* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    148    222     437
    1     0 S   NP   _N1_     1    28.80825    93.95404   -24.71039
    2     1 S   H    _HN1     2     1.02952    82.58774    19.68122
    3     1 S   H    _H1_     3     1.02831    25.25675  -174.51541
    4     1 S   H    _H2_     4     1.02785   111.10581   -87.20114
    5     1 S   CT   _CA1     5     1.50130   127.08264   129.69833
    6     5 S   HC   _HA1     6     1.09568   105.19951    81.44913
    7     5 S   CO3  _C1_     7     1.53787   112.38367   -38.82867
    8     7 S   O2Z  _O11     8     1.26374   114.97731   -42.90600
    9     7 S   O2Z  _O12     9     1.26224   114.95289   136.09746
   10     5 S   CT   _CB1    10     1.53057   107.42230  -160.50939
   11    10 S   HC   HB11    11     1.09831   109.43608   -48.84445
   12    10 S   HC   HB12    12     1.09821   110.42860    67.79178
   13    10 S   CT   _CG1    13     1.52995   112.60404  -169.79845
   14    13 S   HC   HG11    14     1.09586   110.59219   -64.57758
   15    13 S   HC   HG12    15     1.09660   109.86966    54.69865
   16    13 S   C    _CD1    16     1.51789   112.14843   175.15463
   17    16 S   O    _OE1    17     1.22749   123.21959     5.20899
   18    16 S   N    _N2_    18     1.38617   111.70672  -175.09955
   19    18 S   H    _HN2    19     1.01582   119.10926     1.46727
   20    18 S   CT1  _CA2    20     1.46272   123.37515   179.96044
   21    20 S   HC   _HA2    21     1.09743   109.26163    -0.74782
   22    20 S   C    _C2_    22     1.53461   108.88825  -116.30589
   23    22 S   O    _O2_    23     1.23059   122.29035  -150.03845
   24    20 S   CT   _CB2    32     1.53500   111.48757   121.00508
   25    24 S   HC   HB21    33     1.09491   109.46889    58.88265
   26    24 S   HC   HB22    34     1.09443   109.89373   177.79771
   27    22 S   N    _N3_    24     1.38347   113.67440    37.56119
   28    27 S   H    _HN3    25     1.01602   119.49667    -3.71620
   29    24 S   S    _SG2    35     1.83219   110.63842   -62.58403
   30    27 S   CT   _CA3    26     1.45268   123.17259   176.97282
   31    30 S   HC   HA31    27     1.09551   107.54419   -63.68151
   32    30 S   HC   HA32    28     1.09559   107.93291    52.72844
   33    29 S   CT   _C13    36     1.86605   102.53013   170.30438
   34    33 S   OM   _O35    37     1.31728   109.27267   -60.25467
   35    30 S   CO3  _C3_    29     1.52940   114.13298   174.72534
   36    35 S   O2Z  _O31    30     1.26368   116.09444     0.11014
   37    35 S   O2Z  _O32    31     1.26433   114.40074  -179.84677
   38    33 S   CT   _C12    38     1.54681   108.95904    59.34837
   39    38 S   HC   _H12    39     1.10061   109.86487    45.81725
   40    38 S   HC   _H13    40     1.09989   112.23341   -70.52144
   41    38 S   CT   _C11    41     1.53500   113.91726   166.26406
   42    41 S   HC   _H4_    42     1.09472   110.64434    68.69559
   43    41 S   CT   _C10    43     1.52393   111.30517   -54.49830
   44    43 S   HC   _H10    44     1.09717   110.14013  -176.54475
   45    43 S   HC   _H11    45     1.10025   109.15750   -63.99162
   46    41 S   OH   _O36    81     1.42722   109.01475  -173.81040
   47    46 S   HO   _H14    82     0.97234   107.26830   -60.60982
   48    43 S   CT   _C9_    46     1.54079   113.13219    58.18299
   49    33 S   CT   _C8_    47     1.56895   107.50877   178.53767
   50    49 S   HC   _H3_    48     1.10422   105.48663   -52.98800
   51    48 S   CT   _C14    60     1.54580   112.09566    72.81580
   52    51 S   HC   _H15    61     1.09548   111.26859   174.78031
   53    51 S   HC   _H16    62     1.09244   111.95483   -65.84160
   54    48 S   OH   _O40    79     1.44013   105.84216  -169.31270
   55    54 S   HO   _H23    80     0.97241   108.27593  -162.38912
   56    49 S   CO4  _C7_    49     1.54836   114.30375    60.42410
   57    56 S   O    _O34    50     1.23110   122.75398    67.31064
   58    51 S   CO4  _C15    63     1.52540   113.77748    56.88135
   59    58 S   O    _O37    64     1.23164   120.71420    65.26645
   60    56 S   CT   _C6_    51     1.51599   116.43102  -114.65904
   61    60 S   HC   _H8_    52     1.09411   110.26333    41.44283
   62    60 S   HC   _H9_    53     1.09507   108.08032   -76.18969
   63    58 S   CT   _C16    65     1.53100   116.15696  -117.83226
   64    63 S   HC   _H17    66     1.09846   106.80381   -69.56137
   65    63 S   HC   _H18    67     1.09854   108.68008    44.39988
   66    60 S   CO4  _C5_    54     1.51055   114.18679   162.59333
   67    66 S   O    _O33    55     1.23101   121.34578   109.35342
   68    63 S   CMA  _C17    68     1.52709   113.08651   168.46763
   69    68 S   OM   _O39    69     1.26230   111.41063   -90.49110
   70    66 S   CT   _C4_    56     1.50770   117.20098   -70.88157
   71    70 S   HC   _H5_    57     1.09223   110.10987    63.23458
   72    70 S   HC   _H6_    58     1.09345   109.52682  -177.22561
   73    70 S   HC   _H7_    59     1.09289   109.65079   -58.09272
   74    68 S   CM   _C18    70     1.35164   116.18344    90.77222
   75    74 S   HC   _H19    71     1.08729   119.29865    -1.23131
   76    74 S   CO4  _C19    72     1.49161   124.17257   179.32652
   77    76 S   O    _O38    73     1.22190   125.21219    -0.95777
   78    76 S   S    _S1_    74     1.76503   112.26754   179.17338
   79    78 S   CT   _C20    75     1.80581   100.27463  -179.33324
   80    79 S   HC   _H20    76     1.09324   109.27225   179.86583
   81    79 S   HC   _H21    77     1.09339   110.53491    60.53601
   82    79 S   HC   _H22    78     1.09339   110.53802   -60.80697
  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
  16   8   2   1   1  13   6   5  10   6  14   6   5   2   1  13
  13   5  11   5   4   3   1   7   4   7   4   8   4   3   7   4
   3   5   4   6   3   3   2   1   1   5   3   6   2   4   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    49    50    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    56    57    60    51    54    46  
   38    39    40    41    48    49    50    56  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    49    50    56    46    47  
   40    41    42    43    49    46  
   41    42    43    49    46  
   42    43    44    45    48    49    51    54    46    47  
   43    44    45    48    46    47  
   44    45    48    49    50    56    51    52    53    58    54    55    46    47  
   45    48    49    51    54    46  
   48    49    51    54    46  
   47    48  
    0  
   49    50    56    57    60    51    52    53    58    59    63    54    55  
   50    56    57    60    61    62    66    51    52    53    58    54    55  
   56    57    60    51    54  
   52    53    58    59    63    64    65    68    54    55    56  
   53    58    59    63    54  
   58    59    63    54  
   55    56    58  
    0  
   57    60    61    62    66    67    70  
   60    61    62    66  
   59    63    64    65    68    69    74  
   63    64    65    68  
   61    62    66    67    70    71    72    73  
   62    66    67    70  
   66    67    70  
   64    65    68    69    74    75    76  
   65    68    69    74  
   68    69    74  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    77    78  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77    78  
   77    78    79    80    81    82  
   78    79  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   79   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   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   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   570.000  1.307
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   268.000  1.529
   48    51   268.000  1.529
   48    54   320.000  1.410
   49    50   340.000  1.090
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.522
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   317.000  1.522
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   270.000  1.512
   68    69   745.000  1.250
   68    74   465.000  1.376
   74    75   340.000  1.080
   74    76   320.000  1.462
   76    77   570.000  1.229
   76    78   210.000  1.799
   78    79   222.000  1.810
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   54    55   553.000  0.945
   46    47   553.000  0.945
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    48    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    56    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    58.35000  112.70000
   43    48    51    58.35000  112.70000
   43    48    54    50.00000  109.50000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    56    63.00000  111.10000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    58    63.00000  111.10000
   48    54    55    55.00000  108.50000
   49    33    34    50.00000  109.50000
   49    33    38    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    60    70.00000  116.00000
   56    49    50    35.00000  109.50000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    75.00000  107.99600
   60    56    57    80.00000  120.40000
   60    66    67    80.00000  120.40000
   60    66    70    70.00000  116.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    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
   51    48    49    58.35000  112.70000
   51    58    59    80.00000  120.40000
   51    58    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    68    70.00000  109.06800
   63    58    59    80.00000  120.40000
   63    68    69    85.00000  112.85300
   63    68    74    65.00000  122.18000
   65    63    64    33.00000  107.80000
   68    63    64    45.00000  110.52000
   68    63    65    45.00000  110.52000
   68    74    75    40.00000  120.50800
   68    74    76    60.00000  125.92000
   74    68    69    65.00000  137.10300
   74    76    77    80.00000  123.72100
   74    76    78    65.00000  119.00000
   76    74    75    40.00000  117.72500
   76    78    79    90.00000   96.72000
   78    76    77    80.00000  121.30200
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   54    48    49    50.00000  109.50000
   54    48    51    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    48   0.44750  1.0 1.0
   29    33    49    48  -0.17800 -1.0 2.0
   29    33    49    48   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.86500  1.0 1.0
   33    38    41    46  -0.17500 -1.0 2.0
   33    38    41    46   0.20800  1.0 3.0
   33    49    56    57   0.30150 -1.0 2.0
   33    49    56    60   0.60050  1.0 1.0
   33    49    56    60   0.05600 -1.0 2.0
   33    49    56    60   0.26150  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    49    48   0.62750  1.0 1.0
   34    33    49    48  -0.30950 -1.0 2.0
   34    33    49    48   0.27300  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    56  -0.09450  1.0 1.0
   34    33    49    56  -1.12950 -1.0 2.0
   34    33    49    56   0.54000  1.0 3.0
   38    33    49    48   0.56750  1.0 1.0
   38    33    49    48  -0.07550 -1.0 2.0
   38    33    49    48   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    56  -0.95700  1.0 1.0
   38    33    49    56  -0.18200 -1.0 2.0
   38    33    49    56   0.29450  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48   0.56750  1.0 1.0
   38    41   -43    48  -0.07550 -1.0 2.0
   38    41   -43    48   0.20000  1.0 3.0
   38    41    46    47  -0.11600  1.0 1.0
   38    41    46    47  -0.09450 -1.0 2.0
   38    41    46    47   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    48    49   0.56750  1.0 1.0
   41    43    48    49  -0.07550 -1.0 2.0
   41    43    48    49   0.20000  1.0 3.0
   41    43    48    51   0.56750  1.0 1.0
   41    43    48    51  -0.07550 -1.0 2.0
   41    43    48    51   0.20000  1.0 3.0
   41    43    48    54   0.86500  1.0 1.0
   41    43    48    54  -0.17500 -1.0 2.0
   41    43    48    54   0.20800  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48   -49    33   0.56750  1.0 1.0
   43    48   -49    33  -0.07550 -1.0 2.0
   43    48   -49    33   0.20000  1.0 3.0
   43    48    49    50   0.15000  1.0 3.0
   43    48    49    56  -0.95700  1.0 1.0
   43    48    49    56  -0.18200 -1.0 2.0
   43    48    49    56   0.29450  1.0 3.0
   43    48    51    52   0.15000  1.0 3.0
   43    48    51    53   0.15000  1.0 3.0
   43    48    51    58  -0.95700  1.0 1.0
   43    48    51    58  -0.18200 -1.0 2.0
   43    48    51    58   0.29450  1.0 3.0
   43    48    54    55  -0.11600  1.0 1.0
   43    48    54    55  -0.09450 -1.0 2.0
   43    48    54    55   0.21250  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    43    48    54   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    51   0.15000  1.0 3.0
   45    43    48    54   0.23400  1.0 3.0
   48    49    56    57   0.30150 -1.0 2.0
   48    49    56    60   0.60050  1.0 1.0
   48    49    56    60   0.05600 -1.0 2.0
   48    49    56    60   0.26150  1.0 3.0
   48    51    58    59   0.30150 -1.0 2.0
   48    51    58    63   0.60050  1.0 1.0
   48    51    58    63   0.05600 -1.0 2.0
   48    51    58    63   0.26150  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    58  -0.95700  1.0 1.0
   49    48    51    58  -0.18200 -1.0 2.0
   49    48    51    58   0.29450  1.0 3.0
   49    48    54    55  -0.11600  1.0 1.0
   49    48    54    55  -0.09450 -1.0 2.0
   49    48    54    55   0.21250  1.0 3.0
   49    56    60    61   0.00000  1.0 1.0
   49    56    60    62   0.00000  1.0 1.0
   49    56    60    66   0.65300  1.0 1.0
   49    56    60    66  -0.03850 -1.0 2.0
   49    56    60    66   0.33900  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    60   0.00000  1.0 1.0
   56    60    66    67   0.30150 -1.0 2.0
   56    60    66    70   0.65300  1.0 1.0
   56    60    66    70  -0.03850 -1.0 2.0
   56    60    66    70   0.33900  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    66   0.30150 -1.0 2.0
   60    66    70    71   0.00000  1.0 1.0
   60    66    70    72   0.00000  1.0 1.0
   60    66    70    73   0.00000  1.0 1.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    70   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    70   0.00000  1.0 1.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   51    48    49    33   0.56750  1.0 1.0
   51    48    49    33  -0.07550 -1.0 2.0
   51    48    49    33   0.20000  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    56  -0.95700  1.0 1.0
   51    48    49    56  -0.18200 -1.0 2.0
   51    48    49    56   0.29450  1.0 3.0
   51    48    54    55  -0.11600  1.0 1.0
   51    48    54    55  -0.09450 -1.0 2.0
   51    48    54    55   0.21250  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    65   0.00000  1.0 1.0
   51    58    63    68   0.65300  1.0 1.0
   51    58    63    68  -0.03850 -1.0 2.0
   51    58    63    68   0.33900  1.0 3.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    63   0.00000  1.0 1.0
   53    51    58    59   0.00000  1.0 1.0
   53    51    58    63   0.00000  1.0 1.0
   58    63    68    69   0.09700  1.0 1.0
   58    63    68    69   0.15600 -1.0 2.0
   58    63    68    69  -0.50800  1.0 3.0
   58    63    68    74  -0.51250  1.0 1.0
   58    63    68    74  -0.88800 -1.0 2.0
   58    63    68    74   0.08850  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    68   0.30150 -1.0 2.0
   63    68    74    75   7.00000 -1.0 2.0
   63    68    74    76   7.00000 -1.0 2.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    74   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    74   0.00000  1.0 1.0
   68    74    76    77   1.00000 -1.0 2.0
   68    74    76    78   0.50400  1.0 1.0
   68    74    76    78   1.60000 -1.0 2.0
   68    74    76    78  -0.01800  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    76   7.00000 -1.0 2.0
   74    76    78    79  -0.11550  1.0 1.0
   74    76    78    79   1.88700 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.92800 -1.0 2.0
   76    78    79    80   0.24000  1.0 3.0
   76    78    79    81   0.24000  1.0 3.0
   76    78    79    82   0.24000  1.0 3.0
   77    76    78    79  -0.11550  1.0 1.0
   77    76    78    79   1.88700 -1.0 2.0
   54    48    49    33   0.86500  1.0 1.0
   54    48    49    33  -0.17500 -1.0 2.0
   54    48    49    33   0.20800  1.0 3.0
   54    48    49    50   0.23400  1.0 3.0
   54    48    49    56  -0.09450  1.0 1.0
   54    48    49    56  -1.12950 -1.0 2.0
   54    48    49    56   0.54000  1.0 3.0
   54    48    51    52   0.23400  1.0 3.0
   54    48    51    53   0.23400  1.0 3.0
   54    48    51    58  -0.09450  1.0 1.0
   54    48    51    58  -1.12950 -1.0 2.0
   54    48    51    58   0.54000  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  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
   49    60    56    57  10.50000 -1.0 2.0
   60    70    66    67  10.50000 -1.0 2.0
   51    63    58    59  10.50000 -1.0 2.0
   63    69    68    74  15.00000 -1.0 2.0
   76    75    74    68  15.00000 -1.0 2.0
   74    78    76    77  10.50000 -1.0 2.0
END
