* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    160    258     475
    1     0 S   NP   _N1_     1    31.97309   101.99116   -23.40974
    2     1 S   H    _HN1     2     1.02868    70.02795   -98.49457
    3     1 S   H    _H1_     3     1.02743    81.46966   149.54537
    4     1 S   H    _H2_     4     1.03465   170.69129   -19.67643
    5     1 S   CT   _CA1     5     1.50165    61.74502    29.98495
    6     5 S   HC   _HA1     6     1.09544   104.96845   125.13614
    7     5 S   CO3  _C1_     7     1.53709   113.31263     4.43721
    8     7 S   O2Z  _O11     8     1.26415   115.07867   -30.40965
    9     7 S   O2Z  _O12     9     1.26240   115.10256   149.04301
   10     5 S   CT   _CB1    10     1.52945   107.32399  -116.42876
   11    10 S   HC   HB11    11     1.09553   109.26433   -40.62172
   12    10 S   HC   HB12    12     1.09837   110.50091    74.94979
   13    10 S   CT   _CG1    13     1.53257   113.14371  -163.01475
   14    13 S   HC   HG11    14     1.09528   111.00739   -91.67527
   15    13 S   HC   HG12    15     1.09629   111.52453    27.87904
   16    13 S   C    _CD1    16     1.51478   109.17420   148.05167
   17    16 S   O    _OE1    17     1.22770   122.15340    92.83411
   18    16 S   N    _N2_    18     1.38413   112.19985   -83.65823
   19    18 S   H    _HN2    19     1.01822   119.15775    -7.01218
   20    18 S   CT1  _CA2    20     1.45995   123.37095   171.29554
   21    20 S   HC   _HA2    21     1.09666   108.82214    31.67075
   22    20 S   C    _C2_    22     1.53300   108.45277   -85.15840
   23    22 S   O    _O2_    23     1.23101   121.21986   151.43112
   24    20 S   CT   _CB2    32     1.53265   111.57570   155.38195
   25    24 S   HC   HB21    33     1.09372   109.29444    59.44077
   26    24 S   HC   HB22    34     1.09575   109.97413   177.43876
   27    22 S   N    _N3_    24     1.38424   114.29490   -35.97962
   28    27 S   H    _HN3    25     1.01563   119.22966     2.47607
   29    24 S   S    _SG2    35     1.83261   110.70190   -63.01840
   30    27 S   CT   _CA3    26     1.45256   123.41870  -177.60347
   31    30 S   HC   HA31    27     1.09555   108.20824   -45.90659
   32    30 S   HC   HA32    28     1.09546   107.23427    70.47709
   33    29 S   CT   _C18    36     1.87735   103.46166   156.28488
   34    33 S   OM   _O37    37     1.32103   112.23373    25.91972
   35    30 S   CO3  _C3_    29     1.53069   114.35124  -168.06876
   36    35 S   O2Z  _O31    30     1.26453   116.38419     3.46611
   37    35 S   O2Z  _O32    31     1.26421   114.40735  -176.81408
   38    33 S   CM   _C19    38     1.54289   105.41830   -92.26994
   39    33 S   CT   _C17    70     1.60206   111.40860   146.49030
   40    39 S   HC   _H4_    71     1.10215   105.62230  -170.83934
   41    38 S   CMA  _C21    39     1.36196   126.94356  -109.24208
   42    41 S   OM   _O34    40     1.27015   129.88793   176.18279
   43    39 S   NT   _N5_    72     1.48900   121.38051   -54.75326
   44    38 S   C    _C20    83     1.50901   118.95557    68.99956
   45    44 S   O    _O33    84     1.22721   122.78729   -85.59211
   46    41 S   CT   _C22    41     1.54926   118.71405    -3.05422
   47    43 S   CT   _C24    73     1.45393   118.76246    65.99515
   48    47 S   HC   _H16    74     1.09665   109.37862   157.07682
   49    47 S   HC   _H17    75     1.09393   112.71855    39.66631
   50    47 S   HC   _H18    76     1.09399   112.83646   -84.33855
   51    43 S   CT   _C25    77     1.45804   114.85631   -68.99892
   52    51 S   HC   _H19    78     1.09633   110.12080  -164.11615
   53    51 S   HC   _H20    79     1.09458   112.57963    75.93562
   54    51 S   HC   _H21    80     1.09549   111.43328   -46.74389
   55    44 S   N    _N4_    85     1.37521   112.95382    95.45549
   56    55 S   H    _H13    86     1.01424   121.50960    -0.61676
   57    55 S   H    _H14    87     1.01233   120.74903   179.27449
   58    46 S   CO4  _C23    42     1.54874   110.31585   -99.70592
   59    58 S   O    _O35    43     1.23059   122.31712   -20.27924
   60    46 S   OH   _O36    81     1.43887   110.81853   144.46807
   61    60 S   HO   _H15    82     0.97476   105.98656    34.97279
   62    58 S   CA   _C13    44     1.50267   119.20046   161.20546
   63    62 S   CA   _C14    45     1.40142   119.76120    -5.59745
   64    62 S   CA   _C12    56     1.41153   120.85747   174.78474
   65    63 S   CA   _C5_    46     1.42216   119.42286   176.55429
   66    64 S   OH   _O38    57     1.37734   120.66670    -0.40154
   67    66 S   HO   _H22    58     0.97256   109.76318     1.25476
   68    63 S   CT   _C15    65     1.51112   120.40706    -1.28968
   69    68 S   HC   _H11    66     1.09836   107.35867    98.55199
   70    68 S   HC   _H12    67     1.09301   110.20205  -146.63612
   71    65 S   CA   _C6_    47     1.43028   120.78685     6.55347
   72    65 S   CT   _C4_    61     1.51814   119.65363  -175.03912
   73    72 S   HC   _H5_    62     1.09414   110.03078   -96.10765
   74    72 S   HC   _H6_    63     1.09342   112.58678    25.68357
   75    72 S   HC   _H7_    64     1.09450   111.36370   142.00486
   76    46 S   CT   _C16    68     1.54074   113.33521    23.81848
   77    76 S   HC   _H3_    69     1.09948   108.57535    65.30514
   78    71 S   CA   _C7_    48     1.41892   122.16161   174.61148
   79    78 S   HA   _H8_    49     1.08767   121.06207    -1.57595
   80    78 S   CA   _C8_    50     1.39343   122.74865   179.24153
   81    80 S   HA   _H9_    51     1.08598   120.09883  -179.95154
   82    80 S   CA   _C9_    52     1.38061   119.56465     0.18557
   83    82 S   HA   _H10    53     1.08598   119.45987  -179.92338
   84    82 S   CA   _C10    54     1.39563   119.29453     0.46013
   85    71 S   CA   _C11    55     1.41903   119.79921    -5.08977
   86    84 S   OH   _O39    59     1.37467   117.22805   179.52440
   87    86 S   HO   _H23    60     0.97158   109.41410     0.21489
  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   9   5   4   3
  16   7   2   1   1  14  21   7  13   5  12   5   3  12   8   3
   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15  10
  14   4   1   6   3   2  12   5   2   1   1   1   1   7   4   6
   3   5   3   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    76    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    68    76    77    39    40    43    47    51    44    45    55  
   38    41    76    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    58    76    39    40    43    60    44    45    55    56    57  
   40    43    47    48    49    50    51    52    53    54    60    44    41    46    58    63    68    69    70    76    77  
   43    47    51    46    68    76    77  
   42    46    58    59    62    68    76    77    60    61    44    45    55  
   46    58    76    60    44  
   47    48    49    50    51    52    53    54    46    68    76    77  
   45    55    56    57    46  
   55    56    57  
   58    59    62    63    64    68    69    70    76    77    60    61  
   48    49    50    51    52    53    54    76  
   49    50    51  
   50    51  
   51  
   52    53    54    76  
   53    54  
   54  
    0  
   56    57  
   57  
    0  
   59    62    63    65    85    64    66    68    76    77    60    61  
   62    63    64    76    60  
   61    62    68    76    77  
   76  
   63    65    71    84    85    64    66    67    72    68    69    70    76  
   65    71    78    85    64    66    72    73    74    75    68    69    70    76    77  
   66    67    86    68    65    71    78    82    84    85  
   71    78    79    80    84    85    72    73    74    75    68    69    70    76  
   67    71    84    85  
   85  
   69    70    76    77    71    72  
   70    76    77  
   76    77  
   78    79    80    81    82    84    85    86    72    73    74    75  
   73    74    75    78    85  
   74    75  
   75  
    0  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82    85  
   81    82    83    84    85    86  
   82    83    84  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   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  -0.115000   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    44   410.000  1.444
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    58   317.000  1.522
   46    76   268.000  1.529
   46    60   320.000  1.410
   58    59   570.000  1.229
   58    62   310.000  1.470
   62    63   469.000  1.400
   62    64   469.000  1.400
   63    65   469.000  1.400
   63    68   317.000  1.510
   65    71   469.000  1.400
   65    72   317.000  1.510
   71    78   469.000  1.400
   71    85   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   469.000  1.400
   84    86   450.000  1.364
   85    64   469.000  1.400
   64    66   450.000  1.364
   66    67   553.000  0.945
   86    87   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    76   268.000  1.529
   76    77   340.000  1.090
   76    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    47   382.000  1.448
   43    51   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   60    61   553.000  0.945
   44    45   570.000  1.229
   44    55   490.000  1.335
   55    56   434.000  1.010
   55    57   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    44    70.00000  119.70000
   33    39    76    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    46    65.00000  122.18000
   38    44    45    80.00000  125.30000
   38    44    55    80.00000  111.56200
   41    46    58    70.00000  109.06800
   41    46    76    70.00000  112.02700
   41    46    60    90.00000  110.39200
   46    41    42    85.00000  112.85300
   46    58    59    80.00000  120.40000
   46    58    62    65.00000  115.47100
   46    76    68    58.35000  112.70000
   46    76    77    37.50000  110.70000
   46    76    39    58.35000  112.70000
   46    60    61    55.00000  108.50000
   58    62    63    60.00000  119.52600
   58    62    64    60.00000  119.52600
   62    58    59    75.00000  123.78400
   62    63    65    63.00000  120.00000
   62    63    68    70.00000  120.00000
   62    64    85    63.00000  120.00000
   62    64    66    70.00000  120.00000
   63    65    71    63.00000  120.00000
   63    65    72    70.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    76    70.00000  112.17500
   65    71    78    63.00000  120.00000
   65    71    85    63.00000  120.00000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   71    78    79    35.00000  120.00000
   71    78    80    63.00000  120.00000
   71    85    84    63.00000  120.00000
   71    85    64    63.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    63.00000  120.00000
   82    84    86    70.00000  120.00000
   84    82    83    35.00000  120.00000
   84    85    64    63.00000  120.00000
   84    86    87    35.00000  113.00000
   85    71    78    63.00000  120.00000
   85    64    66    70.00000  120.00000
   64    62    63    63.00000  120.00000
   64    66    67    35.00000  113.00000
   86    84    85    70.00000  120.00000
   72    65    71    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    63    65    70.00000  120.00000
   68    76    77    37.50000  110.70000
   68    76    39    58.35000  112.70000
   70    68    69    33.00000  107.80000
   76    46    58    63.00000  111.10000
   76    68    69    37.50000  110.70000
   76    68    70    37.50000  110.70000
   76    39    40    37.50000  110.70000
   76    39    43    56.20000  109.47000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    76    77    37.50000  110.70000
   39    43    47    51.80000  107.20000
   39    43    51    51.80000  107.20000
   43    39    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   43    51    52    35.00000  109.50000
   43    51    53    35.00000  109.50000
   43    51    54    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    47    51.80000  107.20000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   60    46    58    90.00000  109.61100
   60    46    76    50.00000  109.50000
   44    38    41    60.00000  120.04000
   44    55    56    35.00000  119.80000
   44    55    57    35.00000  119.80000
   55    44    45    80.00000  122.90000
   57    55    56    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    44   0.09700  1.0 1.0
   29    33    38    44   0.15600 -1.0 2.0
   29    33    38    44  -0.50800  1.0 3.0
   29    33    39    76   0.44750  1.0 1.0
   29    33    39    76  -0.17800 -1.0 2.0
   29    33    39    76   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    44    45  -0.64400  1.0 1.0
   33    38    44    45   0.26850 -1.0 2.0
   33    38    44    55   1.59650  1.0 1.0
   33    38    44    55   0.42750 -1.0 2.0
   33    38    44    55  -0.48350  1.0 3.0
   33    39    43    47   0.23450  1.0 1.0
   33    39    43    47   0.02050 -1.0 2.0
   33    39    43    47   0.25250  1.0 3.0
   33    39    43    51   0.23450  1.0 1.0
   33    39    43    51   0.02050 -1.0 2.0
   33    39    43    51   0.25250  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    44   0.09700  1.0 1.0
   34    33    38    44   0.15600 -1.0 2.0
   34    33    38    44  -0.50800  1.0 3.0
   34    33    39    76   0.62750  1.0 1.0
   34    33    39    76  -0.30950 -1.0 2.0
   34    33    39    76   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.74050  1.0 1.0
   38    33    39    76   0.34400  1.0 1.0
   38    33    39    76   0.09450 -1.0 2.0
   38    33    39    76   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.59950  1.0 1.0
   38    33    39    43  -0.21400 -1.0 2.0
   38    33    39    43   0.56200  1.0 3.0
   38    41    46    58  -0.51250  1.0 1.0
   38    41    46    58  -0.88800 -1.0 2.0
   38    41    46    58   0.08850  1.0 3.0
   38    41   -46    76   0.09850  1.0 1.0
   38    41   -46    76   0.15250 -1.0 2.0
   38    41   -46    76  -0.50650  1.0 3.0
   38    41    46    60   0.67800  1.0 1.0
   38    41    46    60   0.47050 -1.0 2.0
   38    41    46    60  -0.62500  1.0 3.0
   38    44    55    56   2.56700 -1.0 2.0
   38    44    55    57   2.56700 -1.0 2.0
   41    38    44    45   1.00000 -1.0 2.0
   41    38    44    55   0.49500  1.0 1.0
   41    38    44    55   1.31600 -1.0 2.0
   41    38    44    55  -0.02300  1.0 3.0
   41    46    58    59   0.30150 -1.0 2.0
   41    46    58    62   0.65300  1.0 1.0
   41    46    58    62  -0.03850 -1.0 2.0
   41    46    58    62   0.33900  1.0 3.0
   41    46    76    68   0.34400  1.0 1.0
   41    46    76    68   0.09450 -1.0 2.0
   41    46    76    68   0.11100  1.0 3.0
   41    46    76    77   0.15000  1.0 3.0
   41    46    76    39   0.34400  1.0 1.0
   41    46    76    39   0.09450 -1.0 2.0
   41    46    76    39   0.11100  1.0 3.0
   41    46    60    61  -0.07800  1.0 1.0
   41    46    60    61  -0.21500 -1.0 2.0
   41    46    60    61  -0.03150  1.0 3.0
   42    41    46    58   0.09700  1.0 1.0
   42    41    46    58   0.15600 -1.0 2.0
   42    41    46    58  -0.50800  1.0 3.0
   42    41    46    76   0.09700  1.0 1.0
   42    41    46    76   0.15600 -1.0 2.0
   42    41    46    76  -0.50800  1.0 3.0
   42    41    46    60   0.09700  1.0 1.0
   42    41    46    60   0.15600 -1.0 2.0
   42    41    46    60  -0.50800  1.0 3.0
   46    58    62    63   2.26350  1.0 1.0
   46    58    62    63   0.76750 -1.0 2.0
   46    58    62    63   0.22500  1.0 3.0
   46    58    62    64   2.26350  1.0 1.0
   46    58    62    64   0.76750 -1.0 2.0
   46    58    62    64   0.22500  1.0 3.0
   46    76   -39    33   0.56750  1.0 1.0
   46    76   -39    33  -0.07550 -1.0 2.0
   46    76   -39    33   0.20000  1.0 3.0
   46    76    39    40   0.15000  1.0 3.0
   46    76    39    43   1.85550  1.0 1.0
   46    76    39    43  -0.84100 -1.0 2.0
   58    46    76    68  -0.95700  1.0 1.0
   58    46    76    68  -0.18200 -1.0 2.0
   58    46    76    68   0.29450  1.0 3.0
   58    46    76    77  -0.11250  1.0 3.0
   58    46    76    39  -0.95700  1.0 1.0
   58    46    76    39  -0.18200 -1.0 2.0
   58    46    76    39   0.29450  1.0 3.0
   58    46    60    61   0.91850  1.0 1.0
   58    46    60    61   0.57950  1.0 3.0
   58    62    63    65   3.62500 -1.0 2.0
   58    62   -63    68   3.62500 -1.0 2.0
   58    62    64    85   3.62500 -1.0 2.0
   58    62    64    66   3.62500 -1.0 2.0
   59    58    62    63   1.05000 -1.0 2.0
   59    58    62    64   1.05000 -1.0 2.0
   62    63    65    71   3.62500 -1.0 2.0
   62    63    65    72   3.62500 -1.0 2.0
   62    63    68    69   0.00000  1.0 1.0
   62    63    68    70   0.00000  1.0 1.0
   62    63    68    76   0.04150 -1.0 2.0
   62    64    66    67   0.84100 -1.0 2.0
   63    62    64    85   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   63    65    71    78   3.62500 -1.0 2.0
   63    65   -71    85   3.62500 -1.0 2.0
   63    65    72    73   0.00000  1.0 1.0
   63    65    72    74   0.00000  1.0 1.0
   63    65    72    75   0.00000  1.0 1.0
   63    68   -76    46  -0.03700  1.0 1.0
   63    68   -76    46   0.37200 -1.0 2.0
   63    68   -76    46  -0.47300  1.0 3.0
   63    68    76    77   0.43200  1.0 3.0
   63    68    76    39  -0.03700  1.0 1.0
   63    68    76    39   0.37200 -1.0 2.0
   63    68    76    39  -0.47300  1.0 3.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    70   0.00000  1.0 1.0
   65    63    68    76   0.04150 -1.0 2.0
   65    71    78    79   3.62500 -1.0 2.0
   65    71    78    80   3.62500 -1.0 2.0
   65    71    85    84   3.62500 -1.0 2.0
   65    71    85    64   3.62500 -1.0 2.0
   71    65    72    73   0.00000  1.0 1.0
   71    65    72    74   0.00000  1.0 1.0
   71    65    72    75   0.00000  1.0 1.0
   71    78    80    81   3.62500 -1.0 2.0
   71    78    80    82   3.62500 -1.0 2.0
   71    85   -64    62   3.62500 -1.0 2.0
   71    85    64    66   3.62500 -1.0 2.0
   78    71    85    84   3.62500 -1.0 2.0
   78    71    85    64   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   78    80   -82    84   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   80    82    84    86   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84   -85    71   3.62500 -1.0 2.0
   82    84    85    64   3.62500 -1.0 2.0
   82    84    86    87   0.84100 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    85    64    62   3.62500 -1.0 2.0
   84    85    64    66   3.62500 -1.0 2.0
   85    71    78    79   3.62500 -1.0 2.0
   85    71   -78    80   3.62500 -1.0 2.0
   85    84    86    87   0.84100 -1.0 2.0
   85    64    66    67   0.84100 -1.0 2.0
   64    62   -63    65   3.62500 -1.0 2.0
   64    62    63    68   3.62500 -1.0 2.0
   86    84    85    71   3.62500 -1.0 2.0
   86    84    85    64   3.62500 -1.0 2.0
   72    65    71    78   3.62500 -1.0 2.0
   72    65    71    85   3.62500 -1.0 2.0
   68    63    65    71   3.62500 -1.0 2.0
   68    63    65    72   3.62500 -1.0 2.0
   68    76    39    33   0.56750  1.0 1.0
   68    76    39    33  -0.07550 -1.0 2.0
   68    76    39    33   0.20000  1.0 3.0
   68    76    39    40   0.15000  1.0 3.0
   68    76    39    43   1.85550  1.0 1.0
   68    76    39    43  -0.84100 -1.0 2.0
   69    68    76    46   0.15000  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    39   0.15000  1.0 3.0
   70    68    76    46   0.15000  1.0 3.0
   70    68    76    77   0.15000  1.0 3.0
   70    68    76    39   0.15000  1.0 3.0
   76    46    58    59   0.30150 -1.0 2.0
   76    46   -58    62   0.05850 -1.0 2.0
   76    46   -58    62   0.17250  1.0 3.0
   76    46    60    61  -0.11600  1.0 1.0
   76    46    60    61  -0.09450 -1.0 2.0
   76    46    60    61   0.21250  1.0 3.0
   76    39    43    47   0.23450  1.0 1.0
   76    39    43    47   0.02050 -1.0 2.0
   76    39    43    47   0.25250  1.0 3.0
   76    39    43    51   0.23450  1.0 1.0
   76    39    43    51   0.02050 -1.0 2.0
   76    39    43    51   0.25250  1.0 3.0
   77    76    39    33   0.15000  1.0 3.0
   77    76    39    40   0.15000  1.0 3.0
   77    76    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    44   0.09700  1.0 1.0
   39    33    38    44   0.15600 -1.0 2.0
   39    33    38    44  -0.50800  1.0 3.0
   39    43    47    48   0.28000  1.0 3.0
   39    43    47    49   0.28000  1.0 3.0
   39    43    47    50   0.28000  1.0 3.0
   39    43    51    52   0.28000  1.0 3.0
   39    43    51    53   0.28000  1.0 3.0
   39    43    51    54   0.28000  1.0 3.0
   40    39    43    47   0.28000  1.0 3.0
   40    39    43    51   0.28000  1.0 3.0
   47    43    51    52   0.28000  1.0 3.0
   47    43    51    53   0.28000  1.0 3.0
   47    43    51    54   0.28000  1.0 3.0
   51    43    47    48   0.28000  1.0 3.0
   51    43    47    49   0.28000  1.0 3.0
   51    43    47    50   0.28000  1.0 3.0
   60    46    58    59   0.30150 -1.0 2.0
   60    46    58    62   0.65300  1.0 1.0
   60    46    58    62  -0.03850 -1.0 2.0
   60    46    58    62   0.33900  1.0 3.0
   60    46    76    68   0.86500  1.0 1.0
   60    46    76    68  -0.17500 -1.0 2.0
   60    46    76    68   0.20800  1.0 3.0
   60    46    76    77   0.23400  1.0 3.0
   60    46    76    39   0.86500  1.0 1.0
   60    46    76    39  -0.17500 -1.0 2.0
   60    46    76    39   0.20800  1.0 3.0
   44    38    41    42   7.00000 -1.0 2.0
   44    38    41    46   7.00000 -1.0 2.0
   45    44    55    56   2.45000 -1.0 2.0
   45    44    55    57   2.45000 -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    44    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   46    62    58    59  10.50000 -1.0 2.0
   63    64    62    58   4.00000 -1.0 2.0
   65    68    63    62   4.00000 -1.0 2.0
   71    72    65    63   4.00000 -1.0 2.0
   78    85    71    65   4.00000 -1.0 2.0
   80    79    78    71   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   85    86    84    82   4.00000 -1.0 2.0
   84    64    85    71   4.00000 -1.0 2.0
   85    66    64    62   4.00000 -1.0 2.0
   38    55    44    45  10.50000 -1.0 2.0
   57    44    55    56   1.00000 -1.0 2.0
END
