* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    152    244     455
    1     0 S   NP   _N1_     1    28.64551    94.52185   -21.79969
    2     1 S   H    _HN1     2     1.02964    94.82343    -1.04324
    3     1 S   H    _H1_     3     1.02834    23.51292   121.87166
    4     1 S   H    _H2_     4     1.02774    93.79810  -109.81903
    5     1 S   CT   _CA1     5     1.50135   134.24774   123.70331
    6     5 S   HC   _HA1     6     1.09575   105.23183    58.39921
    7     5 S   CO3  _C1_     7     1.53790   112.32935   -61.78155
    8     7 S   O2Z  _O11     8     1.26360   114.99986   -44.13127
    9     7 S   O2Z  _O12     9     1.26237   114.92390   134.95504
   10     5 S   CT   _CB1    10     1.53076   107.39268   176.27648
   11    10 S   HC   HB11    11     1.09824   109.30305   -50.78532
   12    10 S   HC   HB12    12     1.09832   110.42403    65.73903
   13    10 S   CT   _CG1    13     1.53027   112.71813  -171.92170
   14    13 S   HC   HG11    14     1.09598   110.36542   -63.31740
   15    13 S   HC   HG12    15     1.09637   110.09164    55.94242
   16    13 S   C    _CD1    16     1.51799   112.18704   176.19708
   17    16 S   O    _OE1    17     1.22746   123.13268    -5.93455
   18    16 S   N    _N2_    18     1.38513   111.73880   174.04165
   19    18 S   H    _HN2    19     1.01564   119.21914     4.48681
   20    18 S   CT1  _CA2    20     1.45894   123.10916   179.95154
   21    20 S   HC   _HA2    21     1.09431   109.00613     7.04431
   22    20 S   C    _C2_    22     1.52846   106.40288  -109.59753
   23    22 S   O    _O2_    23     1.23059   122.55012   -31.37266
   24    20 S   CT   _CB2    32     1.53343   112.19213   130.56613
   25    24 S   HC   HB21    33     1.09681   109.46078    66.53837
   26    24 S   HC   HB22    34     1.09410   111.24854  -176.62084
   27    22 S   N    _N3_    24     1.38451   112.93058   151.05316
   28    27 S   H    _HN3    25     1.01897   119.73611     2.37438
   29    24 S   S    _SG2    35     1.83044   114.48337   -52.22019
   30    27 S   CT   _CA3    26     1.45456   122.66095   178.60310
   31    30 S   HC   HA31    27     1.09557   106.54076   -87.66474
   32    30 S   HC   HA32    28     1.09537   109.39312    28.69802
   33    29 S   CT   _C10    36     1.84320   100.99085   -67.65295
   34    33 S   HC   _H3_    37     1.09123   106.81926    33.80759
   35    30 S   CO3  _C3_    29     1.52858   114.08201   150.59649
   36    35 S   O2Z  _O31    30     1.26325   115.82648   -38.26550
   37    35 S   O2Z  _O32    31     1.26454   114.70870   142.89486
   38    33 S   CA   _C9_    38     1.52256   109.86412   150.07869
   39    33 S   CM   _C11    50     1.51311   109.75266   -85.55310
   40    39 S   HC   _H13    51     1.09146   115.65551   -44.47444
   41    38 S   CA   _C4_    39     1.40588   119.42077  -110.05084
   42    41 S   HA   _H9_    40     1.08755   120.39086    -0.28046
   43    39 S   CMA  _C12    52     1.35501   127.75326   136.35186
   44    43 S   OM   _O42    53     1.26435   129.60517   178.51325
   45    41 S   CA   _C5_    41     1.39542   120.85767  -179.78060
   46    45 S   HA   _H10    42     1.08605   119.81617   179.67374
   47    43 S   CM   _C13    54     1.50514   119.60839     0.14935
   48    45 S   CA   _C6_    43     1.39039   119.59417    -0.21761
   49    47 S   CM   _C14    55     1.36418   116.07221    82.39927
   50    48 S   CA   _C7_    44     1.39201   120.72310    -0.01978
   51    50 S   HA   _H11    45     1.08590   121.00037  -179.92867
   52    48 S   OH   _O43    48     1.36627   118.21188  -179.96574
   53    52 S   HO   _H21    49     0.97226   108.50307   179.70993
   54    49 S   CO4  _C15    56     1.48313   118.99532  -173.25983
   55    54 S   O    _O33    57     1.22112   124.92051   156.86130
   56    49 S   OS1  _O36    64     1.38589   121.28229     0.61102
   57    38 S   CA   _C8_    46     1.40568   122.12259    69.79689
   58    57 S   HA   _H12    47     1.08730   120.48270    -0.15066
   59    54 S   CO4  _C16    58     1.49267   117.24198   -21.10094
   60    59 S   O    _O35    59     1.22045   119.80865  -155.60529
   61    56 S   CO1  _C19    65     1.44153   118.83458   128.61503
   62    61 S   HC   _H4_    66     1.09774   103.53357  -166.00541
   63    59 S   CM   _C17    60     1.46334   116.60118    26.25766
   64    63 S   HC   _H14    61     1.08598   116.85534   165.37942
   65    61 S   CT   _C20    67     1.54034   113.85916   -48.84706
   66    65 S   HC   _H5_    68     1.09548   111.62939    54.69652
   67    47 S   CMA  _C18    62     1.51402   123.23118   -94.27347
   68    67 S   OM   _O34    63     1.26224   112.93919     4.49449
   69    65 S   CT   _C21    69     1.53180   111.39329   176.97282
   70    69 S   HC   _H6_    70     1.09694   110.13693    75.96501
   71    65 S   OH5  _O41    85     1.42828   109.87417   -64.00343
   72    71 S   HO   _H20    86     0.97626   107.81766    61.15683
   73    69 S   CT   _C22    71     1.53002   111.81898   -46.89683
   74    73 S   HC   _H7_    72     1.09700   109.22361   -69.99617
   75    69 S   OH5  _O40    83     1.43110   109.63016  -168.33635
   76    75 S   HO   _H19    84     0.97232   108.07906    60.13738
   77    73 S   CT   _C23    73     1.53023   110.34791    51.38567
   78    77 S   HC   _H8_    74     1.09824   110.96769    62.47001
   79    73 S   OH5  _O39    81     1.42659   109.60423   172.99722
   80    79 S   HO   _H18    82     0.97259   108.10956   -56.85276
   81    61 S   OS1  _O37    75     1.42651   111.57678    79.12950
   82    77 S   CT   _C24    76     1.53012   111.57480  -176.59809
   83    82 S   HC   _H15    77     1.09513   110.97064    70.29590
   84    82 S   HC   _H16    78     1.09387   111.65304   -52.14201
   85    82 S   OH5  _O38    79     1.42527   109.08287  -171.00960
   86    85 S   HO   _H17    80     0.97230   107.00320  -176.42565
  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  12   8   3   8   4   8   3   7   3  10   6
  12   5   3   2   1   8   4  10   1   1   5   3  13   6   3   2
  12   7   1   1  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    50    51    57    58    39    40    43  
   40    43    44    47    49    67    41    57  
   43    44    47  
   42    45    46    48    50    57    58    52  
   45    46    48    57  
   44    47    49    54    63    67    68    56  
   47    49    67  
   46    48    50    51    57    52    53  
   48    50    52  
   49    54    55    59    63    64    67    68    56    61  
   50    51    57    58    52    53  
   54    55    59    60    63    67    68    56    61    62    65    81  
   51    57    58    52    53  
   57    58    52  
   53    57  
    0  
   55    59    60    63    64    67    56    61  
   59    60    63    56  
   61    62    65    66    69    77    81    71    59    67  
   58  
    0  
   60    63    64    67    68  
   63    64    67  
   62    65    66    69    70    73    77    78    81    82    75    71    72  
   65    66    69    77    81    71  
   64    67    68  
   67    68  
   66    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   68  
    0  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760  -1.202400   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    52   450.000  1.364
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    58   367.000  1.080
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   465.000  1.376
   47    49   549.000  1.340
   47    67   465.000  1.376
   49    54   320.000  1.462
   49    56   440.000  1.360
   54    55   570.000  1.229
   54    59   250.000  1.523
   59    60   570.000  1.229
   59    63   320.000  1.462
   63    64   340.000  1.080
   63    67   465.000  1.376
   67    68   745.000  1.250
   56    61   370.000  1.399
   61    62   360.000  1.097
   61    65   255.000  1.525
   61    81   370.000  1.399
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    50    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    57    63.00000  120.00000
   48    52    53    35.00000  113.00000
   50    57    58    35.00000  120.00000
   57    38    41    63.00000  120.00000
   57    50    51    35.00000  120.00000
   52    48    50    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    70.00000  123.01800
   43    39    40    40.00000  120.50800
   43    47    49    70.00000  117.34000
   43    47    67    70.00000  117.34000
   47    43    44    65.00000  137.10300
   47    49    54    65.00000  118.96000
   47    49    56    80.00000  120.01400
   47    67    63    70.00000  123.01800
   47    67    68    65.00000  137.10300
   49    54    55    80.00000  123.72100
   49    54    59    65.00000  116.00000
   49    56    61    90.00000  111.18400
   54    59    60    80.00000  119.30300
   54    59    63    65.00000  116.00000
   59    54    55    80.00000  119.30300
   59    63    64    40.00000  117.72500
   59    63    67    60.00000  125.92000
   63    59    60    80.00000  123.72100
   63    67    68    65.00000  137.10300
   67    47    49    70.00000  117.34000
   67    63    64    40.00000  120.50800
   56    49    54    85.00000  116.28000
   56    61    62    60.00000  105.75400
   56    61    65    90.00000  109.70700
   56    61    81   110.00000  113.16000
   61    65    66    45.00000  109.54000
   61    65    69    70.00000  111.10000
   61    65    71    90.00000  109.42000
   61    81    77    90.00000  112.10700
   65    61    62    45.00000  111.65000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    61    62    60.00000  105.75400
   81    61    65    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    50   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    50   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    57   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    50   -57    38   3.62500 -1.0 2.0
   48    50    57    58   3.62500 -1.0 2.0
   50    48    52    53   0.84100 -1.0 2.0
   51    50    57    38   3.62500 -1.0 2.0
   51    50    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   52    48    50    51   3.62500 -1.0 2.0
   52    48    50    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49   7.00000 -1.0 2.0
   39    43    47    67   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    54   7.00000 -1.0 2.0
   43    47    49    56   7.00000 -1.0 2.0
   43    47    67    63   7.00000 -1.0 2.0
   43    47    67    68   7.00000 -1.0 2.0
   44    43    47    49   7.00000 -1.0 2.0
   44    43    47    67   7.00000 -1.0 2.0
   47    49    54    55   1.00000 -1.0 2.0
   47    49    54    59   0.50400  1.0 1.0
   47    49    54    59   1.60000 -1.0 2.0
   47    49    54    59  -0.01800  1.0 3.0
   47    49    56    61  -2.26850  1.0 1.0
   47    49    56    61   3.39050 -1.0 2.0
   49    47    67    63   7.00000 -1.0 2.0
   49    47    67    68   7.00000 -1.0 2.0
   49    54    59    60   0.03000  1.0 1.0
   49    54    59    60   0.58800 -1.0 2.0
   49    54    59    60   0.15550  1.0 3.0
   49    54   -59    63   0.43900  1.0 1.0
   49    54   -59    63  -0.18150 -1.0 2.0
   49    54   -59    63  -0.03650  1.0 3.0
   49    56    61    62   0.08050  1.0 3.0
   49    56    61    65  -0.46850  1.0 1.0
   49    56    61    65   0.09300 -1.0 2.0
   49    56    61    65  -0.12850  1.0 3.0
   49    56    61    81  -0.48150  1.0 1.0
   49    56    61    81   0.09250 -1.0 2.0
   49    56    61    81  -0.12850  1.0 3.0
   54    49    56    61   0.15100 -1.0 2.0
   54    59    63    64   0.92800 -1.0 2.0
   54    59    63    67   0.50400  1.0 1.0
   54    59    63    67   1.60000 -1.0 2.0
   54    59    63    67  -0.01800  1.0 3.0
   55    54    59    60   0.06100 -1.0 2.0
   55    54    59    63   0.03000  1.0 1.0
   55    54    59    63   0.58800 -1.0 2.0
   55    54    59    63   0.15550  1.0 3.0
   59    63   -67    47   7.00000 -1.0 2.0
   59    63    67    68   7.00000 -1.0 2.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    67   1.00000 -1.0 2.0
   64    63    67    47   7.00000 -1.0 2.0
   64    63    67    68   7.00000 -1.0 2.0
   67    47   -49    54   7.00000 -1.0 2.0
   67    47    49    56   7.00000 -1.0 2.0
   56    49    54    55  -0.11900  1.0 1.0
   56    49    54    55   0.76850 -1.0 2.0
   56    49    54    55   0.14100  1.0 3.0
   56    49    54    59   1.50000 -1.0 2.0
   56    61    65    66   0.23400  1.0 3.0
   56    61    65    69   0.62750  1.0 1.0
   56    61    65    69  -0.30950 -1.0 2.0
   56    61    65    69   0.27300  1.0 3.0
   56    61    65    71   1.51850  1.0 1.0
   56    61    81    77  -0.70400  1.0 1.0
   56    61    81    77  -0.90350 -1.0 2.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    73   0.56750  1.0 1.0
   61    65    69    73  -0.07550 -1.0 2.0
   61    65    69    73   0.20000  1.0 3.0
   61    65    69    75  -0.47750  1.0 1.0
   61    65    71    72   0.29150  1.0 1.0
   61    65    71    72  -0.28350 -1.0 2.0
   61    65    71    72   0.43600  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    65    71   0.23400  1.0 3.0
   62    61    81    77   0.37050  1.0 3.0
   65    61    81    77   0.06250  1.0 1.0
   65    61    81    77  -0.01100 -1.0 2.0
   65    61    81    77   0.28050  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69   -73    77   0.56750  1.0 1.0
   65    69   -73    77  -0.07550 -1.0 2.0
   65    69   -73    77   0.20000  1.0 3.0
   65    69    73    79  -0.47750  1.0 1.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    61   0.06250  1.0 1.0
   73    77   -81    61  -0.01100 -1.0 2.0
   73    77   -81    61   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    61   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    61    65    66   0.23400  1.0 3.0
   81    61   -65    69   0.62750  1.0 1.0
   81    61   -65    69  -0.30950 -1.0 2.0
   81    61   -65    69   0.27300  1.0 3.0
   81    61    65    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    61   0.06250  1.0 1.0
   82    77    81    61  -0.01100 -1.0 2.0
   82    77    81    61   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
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
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    52    48    45   4.00000 -1.0 2.0
   57    51    50    48   1.10000 -1.0 2.0
   50    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   43    67    47    49   1.10000 -1.0 2.0
   54    56    49    47   1.10000 -1.0 2.0
   49    59    54    55  10.50000 -1.0 2.0
   54    63    59    60  10.50000 -1.0 2.0
   59    64    63    67   1.10000 -1.0 2.0
   47    68    67    63   1.10000 -1.0 2.0
END
