* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    145    214     421
    1     0 S   NP   _N1_     1    29.17862    94.23961   -25.00806
    2     1 S   H    _HN1     2     1.02779   106.40948  -103.68702
    3     1 S   H    _H1_     3     1.02977    91.64811     5.94838
    4     1 S   H    _H2_     4     1.02842    17.38074   158.84672
    5     1 S   CT   _CA1     5     1.50147   125.25746   122.56007
    6     5 S   HC   _HA1     6     1.09556   105.35102    70.36567
    7     5 S   CO3  _C1_     7     1.53851   112.21171   -50.13339
    8     7 S   O2Z  _O11     8     1.26380   115.01556   -45.13714
    9     7 S   O2Z  _O12     9     1.26227   114.90449   134.02077
   10     5 S   CT   _CB1    10     1.53013   107.36233  -171.51705
   11    10 S   HC   HB11    11     1.09818   109.67703   -49.24089
   12    10 S   HC   HB12    12     1.09650   109.99996    67.27623
   13    10 S   CT   _CG1    13     1.52985   112.96377  -170.60803
   14    13 S   HC   HG11    14     1.09583   110.48816   -58.61933
   15    13 S   HC   HG12    15     1.09616   110.10977    60.72642
   16    13 S   C    _CD1    16     1.51811   111.99201  -178.74493
   17    16 S   O    _OE1    17     1.22740   123.23597    -5.14677
   18    16 S   N    _N2_    18     1.38598   111.81740   174.69877
   19    18 S   H    _HN2    19     1.01575   119.21676     2.68095
   20    18 S   CT1  _CA2    20     1.46127   123.06602  -176.34023
   21    20 S   HC   _HA2    21     1.09590   109.20193    -7.62288
   22    20 S   C    _C2_    22     1.53359   108.93915  -123.01551
   23    22 S   O    _O2_    23     1.23027   122.12952  -147.30994
   24    20 S   CT   _CB2    32     1.53439   111.53468   114.33309
   25    24 S   HC   HB21    33     1.09655   109.54772    63.68666
   26    24 S   HC   HB22    34     1.09565   111.06227  -178.84614
   27    22 S   N    _N3_    24     1.38477   113.45971    40.26877
   28    27 S   H    _HN3    25     1.01509   118.91879    -0.76745
   29    24 S   S    _SG2    35     1.82729   114.10248   -55.64006
   30    27 S   CT   _CA3    26     1.45442   123.41688   174.52915
   31    30 S   HC   HA31    27     1.09525   109.17082    25.70261
   32    30 S   HC   HA32    28     1.09490   107.14287   142.75018
   33    29 S   CT   _C17    36     1.82338    99.88318   -72.98576
   34    33 S   HC   _H17    37     1.09460   108.28436   -65.02163
   35    33 S   HC   _H18    38     1.09194   110.25865    51.93750
   36    30 S   CO3  _C3_    29     1.52952   113.16196   -97.68461
   37    36 S   O2Z  _O31    30     1.26402   115.46146   -42.19328
   38    36 S   O2Z  _O32    31     1.26361   114.93684   138.71094
   39    33 S   CM   _C15    39     1.50207   109.38728   173.19741
   40    39 S   CMA  _C16    40     1.34986   127.16611    99.80892
   41    40 S   OM   _O35    41     1.26321   127.95338     1.86067
   42    40 S   OS   _O34    42     1.41894   109.83026  -177.61116
   43    42 S   CT   _C11    43     1.44257   107.37640    11.05669
   44    43 S   HC   _H4_    44     1.08997   105.67325  -139.14338
   45    43 S   CM   _C10    45     1.51727   108.50800   102.16587
   46    45 S   HC   _H13    46     1.09033   113.85035   -53.26830
   47    39 S   CT   _C12    61     1.50570   120.72264   -80.00507
   48    47 S   HC   _H5_    62     1.09714   109.54408    49.62645
   49    45 S   CM   _C9_    47     1.35166   128.39369   129.57659
   50    49 S   CT   _C8_    48     1.52748   124.51649    -2.70783
   51    50 S   HC   _H3_    49     1.09568   108.93792   -29.72325
   52    49 S   CT   _C18    76     1.50955   119.17737   175.56006
   53    52 S   HC   _H19    77     1.09467   110.59748   114.61911
   54    52 S   HC   _H20    78     1.09538   112.34465    -5.33998
   55    52 S   HC   _H21    79     1.09475   110.43817  -124.96248
   56    50 S   CT   _C7_    50     1.54597   112.87118    93.06517
   57    56 S   HC   _H11    51     1.09579   110.85634   175.33549
   58    56 S   HC   _H12    52     1.09779   110.00653    60.42124
   59    50 S   OS   _O36    69     1.44973   108.52446  -146.17061
   60    56 S   CM   _C6_    53     1.50089   111.47280   -60.70802
   61    60 S   HC   _H10    54     1.08888   114.32914    95.80308
   62    59 S   CO4  _C19    70     1.36231   117.67398   154.41193
   63    62 S   O    _O37    71     1.22309   126.50028     0.39466
   64    60 S   CM   _C5_    55     1.34743   126.26795   -74.20248
   65    62 S   CT   _C20    72     1.49841   109.45399  -179.76845
   66    65 S   HC   _H22    73     1.09289   109.82019   -61.47300
   67    65 S   HC   _H23    74     1.09379   109.36517   179.45106
   68    65 S   HC   _H24    75     1.09293   109.83794    60.43610
   69    64 S   CT   _C14    56     1.51357   119.49239   166.10166
   70    69 S   HC   _H14    57     1.09635   109.36673    30.16937
   71    69 S   HC   _H15    58     1.09759   108.58666   145.02368
   72    64 S   CT   _C4_    65     1.50407   124.48844   -10.28731
   73    72 S   HC   _H7_    66     1.09347   110.93644   112.80295
   74    72 S   HC   _H8_    67     1.09273   113.03905    -8.01315
   75    72 S   HC   _H9_    68     1.09515   109.97504  -127.35257
   76    69 S   CT   _C13    59     1.55029   115.02424   -91.92741
   77    76 S   HC   _H6_    60     1.09623   105.98553   175.47823
   78    76 S   OH   _O33    63     1.42679   109.98713   -70.44108
   79    78 S   HO   _H16    64     0.97199   107.69166   -57.18772
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4  10   4
  12  15   7   5   2   1   1   9   5   4   7  10   3   5   4  10
   3   2   1   1  10   5   4   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    76    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    69    76    77    47    48    78  
   41    42    43    44    45    76    47    48  
   42    43    47  
   43    44    45    46    49    76    47    48  
   44    45    46    49    50    69    76    77    47    48    78    52  
   45    46    49    76    47    48  
   46    49    50    51    56    76    47    48    59    52    53    54    55  
   49    50    47    52  
   48    78    79    49    64    69    70    71    76    77  
   78    69    76    77  
   50    51    56    57    58    60    59    62    52    53    54    55  
   51    56    57    58    60    61    64    59    62    63    65    52    53    54    55  
   56    57    58    60    59    62    52  
   53    54    55    56    59  
   54    55  
   55  
    0  
   57    58    60    61    64    69    72    59    62  
   58    60    61    64    59  
   60    61    64    59  
   62    63    65    66    67    68    60  
   61    64    69    70    71    76    72    73    74    75  
   64    69    72  
   63    65    66    67    68  
   65    66    67    68  
   69    70    71    76    77    78    72    73    74    75  
   66    67    68  
   67    68  
   68  
    0  
   70    71    76    77    78    79    72    73    74    75  
   71    76    77    78    72  
   76    77    78    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77    78    79  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   317.000  1.510
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    69   317.000  1.510
   64    72   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    47   268.000  1.529
   76    78   320.000  1.410
   47    48   340.000  1.090
   78    79   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    76    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    76    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    52    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    50    59    85.00000  110.90400
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    60    70.00000  112.02700
   50    59    62    83.00000  116.90000
   56    50    51    37.50000  110.70000
   56    60    61    35.00000  117.00000
   56    60    64    70.00000  124.00000
   58    56    57    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    58    35.00000  109.50000
   60    64    69    70.00000  124.00000
   60    64    72    70.00000  124.00000
   64    60    61    35.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    76    70.00000  112.02700
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   69    76    77    37.50000  110.70000
   69    76    47    58.35000  112.70000
   69    76    78    50.00000  109.50000
   71    69    70    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   76    47    48    37.50000  110.70000
   76    78    79    55.00000  108.50000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    76    77    37.50000  110.70000
   78    76    77    35.00000  109.50000
   78    76    47    50.00000  109.50000
   72    64    69    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    65    81.00000  111.40000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   65    62    63    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    76   0.46850  1.0 1.0
   33    39    47    76   0.08550 -1.0 2.0
   33    39    47    76   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    76   0.09850  1.0 1.0
   40    39    47    76   0.15250 -1.0 2.0
   40    39    47    76  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    76   0.62750  1.0 1.0
   42    43    47    76  -0.30950 -1.0 2.0
   42    43    47    76   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    52   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    76   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    76   0.34400  1.0 1.0
   45    43    47    76   0.09450 -1.0 2.0
   45    43    47    76   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    50    59   0.39000  1.0 1.0
   45    49    50    59  -0.05800 -1.0 2.0
   45    49    50    59  -0.55150  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.15000  1.0 3.0
   49    50    56    60   0.31000  1.0 1.0
   49    50    56    60   0.14700 -1.0 2.0
   49    50    56    60   0.07550  1.0 3.0
   49    50    59    62  -0.82050  1.0 1.0
   49    50    59    62   0.00600 -1.0 2.0
   49    50    59    62   0.04400  1.0 3.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    60    61   0.00000  1.0 1.0
   50    56    60    64   0.09850  1.0 1.0
   50    56    60    64   0.15250 -1.0 2.0
   50    56    60    64  -0.50650  1.0 3.0
   50    59    62    63   3.00000 -1.0 2.0
   50    59    62    65   1.63150  1.0 1.0
   50    59    62    65   2.92000 -1.0 2.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    60   0.15000  1.0 3.0
   51    50    59    62   0.08050  1.0 3.0
   56    50    59    62  -0.25900  1.0 1.0
   56    50    59    62  -0.47000 -1.0 2.0
   56    50    59    62   0.11750  1.0 3.0
   56    60    64    69   7.00000 -1.0 2.0
   56    60    64    72   7.00000 -1.0 2.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    64   0.00000  1.0 1.0
   58    56    60    61   0.33100  1.0 3.0
   58    56    60    64   0.00000  1.0 1.0
   60    64    69    70   0.00000  1.0 1.0
   60    64    69    71   0.00000  1.0 1.0
   60    64    69    76   0.09850  1.0 1.0
   60    64    69    76   0.15250 -1.0 2.0
   60    64    69    76  -0.50650  1.0 3.0
   60    64    72    73   0.00000  1.0 1.0
   60    64    72    74   0.00000  1.0 1.0
   60    64    72    75   0.00000  1.0 1.0
   61    60    64    69   7.00000 -1.0 2.0
   61    60    64    72   7.00000 -1.0 2.0
   64    69    76    77   0.15000  1.0 3.0
   64    69    76    47   0.34400  1.0 1.0
   64    69    76    47   0.09450 -1.0 2.0
   64    69    76    47   0.11100  1.0 3.0
   64    69    76    78   1.05650  1.0 1.0
   64    69    76    78   0.15600 -1.0 2.0
   64    69    76    78   0.53150  1.0 3.0
   69    64    72    73   0.34800  1.0 3.0
   69    64    72    74   0.34800  1.0 3.0
   69    64    72    75   0.34800  1.0 3.0
   69    76    47    39   0.34400  1.0 1.0
   69    76    47    39   0.09450 -1.0 2.0
   69    76    47    39   0.11100  1.0 3.0
   69    76    47    43   0.56750  1.0 1.0
   69    76    47    43  -0.07550 -1.0 2.0
   69    76    47    43   0.20000  1.0 3.0
   69    76    47    48   0.15000  1.0 3.0
   69    76    78    79  -0.11600  1.0 1.0
   69    76    78    79  -0.09450 -1.0 2.0
   69    76    78    79   0.21250  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    47   0.15000  1.0 3.0
   70    69    76    78   0.23400  1.0 3.0
   71    69    76    77   0.15000  1.0 3.0
   71    69    76    47   0.15000  1.0 3.0
   71    69    76    78   0.23400  1.0 3.0
   77    76    47    39   0.15000  1.0 3.0
   77    76    47    43   0.15000  1.0 3.0
   77    76    47    48   0.15000  1.0 3.0
   77    76    78    79   0.19450  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    76    78    79  -0.11600  1.0 1.0
   47    76    78    79  -0.09450 -1.0 2.0
   47    76    78    79   0.21250  1.0 3.0
   78    76    47    39   1.05650  1.0 1.0
   78    76    47    39   0.15600 -1.0 2.0
   78    76    47    39   0.53150  1.0 3.0
   78    76    47    43   0.86500  1.0 1.0
   78    76    47    43  -0.17500 -1.0 2.0
   78    76    47    43   0.20800  1.0 3.0
   78    76    47    48   0.23400  1.0 3.0
   72    64    69    70   0.34800  1.0 3.0
   72    64    69    71   0.34800  1.0 3.0
   72    64    69    76   0.46850  1.0 1.0
   72    64    69    76   0.08550 -1.0 2.0
   72    64    69    76   0.09800  1.0 3.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    60   0.61850  1.0 1.0
   59    50    56    60  -0.22750 -1.0 2.0
   59    50    56    60   0.15300  1.0 3.0
   59    62    65    66   0.00000  1.0 1.0
   59    62    65    67   0.00000  1.0 1.0
   59    62    65    68   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   52    49    50    59   0.09700  1.0 1.0
   52    49    50    59   0.15600 -1.0 2.0
   52    49    50    59  -0.50800  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
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    52    49    45   1.10000 -1.0 2.0
   56    61    60    64   1.10000 -1.0 2.0
   69    72    64    60   1.10000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
END
