* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    134    203     388
    1     0 S   NP   _N1_     1    28.84588    95.36287   -19.97295
    2     1 S   H    _HN1     2     1.02956    90.92602    27.01650
    3     1 S   H    _H1_     3     1.02876    40.58603   142.38494
    4     1 S   H    _H2_     4     1.02750    78.60830   -81.62771
    5     1 S   CT   _CA1     5     1.49973   149.88216   163.18685
    6     5 S   HC   _HA1     6     1.09565   105.39969    45.07000
    7     5 S   CO3  _C1_     7     1.53749   112.40560   -75.50493
    8     7 S   O2Z  _O11     8     1.26361   114.86846   -43.80884
    9     7 S   O2Z  _O12     9     1.26228   114.75604   136.02056
   10     5 S   CT   _CB1    10     1.53140   107.71892   163.35519
   11    10 S   HC   HB11    11     1.09807   109.63026   -51.25487
   12    10 S   HC   HB12    12     1.09828   110.30530    65.40441
   13    10 S   CT   _CG1    13     1.53001   112.40363  -172.38877
   14    13 S   HC   HG11    14     1.09594   110.38289   -57.89186
   15    13 S   HC   HG12    15     1.09629   110.12069    61.25836
   16    13 S   C    _CD1    16     1.51682   112.49307  -178.09012
   17    16 S   O    _OE1    17     1.22686   123.33820   -10.65636
   18    16 S   N    _N2_    18     1.38574   111.35231   169.66602
   19    18 S   H    _HN2    19     1.01586   118.96687     2.50897
   20    18 S   CT1  _CA2    20     1.46138   123.65843  -176.47225
   21    20 S   HC   _HA2    21     1.09720   109.55317    -7.61530
   22    20 S   C    _C2_    22     1.53378   108.28268  -123.51212
   23    22 S   O    _O2_    23     1.23013   122.31422  -144.25758
   24    20 S   CT   _CB2    32     1.53333   110.86922   114.41524
   25    24 S   HC   HB21    33     1.09531   109.62362    54.78879
   26    24 S   HC   HB22    34     1.09510   110.62330   173.68220
   27    22 S   N    _N3_    24     1.38531   113.36758    43.04884
   28    27 S   H    _HN3    25     1.01516   118.93760    -0.46855
   29    24 S   S    _SG2    35     1.82838   111.62244   -66.65722
   30    27 S   CT   _CA3    26     1.45444   123.37569   175.17257
   31    30 S   HC   HA31    27     1.09528   109.15399    26.12728
   32    30 S   HC   HA32    28     1.09494   107.14520   143.11211
   33    29 S   CT   _C18    36     1.84126    99.35484   165.75180
   34    33 S   HC   _H3_    37     1.09563   105.28803    37.64492
   35    30 S   CO3  _C3_    29     1.52927   113.16048   -97.29474
   36    35 S   O2Z  _O31    30     1.26398   115.42001   -44.39385
   37    35 S   O2Z  _O32    31     1.26358   114.97241   136.54640
   38    33 S   CA   _C13    38     1.52028   111.48885   -81.47524
   39    33 S   CM   _C19    75     1.50611   108.93409   153.76090
   40    39 S   HC   _H16    76     1.09056   118.03067    39.58926
   41    38 S   CA   _C12    39     1.40771   121.72370   -65.67518
   42    41 S   HA   _H10    40     1.08956   119.07994     0.39713
   43    39 S   CMA  _C20    77     1.51701   122.52004  -142.28782
   44    43 S   OM   _O37    78     1.26224   119.38786   174.39028
   45    43 S   OM   _O38    79     1.26222   122.22339    -5.86568
   46    41 S   CA   _C11    41     1.40644   121.84448  -179.00692
   47    46 S   CA   _C9_    42     1.47628   120.18418   178.65608
   48    46 S   CA   _C16    64     1.40458   117.52202    -0.61612
   49    47 S   CA   _C8_    43     1.40634   120.40552   116.52358
   50    49 S   HA   _H8_    44     1.09014   119.17486    -0.52227
   51    48 S   CA   _C15    65     1.40336   121.93083     0.34830
   52    48 S   OH   _O35    73     1.37512   118.90003   179.37536
   53    52 S   HO   _H12    74     0.97357   107.31233  -179.10847
   54    49 S   CA   _C7_    45     1.40492   121.64177  -179.91153
   55    38 S   CA   _C14    66     1.40447   119.50105   114.90278
   56    55 S   HA   _H11    67     1.08629   118.19439    -0.15949
   57    51 S   OS   _O36    68     1.37196   115.49343   179.85065
   58    54 S   CA   _C6_    46     1.40308   119.16031    -0.82662
   59    58 S   HA   _H7_    47     1.08595   118.78010  -178.25112
   60    54 S   CM   _C21    57     1.47302   118.75257  -178.23675
   61    60 S   HC   _H17    58     1.08725   115.46557    33.34849
   62    57 S   CT   _C17    69     1.42280   116.91550  -178.56128
   63    62 S   HC   _H13    70     1.09429   107.72367   179.42904
   64    62 S   HC   _H14    71     1.09501   111.16411    61.70547
   65    62 S   HC   _H15    72     1.09499   111.12140   -62.87661
   66    58 S   CA   _C5_    48     1.39673   120.59460     1.03060
   67    60 S   CM   _C22    59     1.34136   124.05124  -144.36333
   68    67 S   HC   _H18    60     1.08847   120.35972     0.83181
   69    47 S   CA   _C10    49     1.40534   122.06841   -63.68136
   70    66 S   OS   _O33    52     1.37189   125.40975   179.90721
   71    67 S   CO3  _C23    61     1.53345   121.56245   178.37888
   72    71 S   O2Z  _O40    62     1.26270   117.00020    12.96688
   73    71 S   O2Z  _O39    63     1.26661   113.92219  -167.77598
   74    69 S   OH   _O34    50     1.37471   118.83646    -0.66500
   75    74 S   HO   _H9_    51     0.97337   107.56876   179.40258
   76    70 S   CT   _C4_    53     1.42265   116.99259    -2.26175
   77    76 S   HC   _H4_    54     1.09429   107.72635  -178.56892
   78    76 S   HC   _H5_    55     1.09492   111.08670    63.75772
   79    76 S   HC   _H6_    56     1.09504   111.19969   -60.81962
  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   6   3  10   4   2   1   1  13  13   9
  10   4   9   3   1  10   3   1   4   9   4   7   3   3   2   1
   1   8   4   3   4   5   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    51    55    56    39    40    43    44    45  
   38    41    55    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    51    55    56    57    39    40    43  
   40    43    44    45    41    55  
   43    44    45  
   42    46    47    49    69    48    51    55    56    52  
   46    47    48    55  
   44    45  
   45  
    0  
   47    49    50    54    66    69    74    48    51    55    57    52    53  
   49    50    54    58    66    69    74    75    70    60    48    51    52  
   51    55    56    57    62    52    53    49    69  
   50    54    58    59    66    69    74    60    61    67  
   54    58    69    60  
   55    56    57    62    63    64    65    52    53  
   53    55    57  
    0  
   58    59    66    69    70    60    61    67    68    71  
   56    57    62  
   57  
   62    63    64    65  
   59    66    69    74    70    76    60    61    67  
   66    69    70    60  
   61    67    68    71    72    73    66  
   67    68    71  
   63    64    65  
   64    65  
   65  
    0  
   69    74    75    70    76    77    78    79  
   68    71    72    73  
   71    72    73  
   74    75    70    76  
   76    77    78    79    74  
   72    73  
   73  
    0  
   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   0.222500   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   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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
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    55   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   375.000  1.464
   46    48   469.000  1.400
   47    49   469.000  1.400
   47    69   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    58   469.000  1.400
   54    60   320.000  1.460
   58    59   367.000  1.080
   58    66   469.000  1.400
   66    69   469.000  1.400
   66    70   450.000  1.364
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   60    61   340.000  1.080
   60    67   549.000  1.340
   67    68   340.000  1.080
   67    71   230.000  1.545
   71    72   656.000  1.250
   71    73   656.000  1.250
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    55   469.000  1.400
   51    57   450.000  1.364
   55    56   367.000  1.080
   57    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   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    45   745.000  1.250
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    55    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    46    63.00000  120.00000
   38    55    51    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    46    47    60.00000  122.76000
   41    46    48    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    47    49    60.00000  122.76000
   46    47    69    60.00000  122.76000
   46    48    51    63.00000  120.00000
   46    48    52    70.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    54    63.00000  120.00000
   47    69    66    63.00000  120.00000
   47    69    74    70.00000  120.00000
   49    54    58    63.00000  120.00000
   49    54    60    60.00000  120.93500
   54    49    50    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    66    63.00000  120.00000
   54    60    61    40.00000  117.26300
   54    60    67    60.00000  123.20500
   58    66    69    63.00000  120.00000
   58    66    70    70.00000  120.00000
   66    58    59    35.00000  120.00000
   66    69    74    70.00000  120.00000
   66    70    76    75.00000  111.00000
   69    47    49    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    66    69    70.00000  120.00000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   60    54    58    60.00000  120.93500
   60    67    68    35.00000  120.00000
   60    67    71    55.00000  124.75400
   67    60    61    35.00000  120.00000
   67    71    72    85.00000  113.83300
   67    71    73    85.00000  113.83300
   71    67    68    40.00000  118.53000
   73    71    72    80.00000  126.00000
   48    46    47    60.00000  122.76000
   48    51    55    63.00000  120.00000
   48    51    57    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    55    56    35.00000  120.00000
   51    57    62    75.00000  111.00000
   55    38    41    63.00000  120.00000
   57    51    55    70.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   52    48    51    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    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
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    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   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    46   3.62500 -1.0 2.0
   33    38    55    51   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   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    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    55    51   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    46    47    49  -0.19450  1.0 1.0
   41    46    47    49   0.63300 -1.0 2.0
   41    46    47    49   0.07450  1.0 3.0
   41    46    47    69  -0.19450  1.0 1.0
   41    46    47    69   0.63300 -1.0 2.0
   41    46    47    69   0.07450  1.0 3.0
   41    46   -48    51   3.62500 -1.0 2.0
   41    46    48    52   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    54   3.62500 -1.0 2.0
   46    47    69    66   3.62500 -1.0 2.0
   46    47    69    74   3.62500 -1.0 2.0
   46    48    51    55   3.62500 -1.0 2.0
   46    48    51    57   3.62500 -1.0 2.0
   46    48    52    53   0.84100 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   47    46    48    52   3.62500 -1.0 2.0
   47    49    54    58   3.62500 -1.0 2.0
   47    49    54    60   3.62500 -1.0 2.0
   47    69    74    75   0.84100 -1.0 2.0
   49    47    69    66   3.62500 -1.0 2.0
   49    47    69    74   3.62500 -1.0 2.0
   49    54    58    59   3.62500 -1.0 2.0
   49    54   -58    66   3.62500 -1.0 2.0
   49    54    60    61   0.56550  1.0 3.0
   49    54    60    67   0.15800  1.0 1.0
   49    54    60    67   1.85350 -1.0 2.0
   49    54    60    67  -0.48700  1.0 3.0
   50    49    54    58   3.62500 -1.0 2.0
   50    49    54    60   3.62500 -1.0 2.0
   54    58    66    69   3.62500 -1.0 2.0
   54    58    66    70   3.62500 -1.0 2.0
   54    60    67    68   7.00000 -1.0 2.0
   54    60    67    71   7.00000 -1.0 2.0
   58    54    60    61   0.56550  1.0 3.0
   58    54    60    67   0.15800  1.0 1.0
   58    54    60    67   1.85350 -1.0 2.0
   58    54    60    67  -0.48700  1.0 3.0
   58    66   -69    47   3.62500 -1.0 2.0
   58    66    69    74   3.62500 -1.0 2.0
   58    66    70    76   1.63200 -1.0 2.0
   59    58    66    69   3.62500 -1.0 2.0
   59    58    66    70   3.62500 -1.0 2.0
   66    69    74    75   0.84100 -1.0 2.0
   66    70    76    77   0.08050  1.0 3.0
   66    70    76    78   0.08050  1.0 3.0
   66    70    76    79   0.08050  1.0 3.0
   69    47    49    50   3.62500 -1.0 2.0
   69    47   -49    54   3.62500 -1.0 2.0
   69    66    70    76   1.63200 -1.0 2.0
   70    66    69    47   3.62500 -1.0 2.0
   70    66    69    74   3.62500 -1.0 2.0
   60    54    58    59   3.62500 -1.0 2.0
   60    54    58    66   3.62500 -1.0 2.0
   60    67    71    72  -0.04000 -1.0 2.0
   60    67    71    72  -0.29050  1.0 3.0
   60    67    71    73  -0.04000 -1.0 2.0
   60    67    71    73  -0.29050  1.0 3.0
   61    60    67    68   7.00000 -1.0 2.0
   61    60    67    71   7.00000 -1.0 2.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   48    46    47    49  -0.19450  1.0 1.0
   48    46    47    49   0.63300 -1.0 2.0
   48    46    47    49   0.07450  1.0 3.0
   48    46    47    69  -0.19450  1.0 1.0
   48    46    47    69   0.63300 -1.0 2.0
   48    46    47    69   0.07450  1.0 3.0
   48    51   -55    38   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    57    62   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    57    62    63   0.08050  1.0 3.0
   51    57    62    64   0.08050  1.0 3.0
   51    57    62    65   0.08050  1.0 3.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    46   3.62500 -1.0 2.0
   55    51    57    62   1.63200 -1.0 2.0
   57    51    55    38   3.62500 -1.0 2.0
   57    51    55    56   3.62500 -1.0 2.0
   52    48    51    55   3.62500 -1.0 2.0
   52    48    51    57   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    55   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   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
   41    55    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    48    46    41   4.00000 -1.0 2.0
   49    69    47    46   4.00000 -1.0 2.0
   54    50    49    47   1.10000 -1.0 2.0
   58    60    54    49   4.00000 -1.0 2.0
   66    59    58    54   1.10000 -1.0 2.0
   69    70    66    58   4.00000 -1.0 2.0
   66    74    69    47   4.00000 -1.0 2.0
   54    61    60    67  15.00000 -1.0 2.0
   71    68    67    60  15.00000 -1.0 2.0
   72    67    71    73  10.50000 -1.0 2.0
   51    52    48    46   4.00000 -1.0 2.0
   55    57    51    48   4.00000 -1.0 2.0
   51    56    55    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
