* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    150    219     434
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02111    55.38630    88.31853
    3     1 S   H    _H1_     3     1.02167    56.74365  -115.02477
    4     1 S   H    _H2_     4     1.02038   106.61312   -13.27309
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C27    36     1.82442    98.07700  -178.14154
   34    33 S   HC   _H3_    37     1.09647   103.37551    43.57939
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C16    38     1.51265   110.53521   159.97039
   39    38 S   HC   _H42    39     1.09094   116.27546    66.81875
   40    33 S   CM   _C20    44     1.52287   111.65036   -72.44332
   41    38 S   CMA  _C21    40     1.35412   126.59776  -112.89610
   42    41 S   OM   _O25    41     1.26437   127.53637   179.96044
   43    40 S   CM   _C15    45     1.35057   128.35744   -36.95329
   44    43 S   HC   _H41    46     1.08981   117.56396     0.66910
   45    40 S   CT   _C26    88     1.51350   113.35121   143.95034
   46    45 S   HC   _H52    89     1.09504   112.76557   -90.79443
   47    45 S   HC   _H53    90     1.09547   110.24412   149.14468
   48    45 S   HC   _H54    91     1.09456   110.17452    29.27310
   49    41 S   OH   _O27    42     1.40939   110.99772     0.17471
   50    49 S   HO   _H56    43     0.97410   105.26956   179.98022
   51    43 S   CM   _C7_    47     1.44795   128.36892  -179.12464
   52    51 S   HC   _H33    48     1.08399   118.17721     0.84047
   53    51 S   CM   _C9_    49     1.34345   122.82465   180.00000
   54    53 S   HC   _H35    50     1.08890   119.84183    -0.95879
   55    53 S   CM   _C18    51     1.46032   124.90203  -179.03450
   56    55 S   CM   _C13    52     1.34864   121.10681   -39.95532
   57    56 S   HC   _H39    53     1.09043   118.36979     0.47929
   58    55 S   CT   _C24    84     1.50644   112.92761   142.06337
   59    58 S   HC   _H46    85     1.09595   110.42734    90.04412
   60    58 S   HC   _H47    86     1.09285   113.72885  -149.54406
   61    58 S   HC   _H48    87     1.09578   110.24651   -29.53154
   62    56 S   CM   _C5_    54     1.44964   127.26437  -179.17956
   63    62 S   HC   _H31    55     1.08492   118.13291    -0.06561
   64    62 S   CM   _C4_    56     1.34302   122.70687   180.00000
   65    64 S   HC   _H30    57     1.08459   119.02310     0.03426
   66    64 S   CM   _C12    58     1.45081   122.65635   179.91844
   67    66 S   HC   _H38    59     1.09075   114.00358    -0.03426
   68    66 S   CM   _C17    60     1.35147   128.50448  -179.96574
   69    68 S   CM   _C8_    61     1.46400   124.11147   179.96574
   70    69 S   HC   _H34    62     1.08701   116.44765    -0.02798
   71    68 S   CT   _C23    80     1.51114   118.39186     0.05935
   72    71 S   HC   _H43    81     1.09627   110.71734   -90.04149
   73    71 S   HC   _H44    82     1.09529   110.79130   148.89610
   74    71 S   HC   _H45    83     1.09610   112.39426    29.37307
   75    69 S   CM   _C6_    63     1.34481   126.33060   179.95577
   76    75 S   HC   _H32    64     1.08333   119.85987     0.06561
   77    75 S   CM   _C14    65     1.45193   122.54796   179.93439
   78    77 S   HC   _H40    66     1.09061   114.04481    -0.05595
   79    77 S   CM   _C19    67     1.35195   128.54469  -179.95577
   80    79 S   CM   _C10    68     1.46517   124.14885   180.00000
   81    80 S   HC   _H36    69     1.08420   116.01448    -0.00000
   82    79 S   CT   _C25    76     1.51107   118.38679     0.00000
   83    82 S   HC   _H49    77     1.09592   112.41394   -90.03591
   84    82 S   HC   _H50    78     1.09600   110.75702    29.42812
   85    82 S   HC   _H51    79     1.09552   110.73753   150.48731
   86    80 S   CM   _C11    70     1.34319   125.87240   180.00000
   87    86 S   HC   _H37    71     1.08496   121.76823    -0.10835
   88    86 S   C    _C22    72     1.47841   123.84886  -180.00000
   89    88 S   O    _O26    73     1.22209   122.74387    -0.01978
   90    88 S   OH   _O28    74     1.35113   113.17033   179.89165
   91    90 S   HO   _H57    75     0.98091   112.11158  -179.89532
  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
  14   6   2   1   1   8   4  10   3   2  10   4   4   2   1   1
   1   1   6   3   9   3   9  10   4   4   2   1   1   6   3   6
   3   9   3   9  10   4   4   2   1   1   6   3   9   3   9  10
   4   4   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    40    43    44    51    45    46    47    48  
   38    39    41    40    43    45  
   36    37  
   37  
    0  
   39    41    42    49    50    40    43    45  
   41    42    49    40  
   43    44    51    52    53    45    46    47    48    41  
   42    49    50  
   49    50  
   44    51    52    53    54    55    45    46    47    48  
   51    52    53    45  
   46    47    48    51  
   47    48  
   48  
    0  
   50  
    0  
   52    53    54    55    56    58  
   53    54    55  
   54    55    56    57    62    58    59    60    61  
   55    56    58  
   56    57    62    63    64    58    59    60    61  
   57    62    63    64    65    66    58    59    60    61  
   62    63    64    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68    69    71  
   66    67    68  
   67    68    69    70    75    71    72    73    74  
   68    69    71  
   69    70    75    76    77    71    72    73    74  
   70    75    76    77    78    79    71    72    73    74  
   75    76    77    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78    79    80    82  
   77    78    79  
   78    79    80    81    86    82    83    84    85  
   79    80    82  
   80    81    86    87    88    82    83    84    85  
   81    86    87    88    89    90    82    83    84    85  
   86    87    88    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89    90    91  
   88    89    90  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   90   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.450000   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    40   317.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    49   510.000  1.338
   49    50   553.000  0.945
   40    43   549.000  1.340
   40    45   317.000  1.510
   43    44   340.000  1.080
   43    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   340.000  1.080
   53    55   380.000  1.444
   55    56   549.000  1.340
   55    58   317.000  1.510
   56    57   340.000  1.080
   56    62   380.000  1.444
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   380.000  1.444
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   380.000  1.444
   68    71   317.000  1.510
   69    70   340.000  1.080
   69    75   549.000  1.340
   75    76   340.000  1.080
   75    77   380.000  1.444
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   380.000  1.444
   79    82   317.000  1.510
   80    81   340.000  1.080
   80    86   549.000  1.340
   86    87   340.000  1.080
   86    88   410.000  1.444
   88    89   570.000  1.229
   88    90   450.000  1.364
   90    91   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  124.00000
   33    40    45    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  121.38400
   41    38    39    40.00000  120.50800
   41    49    50    70.00000  107.45700
   49    41    42   115.00000  116.36000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    35.00000  120.00000
   40    43    51    70.00000  123.01800
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    51    52    35.00000  120.00000
   43    51    53    70.00000  123.01800
   51    43    44    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    55    70.00000  123.01800
   53    51    52    35.00000  120.00000
   53    55    56    70.00000  123.01800
   53    55    58    70.00000  124.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    62    70.00000  123.01800
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    35.00000  120.00000
   56    62    64    70.00000  123.01800
   62    56    57    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  123.01800
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    70.00000  123.01800
   66    64    65    35.00000  120.00000
   66    68    69    70.00000  123.01800
   66    68    71    70.00000  124.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    75    70.00000  123.01800
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    35.00000  120.00000
   69    75    77    70.00000  123.01800
   75    69    70    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    70.00000  123.01800
   77    75    76    35.00000  120.00000
   77    79    80    70.00000  123.01800
   77    79    82    70.00000  124.00000
   79    77    78    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    86    70.00000  123.01800
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    35.00000  120.00000
   80    86    88    70.00000  118.70000
   86    80    81    35.00000  120.00000
   86    88    89    80.00000  125.30000
   86    88    90    90.00000  111.55000
   88    86    87    35.00000  119.70000
   88    90    91    35.00000  113.00000
   90    88    89   100.00000  123.32000
   82    79    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    68    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   45    40    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   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    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   29    33    40    45   0.30250  1.0 1.0
   29    33    40    45  -0.14950 -1.0 2.0
   29    33    40    45   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    51   7.00000 -1.0 2.0
   33    40    45    46   0.34800  1.0 3.0
   33    40    45    47   0.34800  1.0 3.0
   33    40    45    48   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.00000  1.0 1.0
   34    33    40    45   0.34800  1.0 3.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   38    41    49    50  -0.66100  1.0 1.0
   38    41    49    50   1.20850 -1.0 2.0
   38    41    49    50  -0.36000  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   42    41    49    50   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    43    51    52  -0.18600  1.0 3.0
   40    43    51    53   0.28850  1.0 1.0
   40    43    51    53   2.61350 -1.0 2.0
   40    43    51    53   0.78400  1.0 3.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    51    53    54   7.00000 -1.0 2.0
   43    51    53    55   7.00000 -1.0 2.0
   44    43    51    52   0.00000  1.0 1.0
   44    43    51    53  -0.18600  1.0 3.0
   51    53    55    56   0.28850  1.0 1.0
   51    53    55    56   2.61350 -1.0 2.0
   51    53    55    56   0.78400  1.0 3.0
   51    53    55    58  -0.18600  1.0 3.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    55    56    57   7.00000 -1.0 2.0
   53    55    56    62   7.00000 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    61   0.00000  1.0 1.0
   54    53    55    56  -0.18600  1.0 3.0
   54    53    55    58   0.00000  1.0 1.0
   55    56    62    63  -0.18600  1.0 3.0
   55    56    62    64   0.28850  1.0 1.0
   55    56    62    64   2.61350 -1.0 2.0
   55    56    62    64   0.78400  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    61   0.00000  1.0 1.0
   56    62    64    65   7.00000 -1.0 2.0
   56    62    64    66   7.00000 -1.0 2.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64  -0.18600  1.0 3.0
   62    64    66    67  -0.18600  1.0 3.0
   62    64    66    68   0.28850  1.0 1.0
   62    64    66    68   2.61350 -1.0 2.0
   62    64    66    68   0.78400  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   7.00000 -1.0 2.0
   64    66    68    71   7.00000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68  -0.18600  1.0 3.0
   66    68    69    70  -0.18600  1.0 3.0
   66    68    69    75   0.28850  1.0 1.0
   66    68    69    75   2.61350 -1.0 2.0
   66    68    69    75   0.78400  1.0 3.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    73   0.00000  1.0 1.0
   66    68    71    74   0.00000  1.0 1.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    71   7.00000 -1.0 2.0
   68    69    75    76   7.00000 -1.0 2.0
   68    69    75    77   7.00000 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    77    78  -0.18600  1.0 3.0
   69    75    77    79   0.28850  1.0 1.0
   69    75    77    79   2.61350 -1.0 2.0
   69    75    77    79   0.78400  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    77   7.00000 -1.0 2.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    82   7.00000 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79  -0.18600  1.0 3.0
   77    79    80    81  -0.18600  1.0 3.0
   77    79    80    86   0.28850  1.0 1.0
   77    79    80    86   2.61350 -1.0 2.0
   77    79    80    86   0.78400  1.0 3.0
   77    79    82    83   0.00000  1.0 1.0
   77    79    82    84   0.00000  1.0 1.0
   77    79    82    85   0.00000  1.0 1.0
   78    77    79    80   7.00000 -1.0 2.0
   78    77    79    82   7.00000 -1.0 2.0
   79    80    86    87   7.00000 -1.0 2.0
   79    80    86    88   7.00000 -1.0 2.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   0.00000  1.0 1.0
   80    86    88    89   1.00000 -1.0 2.0
   80    86    88    90  -0.01000  1.0 1.0
   80    86    88    90   1.29850 -1.0 2.0
   80    86    88    90  -0.09550  1.0 3.0
   81    80    86    87   7.00000 -1.0 2.0
   81    80    86    88   7.00000 -1.0 2.0
   86    88    90    91   1.22000  1.0 1.0
   86    88    90    91   0.17300 -1.0 2.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    90   0.81850 -1.0 2.0
   89    88    90    91   0.92200  1.0 1.0
   89    88    90    91   3.74100 -1.0 2.0
   82    79    80    81   0.00000  1.0 1.0
   82    79    80    86  -0.18600  1.0 3.0
   71    68    69    70   0.00000  1.0 1.0
   71    68    69    75  -0.18600  1.0 3.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    62   7.00000 -1.0 2.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    51   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   33    45    40    43  15.00000 -1.0 2.0
   51    44    43    40  15.00000 -1.0 2.0
   43    52    51    53  15.00000 -1.0 2.0
   55    54    53    51  15.00000 -1.0 2.0
   53    58    55    56  15.00000 -1.0 2.0
   62    57    56    55  15.00000 -1.0 2.0
   56    63    62    64  15.00000 -1.0 2.0
   66    65    64    62  15.00000 -1.0 2.0
   64    67    66    68  15.00000 -1.0 2.0
   69    71    68    66  15.00000 -1.0 2.0
   68    70    69    75  15.00000 -1.0 2.0
   77    76    75    69  15.00000 -1.0 2.0
   75    78    77    79  15.00000 -1.0 2.0
   80    82    79    77  15.00000 -1.0 2.0
   79    81    80    86  15.00000 -1.0 2.0
   88    87    86    80  15.00000 -1.0 2.0
   86    90    88    89  10.50000 -1.0 2.0
END
