* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    145    219     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.80555    98.15944  -158.21451
   34    33 S   HC   _H3_    37     1.09759   108.00673    37.31488
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C16    38     1.51564   107.93730   -79.96541
   39    38 S   CM   _C15    39     1.34340   122.24605  -109.95737
   40    38 S   OS   _O35    80     1.38230   116.97380    71.24731
   41    39 S   CM   _C14    40     1.44609   120.79036    -0.19782
   42    41 S   HC   _H12    41     1.08630   118.38693   175.04663
   43    39 S   OH   _O36    78     1.37440   124.07781   179.83929
   44    43 S   HO   _H16    79     0.96483   110.14164   179.96044
   45    40 S   CT   _C18    81     1.40617   112.51712    88.80837
   46    45 S   HC   _H13    82     1.09304   109.47106  -179.97202
   47    45 S   HC   _H14    83     1.09259   109.59363    59.20693
   48    45 S   HC   _H15    84     1.09330   108.96800   -60.42036
   49    41 S   CM   _C13    42     1.34133   121.41830    -6.98309
   50    49 S   HC   _H11    43     1.08612   119.30737  -177.09404
   51    33 S   CM   _C12    44     1.52440   109.24592   155.82717
   52    51 S   CM   _C11    45     1.34365   121.87260   -77.41673
   53    52 S   CA   _C7_    46     1.48614   118.29697     2.03384
   54    52 S   CA   _C19    62     1.48641   118.19192  -178.02266
   55    53 S   CA   _C8_    47     1.39436   119.99496   -90.05869
   56    55 S   HA   _H8_    48     1.08793   120.83678    -0.01978
   57    54 S   CA   _C20    63     1.39465   120.00286    90.06478
   58    57 S   HA   _H17    64     1.08746   120.80513    -0.08847
   59    55 S   CA   _C9_    49     1.39475   120.03850   179.91844
   60    59 S   HA   _H9_    50     1.08595   119.67892  -180.00000
   61    57 S   CA   _C21    65     1.39487   120.03031   179.87805
   62    61 S   HA   _H18    66     1.08693   119.61908  -180.00000
   63    59 S   CA   _C10    51     1.39501   119.95297    -0.03426
   64    61 S   CA   _C22    67     1.39446   119.96093    -0.02798
   65    63 S   CA   _C5_    52     1.39459   120.04816     0.02798
   66    63 S   OH   _O34    60     1.36262   119.40693   180.00000
   67    66 S   HO   _H10    61     0.97057   110.20498     0.05595
   68    64 S   CA   _C23    68     1.39444   120.06150    -0.00000
   69    64 S   OH   _O38    76     1.36294   119.39434  -179.98022
   70    69 S   HO   _H23    77     0.96981   110.19830     0.03956
   71    53 S   CA   _C6_    53     1.39500   120.01471    89.87612
   72    71 S   HA   _H7_    54     1.08796   120.48164     0.01978
   73    65 S   OS   _O33    55     1.36176   120.51360   179.91153
   74    54 S   CA   _C24    69     1.39540   119.99816   -90.06800
   75    74 S   HA   _H19    70     1.08758   120.47256     0.08156
   76    68 S   OS   _O37    71     1.36184   120.53994   179.93744
   77    73 S   CT   _C4_    56     1.42619   117.08585   -90.01688
   78    77 S   HC   _H4_    57     1.09254   109.56980   180.00000
   79    77 S   HC   _H5_    58     1.09323   109.47279    59.19010
   80    77 S   HC   _H6_    59     1.09273   109.01225   -60.34493
   81    76 S   CT   _C25    72     1.42683   117.04665  -179.97202
   82    81 S   HC   _H20    73     1.09267   109.53637   180.00000
   83    81 S   HC   _H21    74     1.09236   109.52020    59.20533
   84    81 S   HC   _H22    75     1.09308   108.96282   -60.39977
  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   8   5   4   3
  13   6   2   1   1  13   9   7   7   4   2   1   3   2   1   1
   5   2   7  14  12  11   8   4   8   4   7   3   7   3   7   7
   9   3   1   9   3   1   3   1   4   3   1   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    51    52    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    49    50    51    52    53    54    43    40    45  
   38    39    49    51    52    40  
   36    37  
   37  
    0  
   39    41    42    49    51    52    43    44    40    45    46    47    48  
   41    42    49    50    51    43    44    40    45  
   45    46    47    48    41    43    51  
   42    49    50    51    52    43    44  
   49    50    51    43  
   44    49  
    0  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54  
   51    52  
   52    53    55    71    54    57    74  
   53    55    56    59    65    71    72    54    57    58    61    68    74    75  
   55    56    59    60    63    65    71    72    73    54    57    74  
   57    58    61    62    64    68    74    75    76    55    71  
   56    59    60    63    65    71    72    66  
   59    60    63    71  
   58    61    62    64    68    74    75    69  
   61    62    64    74  
   60    63    65    71    73    66    67  
   63    65    66  
   62    64    68    74    76    69    70  
   64    68    69  
   65    71    72    73    77    66    67  
   68    74    75    76    81    69    70  
   71    72    73    77    78    79    80    66    67  
   67    71    73  
    0  
   74    75    76    81    82    83    84    69    70  
   70    74    76  
    0  
   72    73    77  
   73  
   77    78    79    80  
   75    76    81  
   76  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   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    51   317.000  1.510
   38    39   549.000  1.340
   38    40   440.000  1.360
   39    41   380.000  1.444
   39    43   510.000  1.338
   41    42   340.000  1.080
   41    49   549.000  1.340
   49    50   340.000  1.080
   49    51   380.000  1.444
   51    52   549.000  1.340
   52    53   320.000  1.460
   52    54   320.000  1.460
   53    55   469.000  1.400
   53    71   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    65   469.000  1.400
   63    66   450.000  1.364
   65    71   469.000  1.400
   65    73   450.000  1.364
   71    72   367.000  1.080
   73    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   66    67   553.000  0.945
   54    57   469.000  1.400
   54    74   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    68   469.000  1.400
   64    69   450.000  1.364
   68    74   469.000  1.400
   68    76   450.000  1.364
   74    75   367.000  1.080
   76    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   553.000  0.945
   43    44   553.000  0.945
   40    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    51    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    85.00000  112.85300
   33    51    49    70.00000  124.00000
   33    51    52    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    41    70.00000  123.01800
   38    39    43    80.00000  121.38400
   38    40    45    90.00000  111.18400
   39    41    42    35.00000  120.00000
   39    41    49    70.00000  123.01800
   39    43    44    70.00000  107.45700
   41    49    50    35.00000  120.00000
   41    49    51    70.00000  123.01800
   49    41    42    35.00000  120.00000
   49    51    52    70.00000  123.01800
   51    33    34    35.00000  109.50000
   51    33    38    70.00000  110.12100
   51    49    50    35.00000  120.00000
   51    52    53    60.00000  123.20500
   51    52    54    60.00000  123.20500
   52    53    55    60.00000  120.93500
   52    53    71    60.00000  120.93500
   52    54    57    60.00000  120.93500
   52    54    74    60.00000  120.93500
   53    55    56    35.00000  120.00000
   53    55    59    63.00000  120.00000
   53    71    65    63.00000  120.00000
   53    71    72    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    63    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    63    65    63.00000  120.00000
   59    63    66    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    65    71    63.00000  120.00000
   63    65    73    70.00000  120.00000
   63    66    67    35.00000  113.00000
   65    71    72    35.00000  120.00000
   65    73    77    75.00000  111.00000
   71    53    55    63.00000  120.00000
   73    65    71    70.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   66    63    65    70.00000  120.00000
   54    52    53    60.00000  122.92000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   54    74    68    63.00000  120.00000
   54    74    75    35.00000  120.00000
   57    61    62    35.00000  120.00000
   57    61    64    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    68    63.00000  120.00000
   61    64    69    70.00000  120.00000
   64    61    62    35.00000  120.00000
   64    68    74    63.00000  120.00000
   64    68    76    70.00000  120.00000
   64    69    70    35.00000  113.00000
   68    74    75    35.00000  120.00000
   68    76    81    75.00000  111.00000
   74    54    57    63.00000  120.00000
   76    68    74    70.00000  120.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   69    64    68    70.00000  120.00000
   43    39    41    80.00000  121.38400
   40    38    39    80.00000  120.01400
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.09700  1.0 1.0
   29    33    38    40   0.15600 -1.0 2.0
   29    33    38    40  -0.50800  1.0 3.0
   29    33    51    49   0.42700  1.0 1.0
   29    33    51    49  -0.70350 -1.0 2.0
   29    33    51    49  -0.43150  1.0 3.0
   29    33    51    52   0.42700  1.0 1.0
   29    33    51    52  -0.70350 -1.0 2.0
   29    33    51    52  -0.43150  1.0 3.0
   33    38    39    41   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    40    45   2.00000 -1.0 2.0
   33    51    52    53   7.00000 -1.0 2.0
   33    51    52    54   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    49   0.00000  1.0 1.0
   34    33    51    52   0.00000  1.0 1.0
   38    33    51    49  -0.28300  1.0 1.0
   38    33    51    49   0.26700 -1.0 2.0
   38    33    51    49  -0.63300  1.0 3.0
   38    33    51    52  -0.28300  1.0 1.0
   38    33    51    52   0.26700 -1.0 2.0
   38    33    51    52  -0.63300  1.0 3.0
   38    39    41    42  -0.18600  1.0 3.0
   38    39   -41    49   0.28850  1.0 1.0
   38    39   -41    49   2.61350 -1.0 2.0
   38    39   -41    49   0.78400  1.0 3.0
   38    39    43    44  -0.66100  1.0 1.0
   38    39    43    44   1.20850 -1.0 2.0
   38    39    43    44  -0.36000  1.0 3.0
   38    40    45    46   0.08050  1.0 3.0
   38    40    45    47   0.08050  1.0 3.0
   38    40    45    48   0.08050  1.0 3.0
   39    38    40    45  -2.26850  1.0 1.0
   39    38    40    45   3.39050 -1.0 2.0
   39    41    49    50   7.00000 -1.0 2.0
   39    41    49    51   7.00000 -1.0 2.0
   41    39    43    44  -0.66100  1.0 1.0
   41    39    43    44   1.20850 -1.0 2.0
   41    39    43    44  -0.36000  1.0 3.0
   41    49   -51    33  -0.18600  1.0 3.0
   41    49    51    52   0.28850  1.0 1.0
   41    49    51    52   2.61350 -1.0 2.0
   41    49    51    52   0.78400  1.0 3.0
   42    41    49    50   7.00000 -1.0 2.0
   42    41    49    51   7.00000 -1.0 2.0
   49    51    52    53   7.00000 -1.0 2.0
   49    51    52    54   7.00000 -1.0 2.0
   50    49    51    33   0.00000  1.0 1.0
   50    49    51    52  -0.18600  1.0 3.0
   51    33   -38    39  -0.28300  1.0 1.0
   51    33   -38    39   0.26700 -1.0 2.0
   51    33   -38    39  -0.63300  1.0 3.0
   51    33    38    40   0.09700  1.0 1.0
   51    33    38    40   0.15600 -1.0 2.0
   51    33    38    40  -0.50800  1.0 3.0
   51    52    53    55   0.15800  1.0 1.0
   51    52    53    55   1.85350 -1.0 2.0
   51    52    53    55  -0.48700  1.0 3.0
   51    52    53    71   0.15800  1.0 1.0
   51    52    53    71   1.85350 -1.0 2.0
   51    52    53    71  -0.48700  1.0 3.0
   51    52    54    57   0.15800  1.0 1.0
   51    52    54    57   1.85350 -1.0 2.0
   51    52    54    57  -0.48700  1.0 3.0
   51    52    54    74   0.15800  1.0 1.0
   51    52    54    74   1.85350 -1.0 2.0
   51    52    54    74  -0.48700  1.0 3.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    59   3.62500 -1.0 2.0
   52    53    71    65   3.62500 -1.0 2.0
   52    53    71    72   3.62500 -1.0 2.0
   52    54    57    58   3.62500 -1.0 2.0
   52    54    57    61   3.62500 -1.0 2.0
   52    54    74    68   3.62500 -1.0 2.0
   52    54    74    75   3.62500 -1.0 2.0
   53    52    54    57  -0.01750  1.0 1.0
   53    52    54    57  -0.32000 -1.0 2.0
   53    52    54    57   0.00600  1.0 3.0
   53    52    54    74  -0.01750  1.0 1.0
   53    52    54    74  -0.32000 -1.0 2.0
   53    52    54    74   0.00600  1.0 3.0
   53    55    59    60   3.62500 -1.0 2.0
   53    55    59    63   3.62500 -1.0 2.0
   55    53    71    65   3.62500 -1.0 2.0
   55    53    71    72   3.62500 -1.0 2.0
   55    59   -63    65   3.62500 -1.0 2.0
   55    59    63    66   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    63   3.62500 -1.0 2.0
   59    63    65    71   3.62500 -1.0 2.0
   59    63    65    73   3.62500 -1.0 2.0
   59    63    66    67   0.84100 -1.0 2.0
   60    59    63    65   3.62500 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   63    65   -71    53   3.62500 -1.0 2.0
   63    65    71    72   3.62500 -1.0 2.0
   63    65    73    77   1.63200 -1.0 2.0
   65    63    66    67   0.84100 -1.0 2.0
   65    73    77    78   0.08050  1.0 3.0
   65    73    77    79   0.08050  1.0 3.0
   65    73    77    80   0.08050  1.0 3.0
   71    53    55    56   3.62500 -1.0 2.0
   71    53   -55    59   3.62500 -1.0 2.0
   71    65    73    77   1.63200 -1.0 2.0
   73    65    71    53   3.62500 -1.0 2.0
   73    65    71    72   3.62500 -1.0 2.0
   66    63    65    71   3.62500 -1.0 2.0
   66    63    65    73   3.62500 -1.0 2.0
   54    52    53    55  -0.01750  1.0 1.0
   54    52    53    55  -0.32000 -1.0 2.0
   54    52    53    55   0.00600  1.0 3.0
   54    52    53    71  -0.01750  1.0 1.0
   54    52    53    71  -0.32000 -1.0 2.0
   54    52    53    71   0.00600  1.0 3.0
   54    57    61    62   3.62500 -1.0 2.0
   54    57    61    64   3.62500 -1.0 2.0
   57    54    74    68   3.62500 -1.0 2.0
   57    54    74    75   3.62500 -1.0 2.0
   57    61   -64    68   3.62500 -1.0 2.0
   57    61    64    69   3.62500 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   61    64    68    74   3.62500 -1.0 2.0
   61    64    68    76   3.62500 -1.0 2.0
   61    64    69    70   0.84100 -1.0 2.0
   62    61    64    68   3.62500 -1.0 2.0
   62    61    64    69   3.62500 -1.0 2.0
   64    68   -74    54   3.62500 -1.0 2.0
   64    68    74    75   3.62500 -1.0 2.0
   64    68    76    81   1.63200 -1.0 2.0
   68    64    69    70   0.84100 -1.0 2.0
   68    76    81    82   0.08050  1.0 3.0
   68    76    81    83   0.08050  1.0 3.0
   68    76    81    84   0.08050  1.0 3.0
   74    54    57    58   3.62500 -1.0 2.0
   74    54   -57    61   3.62500 -1.0 2.0
   74    68    76    81   1.63200 -1.0 2.0
   76    68    74    54   3.62500 -1.0 2.0
   76    68    74    75   3.62500 -1.0 2.0
   69    64    68    74   3.62500 -1.0 2.0
   69    64    68    76   3.62500 -1.0 2.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    49   0.50950  1.0 1.0
   43    39    41    49   0.56650 -1.0 2.0
   43    39    41    49   0.34050  1.0 3.0
   40    38    39    41   7.00000 -1.0 2.0
   40    38    39    43   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   41    43    39    38   1.10000 -1.0 2.0
   39    42    41    49   1.10000 -1.0 2.0
   51    50    49    41   1.10000 -1.0 2.0
   33    49    51    52   1.10000 -1.0 2.0
   53    54    52    51   1.10000 -1.0 2.0
   55    71    53    52   4.00000 -1.0 2.0
   59    56    55    53   1.10000 -1.0 2.0
   63    60    59    55   1.10000 -1.0 2.0
   65    66    63    59   4.00000 -1.0 2.0
   71    73    65    63   4.00000 -1.0 2.0
   65    72    71    53   1.10000 -1.0 2.0
   57    74    54    52   4.00000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   64    62    61    57   1.10000 -1.0 2.0
   68    69    64    61   4.00000 -1.0 2.0
   74    76    68    64   4.00000 -1.0 2.0
   68    75    74    54   1.10000 -1.0 2.0
END
