   _H31    42     1.09429   112.04200   -30.90906
   50    48 S   C4T  _C15    43     1.54101   108.49899    90.44016
   51    50 S   HC   _H33    44     1.10225   109.97745    42.76182
   52    48 S   OS   _O20    69     1.45332   112.25093  -150.88465
   53    50 S   C4T  _C14    45     1.56383   115.59531   -86.65188
   54    53 S   HC   _H32    46     1.10022   111.75966   -39.04311
   55    50 S   C4T  _C16    60     1.58396   120.89712   171.54474
   56    52 S   CO4  _C8_    70     1.36250   117.35637    84.88434
   57    56 S   O    _O19    71     1.22352   126.68076     1.52444
   58    53 S   CM   _C6_    47     1.49429   117.91674    89.11871
   59    53 S   C4T  _C11    57     1.54643    87.64409  -148.58588
   60    59 S   HC   _H28    58     1.09482   115.13389   143.68608
   61    59 S   HC   _H29    59     1.09644   115.52882   -89.52161
   62    55 S   CT   _C19    61     1.53006   117.57961    28.66960
   63    62 S   HC   _H40    62     1.09432   110.88603   -74.79097
   64    62 S   HC   _H41    63     1.09560   110.63375   165.89792
   65    62 S   HC   _H42    64     1.09426   112.46769    45.78021
   66    55 S   CT   _C20    65     1.52819   113.49763  -102.77160
   67    66 S   HC   _H43    66     1.09525   110.82670    72.80911
   68    66 S   HC   _H44    67     1.09543   111.72236   -47.20713
   69    66 S   HC   _H45    68     1.09535   110.89621  -167.17275
   70    56 S   CT   _C18    72     1.49829   109.36213  -177.35899
   71    70 S   HC   _H37    73     1.09321   110.02750   -50.25386
   72    70 S   HC   _H38    74     1.09373   109.34220  -168.90578
   73    70 S   HC   _H39    75     1.09255   109.68341    71.45064
   74    58 S   CT   _C9_    48     1.51023   116.95999  -126.04329
   75    74 S   HC   _H24    49     1.09842   109.43180  -147.69891
   76    74 S   HC   _H25    50     1.09782   109.25699   -33.46411
   77    58 S   CM   _C7_    54     1.34142   121.28406    55.46135
   78    77 S   HC   _H22    55     1.08430   122.32969    -1.25445
   79    77 S   HC   _H23    56     1.08535   120.89423   179.54372
  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
  16   7   2   1   1  14  10   5   4  13   5   4   2   1   1  14
   6  20   8   8  14   7  12   5   4   9  12   3   2   7   3   2
   1   3   2   1   1   3   2   1   1   5   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    74    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    48    58    74    75    76    39    40    41    44    45    46    47  
   38    42    74    39    40    41    44  
   36    37  
   37  
    0  
   42    43    48    49    50    74    39    40    41    52    44    45    46    47  
   40    41    77    44    42    53    58    74    75    76  
   41    58    74    75    76  
   58    74    75    76  
   43    48    49    50    51    53    55    52    56    44    45    46    47  
   48    49    50    52    44  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    53    54    58    59    55    62    66    52    56    57    70  
   50    51    53    55    52    56  
   51    53    54    58    74    77    59    60    61    55    62    63    64    65    66    67    68    69    52    56  
   53    54    58    59    55    62    66    52  
   56    57    70    71    72    73    53    55  
   54    58    74    75    76    77    78    79    59    60    61    55    62    66  
   58    74    77    59    60    61    55  
   62    63    64    65    66    67    68    69    58    59    60    61  
   57    70    71    72    73  
   70    71    72    73  
   74    75    76    77    78    79    59    60    61  
   60    61    62    63    64    65    66    67    68    69    74    77  
   61    62    66  
   62    66  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77  
   77  
   78    79  
   79  
    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  -0.120000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.121200   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   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    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   260.000  1.519
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    55   268.000  1.529
   53    54   340.000  1.090
   53    58   317.000  1.510
   53    59   268.000  1.529
   58    74   317.000  1.510
   58    77   549.000  1.340
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   77    78   340.000  1.080
   77    79   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    55   268.000  1.529
   55    62   260.000  1.519
   55    66   260.000  1.519
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    56   214.000  1.327
   56    57   570.000  1.229
   56    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    74    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    48    49    45.00000  110.52000
   42    48    50    70.00000  112.02700
   42    48    52    85.00000  110.90400
   48    42    43    85.00000  112.85300
   48    50    51    45.00000  112.72800
   48    50    53    65.00000  119.52000
   48    50    55    65.00000  119.52000
   48    52    56    83.00000  116.90000
   50    48    49    45.00000  111.22300
   50    53    54    37.50000  110.70000
   50    53    58    70.00000  112.02700
   50    53    59    63.00000   92.00000
   50    55    59    63.00000   92.00000
   50    55    62    65.00000  119.52000
   50    55    66    65.00000  119.52000
   53    50    51    37.50000  110.70000
   53    58    74    65.00000  117.92700
   53    58    77    70.00000  124.00000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    55    63.00000   92.00000
   58    53    54    35.00000  109.50000
   58    74    75    35.00000  109.50000
   58    74    76    35.00000  109.50000
   58    74    39    70.00000  112.02700
   58    77    78    35.00000  120.00000
   58    77    79    35.00000  120.00000
   74    39    40    37.50000  110.70000
   74    39    41    37.50000  110.70000
   76    74    75    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    74    75    37.50000  110.70000
   39    74    76    37.50000  110.70000
   41    39    40    33.00000  107.80000
   77    58    74    70.00000  124.00000
   79    77    78    35.00000  117.00000
   59    53    54    37.50000  110.70000
   59    53    58    70.00000  112.02700
   59    55    62    65.00000  119.52000
   59    55    66    65.00000  119.52000
   61    59    60    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    53    63.00000   92.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    62    63    45.00000  111.22300
   55    62    64    45.00000  111.22300
   55    62    65    45.00000  111.22300
   55    66    67    45.00000  111.22300
   55    66    68    45.00000  111.22300
   55    66    69    45.00000  111.22300
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    55    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    56    57    83.00000  123.40000
   52    56    70    81.00000  111.40000
   56    70    71    35.00000  109.50000
   56    70    72    35.00000  109.50000
   56    70    73    35.00000  109.50000
   70    56    57    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
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    74   0.44750  1.0 1.0
   29    33    39    74  -0.17800 -1.0 2.0
   29    33    39    74   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    74   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    74   0.34400  1.0 1.0
   38    33    39    74   0.09450 -1.0 2.0
   38    33    39    74   0.11100  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    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    52   0.39000  1.0 1.0
   38    42    48    52  -0.05800 -1.0 2.0
   38    42    48    52  -0.55150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    53   0.34400  1.0 1.0
   42    48    50    53   0.09450 -1.0 2.0
   42    48    50    53   0.11100  1.0 3.0
   42    48    50    55   0.34400  1.0 1.0
   42    48    50    55   0.09450 -1.0 2.0
   42    48    50    55   0.11100  1.0 3.0
   42    48    52    56  -0.82050  1.0 1.0
   42    48    52    56   0.00600 -1.0 2.0
   42    48    52    56   0.04400  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.09700  1.0 1.0
   43    42    48    50   0.15600 -1.0 2.0
   43    42    48    50  -0.50800  1.0 3.0
   43    42    48    52   0.09700  1.0 1.0
   43    42    48    52   0.15600 -1.0 2.0
   43    42    48    52  -0.50800  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    58   0.34400  1.0 1.0
   48    50    53    58   0.09450 -1.0 2.0
   48    50    53    58   0.11100  1.0 3.0
   48    50    53    59  -0.70950  1.0 1.0
   48    50    53    59   0.38400 -1.0 2.0
   48    50   -55    59  -0.70950  1.0 1.0
   48    50   -55    59   0.38400 -1.0 2.0
   48    50    55    62   0.56750  1.0 1.0
   48    50    55    62  -0.07550 -1.0 2.0
   48    50    55    62   0.20000  1.0 3.0
   48    50    55    66   0.56750  1.0 1.0
   48    50    55    66  -0.07550 -1.0 2.0
   48    50    55    66   0.20000  1.0 3.0
   48    52    56    57   3.00000 -1.0 2.0
   48    52    56    70   1.63150  1.0 1.0
   48    52    56    70   2.92000 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.00000  1.0 1.0
   49    48    50    55   0.00000  1.0 1.0
   49    48    52    56   0.08050  1.0 3.0
   50    48    52    56  -0.25900  1.0 1.0
   50    48    52    56  -0.47000 -1.0 2.0
   50    48    52    56   0.11750  1.0 3.0
   50    53    58    74   0.46850  1.0 1.0
   50    53    58    74   0.08550 -1.0 2.0
   50    53    58    74   0.09800  1.0 3.0
   50    53    58    77   0.09850  1.0 1.0
   50    53    58    77   0.15250 -1.0 2.0
   50    53    58    77  -0.50650  1.0 3.0
   50    53    59    60   0.15000  1.0 3.0
   50    53    59    61   0.15000  1.0 3.0
   50    53   -59    55   0.00000  1.0 1.0
   50    55    62    63   0.00000  1.0 1.0
   50    55    62    64   0.00000  1.0 1.0
   50    55    62    65   0.00000  1.0 1.0
   50    55    66    67   0.00000  1.0 1.0
   50    55    66    68   0.00000  1.0 1.0
   50    55    66    69   0.00000  1.0 1.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    58   0.15000  1.0 3.0
   51    50    53    59   0.15000  1.0 3.0
   51    50   -55    59   0.15000  1.0 3.0
   51    50    55    62   0.15000  1.0 3.0
   51    50    55    66   0.15000  1.0 3.0
   53    50   -55    59   0.00000  1.0 1.0
   53    50    55    62  -0.70950  1.0 1.0
   53    50    55    62   0.38400 -1.0 2.0
   53    50    55    66  -0.70950  1.0 1.0
   53    50    55    66   0.38400 -1.0 2.0
   53    58    74    75   0.34800  1.0 3.0
   53    58    74    76   0.34800  1.0 3.0
   53    58    74    39   0.46850  1.0 1.0
   53    58    74    39   0.08550 -1.0 2.0
   53    58    74    39   0.09800  1.0 3.0
   53    58    77    78   7.00000 -1.0 2.0
   53    58    77    79   7.00000 -1.0 2.0
   53    59   -55    50   0.00000  1.0 1.0
   53    59   -55    62  -0.70950  1.0 1.0
   53    59   -55    62   0.38400 -1.0 2.0
   53    59   -55    66  -0.70950  1.0 1.0
   53    59   -55    66   0.38400 -1.0 2.0
   54    53    58    74   0.34800  1.0 3.0
   54    53    58    77   0.00000  1.0 1.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    55   0.15000  1.0 3.0
   58    53    59    60   0.15000  1.0 3.0
   58    53    59    61   0.15000  1.0 3.0
   58    53    59    55   0.34400  1.0 1.0
   58    53    59    55   0.09450 -1.0 2.0
   58    53    59    55   0.11100  1.0 3.0
   58    74    39    33   0.34400  1.0 1.0
   58    74    39    33   0.09450 -1.0 2.0
   58    74    39    33   0.11100  1.0 3.0
   58    74    39    40   0.15000  1.0 3.0
   58    74    39    41   0.15000  1.0 3.0
   74    58    77    78   7.00000 -1.0 2.0
   74    58    77    79   7.00000 -1.0 2.0
   75    74    39    33   0.15000  1.0 3.0
   75    74    39    40   0.15000  1.0 3.0
   75    74    39    41   0.15000  1.0 3.0
   76    74    39    33   0.15000  1.0 3.0
   76    74    39    40   0.15000  1.0 3.0
   76    74    39    41   0.15000  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   77    58    74    75   0.00000  1.0 1.0
   77    58    74    76   0.00000  1.0 1.0
   77    58    74    39   0.09850  1.0 1.0
   77    58    74    39   0.15250 -1.0 2.0
   77    58    74    39  -0.50650  1.0 3.0
   59    53    58    74   0.46850  1.0 1.0
   59    53    58    74   0.08550 -1.0 2.0
   59    53    58    74   0.09800  1.0 3.0
   59    53    58    77   0.09850  1.0 1.0
   59    53    58    77   0.15250 -1.0 2.0
   59    53    58    77  -0.50650  1.0 3.0
   59    55    62    63   0.00000  1.0 1.0
   59    55    62    64   0.00000  1.0 1.0
   59    55    62    65   0.00000  1.0 1.0
   59    55    66    67   0.00000  1.0 1.0
   59    55    66    68   0.00000  1.0 1.0
   59    55    66    69   0.00000  1.0 1.0
   60    59   -55    50   0.15000  1.0 3.0
   60    59    55    62   0.15000  1.0 3.0
   60    59    55    66   0.15000  1.0 3.0
   61    59   -55    50   0.15000  1.0 3.0
   61    59    55    62   0.15000  1.0 3.0
   61    59    55    66   0.15000  1.0 3.0
   55    50   -53    54   0.15000  1.0 3.0
   55    50   -53    58   0.34400  1.0 1.0
   55    50   -53    58   0.09450 -1.0 2.0
   55    50   -53    58   0.11100  1.0 3.0
   55    50   -53    59   0.00000  1.0 1.0
   62    55    66    67   0.15000  1.0 3.0
   62    55    66    68   0.15000  1.0 3.0
   62    55    66    69   0.15000  1.0 3.0
   66    55    62    63   0.15000  1.0 3.0
   66    55    62    64   0.15000  1.0 3.0
   66    55    62    65   0.15000  1.0 3.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.62750  1.0 1.0
   52    48    50    53  -0.30950 -1.0 2.0
   52    48    50    53   0.27300  1.0 3.0
   52    48    50    55   0.62750  1.0 1.0
   52    48    50    55  -0.30950 -1.0 2.0
   52    48    50    55   0.27300  1.0 3.0
   52    56    70    71   0.00000  1.0 1.0
   52    56    70    72   0.00000  1.0 1.0
   52    56    70    73   0.00000  1.0 1.0
   57    56    70    71   0.00000  1.0 1.0
   57    56    70    72   0.00000  1.0 1.0
   57    56    70    73   0.00000  1.0 1.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    48   7.00000 -1.0 2.0
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
   33    44    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   53    74    58    77   1.10000 -1.0 2.0
   78    79    77    58   1.10000 -1.0 2.0
   52    70    56    57  10.50000 -1.0 2.0
END
