* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    152    225     436
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02037    88.83223    42.27204
    3     1 S   H    _H1_     3     1.02128    32.96184   170.59751
    4     1 S   H    _H2_     4     1.02055    91.65895   -66.39259
    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     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08640   109.89279   179.00771
   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   _C19    36     1.80751    98.58598   -78.15609
   34    33 S   HC   _H3_    37     1.08735   109.59348   -59.83271
   35    33 S   HC   _H4_    38     1.08713   109.57467    59.81811
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C13    39     1.53618   109.96478   179.98022
   40    39 S   CT   _C8_    40     1.54714   108.25118    60.32886
   41    40 S   HC   _H26    41     1.09799   109.48916    58.49527
   42    40 S   HC   _H27    42     1.09762   109.90216   -58.80940
   43    39 S   OH   _O20    80     1.43463   107.68867   -54.12565
   44    43 S   HO   _H47    81     0.96704   106.01942    55.83512
   45    40 S   CT   _C7_    43     1.52305   113.40690  -179.50347
   46    45 S   HC   _H24    44     1.09576   109.80044  -172.70521
   47    45 S   HC   _H25    45     1.09513   111.35517    67.89383
   48    45 S   CO4  _C4_    46     1.50810   110.36523   -52.35666
   49    48 S   O    _O17    47     1.23124   121.20725  -131.98142
   50    48 S   CT   _C9_    48     1.52081   116.17135    51.97266
   51    50 S   HC   _H28    49     1.09602   108.02776    69.09345
   52    39 S   CT   _C11    50     1.56784   114.23447  -175.85206
   53    50 S   OS   _O21    75     1.41931   108.46765  -174.16773
   54    52 S   C3T  _C12    51     1.51904   112.56571    60.83378
   55    52 S   OH   _O19    73     1.43626   108.85085   -58.66532
   56    55 S   HO   _H46    74     0.96558   105.95048   -60.12229
   57    53 S   CT   _C17    76     1.42162   111.59110   -80.01557
   58    57 S   HC   _H39    77     1.09333   109.50964  -180.00000
   59    57 S   HC   _H40    78     1.09245   109.52393    59.22419
   60    57 S   HC   _H41    79     1.09265   108.95860   -60.39213
   61    54 S   C3T  _C10    52     1.50190   121.77063   -99.29922
   62    61 S   HC   _H29    53     1.08002   120.08603     5.63694
   63    54 S   CT   _C16    69     1.48322   114.61664    59.63400
   64    63 S   HC   _H36    70     1.10423   111.98686    20.67552
   65    63 S   HC   _H37    71     1.10462   111.97996   -99.28802
   66    63 S   HC   _H38    72     1.10463   111.96008   140.70757
   67    54 S   O3T  _O18    54     1.43329   114.36390  -166.00034
   68    61 S   CT   _C18    55     1.48140   121.30585   158.83222
   69    68 S   HC   _H42    56     1.09941   109.84903    30.64181
   70    68 S   HC   _H43    57     1.10340   109.31481   144.83949
   71    68 S   CM   _C5_    58     1.51044   114.90470   -94.89802
   72    71 S   HC   _H23    59     1.08886   114.14568   -25.61041
   73    71 S   CM   _C6_    60     1.34668   127.64571   155.10155
   74    73 S   CT   _C14    61     1.50286   124.95310  -180.00000
   75    74 S   HC   _H30    62     1.09502   110.06974    90.04487
   76    74 S   HC   _H31    63     1.09578   110.08611  -150.65987
   77    74 S   HC   _H32    64     1.09233   113.45449   -31.09897
   78    73 S   CT   _C15    65     1.50519   120.54368     0.66588
   79    78 S   HC   _H33    66     1.09505   112.38751    89.97229
   80    78 S   HC   _H34    67     1.09487   110.31549  -149.87783
   81    78 S   HC   _H35    68     1.09461   110.18822   -29.98744
  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   7   5   4   3
  13   5   4   2   1   1  19  13   7   6   6   1   8   4   3   8
   4  13   5  13   6  13   4   1   3   2   1   1  12   6   5   3
   2   1   4   7   4   3  10   3   8   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    52    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    50    52    54    55    43    44  
   35    39    40    52    43  
   39    40    52    43  
   37    38  
   38  
    0  
   40    41    42    45    46    47    48    50    51    52    54    61    67    63    55    56    53    43    44  
   41    42    45    46    47    48    49    50    52    54    55    43    44  
   42    45    46    47    48    52    43  
   45    46    47    48    52    43  
   44    45    50    52    54    55  
   52  
   46    47    48    49    50    51    52    53  
   47    48    49    50  
   48    49    50  
   49    50    51    52    54    55    53    57  
   50    51    52    53  
   51    52    54    61    67    63    55    56    53    57    58    59    60  
   52    54    55    53    57  
   54    61    62    67    68    63    64    65    66    55    56    53    57  
   57    58    59    60    54    55  
   61    62    67    68    69    70    71    63    64    65    66    55    56  
   56    61    63    67  
    0  
   58    59    60  
   59    60  
   60  
    0  
   62    67    68    69    70    71    72    73    63    64    65    66  
   67    68    69    70    71    63  
   64    65    66    67    68  
   65    66    67  
   66    67  
   67  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.120000   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    52   268.000  1.529
   39    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   317.000  1.522
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    53   320.000  1.410
   52    54   275.000  1.510
   52    55   320.000  1.410
   54    61   260.000  1.509
   54    67   335.000  1.432
   54    63   275.000  1.510
   61    62   340.000  1.088
   61    67   335.000  1.432
   61    68   275.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   55    56   553.000  0.945
   53    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    52    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    45    58.35000  112.70000
   39    52    50    58.35000  112.70000
   39    52    54    70.00000  112.37300
   39    52    55    50.00000  109.50000
   39    43    44    55.00000  108.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    63.00000  111.10000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    80.00000  120.40000
   45    48    50    70.00000  116.00000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    35.00000  109.50000
   48    50    52    63.00000  111.10000
   48    50    53    90.00000  108.74100
   50    48    49    80.00000  120.40000
   50    52    54    70.00000  112.37300
   50    52    55    50.00000  109.50000
   50    53    57    60.00000  109.50000
   52    39    40    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    54    61    60.00000  120.94000
   52    54    67    80.00000  116.47100
   52    54    63    58.35000  112.70000
   52    55    56    55.00000  108.50000
   54    61    62    37.50000  117.20000
   54    61    67    15.00000   60.43100
   54    61    68    60.00000  120.94000
   54    67    61    15.00000   59.14900
   54    63    64    45.00000  109.38400
   54    63    65    45.00000  109.38400
   54    63    66    45.00000  109.38400
   61    68    69    45.00000  109.38400
   61    68    70    45.00000  109.38400
   61    68    71    70.00000  112.02700
   67    54    61    15.00000   60.43100
   67    61    62    50.00000  114.27700
   68    61    62    40.00000  115.04500
   68    61    67    80.00000  116.47100
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   63    54    61    60.00000  120.94000
   63    54    67    80.00000  116.47100
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   55    52    54    50.00000  109.50000
   53    50    51    35.00000  109.50000
   53    50    52    50.00000  109.50000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    39    40    50.00000  109.50000
   43    39    52    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    52   0.44750  1.0 1.0
   29    33    39    52  -0.17800 -1.0 2.0
   29    33    39    52   0.20200  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    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    45   0.56750  1.0 1.0
   33    39    40    45  -0.07550 -1.0 2.0
   33    39    40    45   0.20000  1.0 3.0
   33    39    52    50   0.56750  1.0 1.0
   33    39    52    50  -0.07550 -1.0 2.0
   33    39    52    50   0.20000  1.0 3.0
   33    39    52    54   0.47050  1.0 1.0
   33    39    52    54   0.03900 -1.0 2.0
   33    39    52    54   0.20100  1.0 3.0
   33    39    52    55   0.86500  1.0 1.0
   33    39    52    55  -0.17500 -1.0 2.0
   33    39    52    55   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    52   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    52   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    40    45    46   0.15000  1.0 3.0
   39    40    45    47   0.15000  1.0 3.0
   39    40    45    48  -0.95700  1.0 1.0
   39    40    45    48  -0.18200 -1.0 2.0
   39    40    45    48   0.29450  1.0 3.0
   39    52    54    61   0.07850  1.0 1.0
   39    52    54    61  -0.03950 -1.0 2.0
   39    52    54    61   0.67350  1.0 3.0
   39    52    54    67   0.02550  1.0 1.0
   39    52    54    67  -0.02600 -1.0 2.0
   39    52    54    67   1.20400  1.0 3.0
   39    52    54    63   0.56750  1.0 1.0
   39    52    54    63  -0.07550 -1.0 2.0
   39    52    54    63   0.20000  1.0 3.0
   39    52    55    56  -0.11600  1.0 1.0
   39    52    55    56  -0.09450 -1.0 2.0
   39    52    55    56   0.21250  1.0 3.0
   40    39    52    50   0.56750  1.0 1.0
   40    39    52    50  -0.07550 -1.0 2.0
   40    39    52    50   0.20000  1.0 3.0
   40    39    52    54   0.47050  1.0 1.0
   40    39    52    54   0.03900 -1.0 2.0
   40    39    52    54   0.20100  1.0 3.0
   40    39    52    55   0.86500  1.0 1.0
   40    39    52    55  -0.17500 -1.0 2.0
   40    39    52    55   0.20800  1.0 3.0
   40    39    43    44  -0.11600  1.0 1.0
   40    39    43    44  -0.09450 -1.0 2.0
   40    39    43    44   0.21250  1.0 3.0
   40    45    48    49   0.30150 -1.0 2.0
   40    45   -48    50   0.60050  1.0 1.0
   40    45   -48    50   0.05600 -1.0 2.0
   40    45   -48    50   0.26150  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48  -0.11250  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48  -0.11250  1.0 3.0
   45    48    50    51   0.00000  1.0 1.0
   45    48    50    52   0.60050  1.0 1.0
   45    48    50    52   0.05600 -1.0 2.0
   45    48    50    52   0.26150  1.0 3.0
   45    48    50    53   0.55300  1.0 1.0
   45    48    50    53   1.25850 -1.0 2.0
   45    48    50    53  -0.23600  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50   -52    39  -0.95700  1.0 1.0
   48    50   -52    39  -0.18200 -1.0 2.0
   48    50   -52    39   0.29450  1.0 3.0
   48    50    52    54  -0.95700  1.0 1.0
   48    50    52    54  -0.18200 -1.0 2.0
   48    50    52    54   0.29450  1.0 3.0
   48    50    52    55  -0.09450  1.0 1.0
   48    50    52    55  -1.12950 -1.0 2.0
   48    50    52    55   0.54000  1.0 3.0
   48    50    53    57  -1.11000  1.0 1.0
   48    50    53    57   0.50250 -1.0 2.0
   48    50    53    57   0.47450  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.30150 -1.0 2.0
   49    48    50    53   0.30150 -1.0 2.0
   50    52    54    61   0.07850  1.0 1.0
   50    52    54    61  -0.03950 -1.0 2.0
   50    52    54    61   0.67350  1.0 3.0
   50    52    54    67   0.02550  1.0 1.0
   50    52    54    67  -0.02600 -1.0 2.0
   50    52    54    67   1.20400  1.0 3.0
   50    52    54    63   0.56750  1.0 1.0
   50    52    54    63  -0.07550 -1.0 2.0
   50    52    54    63   0.20000  1.0 3.0
   50    52    55    56  -0.11600  1.0 1.0
   50    52    55    56  -0.09450 -1.0 2.0
   50    52    55    56   0.21250  1.0 3.0
   50    53    57    58   0.37050  1.0 3.0
   50    53    57    59   0.37050  1.0 3.0
   50    53    57    60   0.37050  1.0 3.0
   51    50    52    39   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.23400  1.0 3.0
   51    50    53    57   0.37050  1.0 3.0
   52    39    40    41   0.15000  1.0 3.0
   52    39    40    42   0.15000  1.0 3.0
   52    39   -40    45   0.56750  1.0 1.0
   52    39   -40    45  -0.07550 -1.0 2.0
   52    39   -40    45   0.20000  1.0 3.0
   52    39    43    44  -0.11600  1.0 1.0
   52    39    43    44  -0.09450 -1.0 2.0
   52    39    43    44   0.21250  1.0 3.0
   52    50    53    57   0.06250  1.0 1.0
   52    50    53    57  -0.01100 -1.0 2.0
   52    50    53    57   0.28050  1.0 3.0
   52    54    61    62   0.15000  1.0 3.0
   52    54   -61    67   0.02550  1.0 1.0
   52    54   -61    67  -0.02600 -1.0 2.0
   52    54   -61    67   1.20400  1.0 3.0
   52    54    61    68   0.56750  1.0 1.0
   52    54    61    68  -0.07550 -1.0 2.0
   52    54    61    68   0.20000  1.0 3.0
   52    54   -67    61   0.06250  1.0 1.0
   52    54   -67    61  -0.01100 -1.0 2.0
   52    54   -67    61   0.28050  1.0 3.0
   52    54    63    64   0.15000  1.0 3.0
   52    54    63    65   0.15000  1.0 3.0
   52    54    63    66   0.15000  1.0 3.0
   54    52    55    56  -0.11600  1.0 1.0
   54    52    55    56  -0.09450 -1.0 2.0
   54    52    55    56   0.21250  1.0 3.0
   54    61    68    69   0.15000  1.0 3.0
   54    61    68    70   0.15000  1.0 3.0
   54    61    68    71   0.34400  1.0 1.0
   54    61    68    71   0.09450 -1.0 2.0
   54    61    68    71   0.11100  1.0 3.0
   61    54    63    64   0.15000  1.0 3.0
   61    54    63    65   0.15000  1.0 3.0
   61    54    63    66   0.15000  1.0 3.0
   61    68    71    72   0.00000  1.0 1.0
   61    68    71    73   0.09850  1.0 1.0
   61    68    71    73   0.15250 -1.0 2.0
   61    68    71    73  -0.50650  1.0 3.0
   62    61   -67    54   0.36800  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   67    54   -61    62   0.23400  1.0 3.0
   67    54   -61    68   0.02550  1.0 1.0
   67    54   -61    68  -0.02600 -1.0 2.0
   67    54   -61    68   1.20400  1.0 3.0
   67    54    63    64   0.23400  1.0 3.0
   67    54    63    65   0.23400  1.0 3.0
   67    54    63    66   0.23400  1.0 3.0
   67    61    68    69   0.23400  1.0 3.0
   67    61    68    70   0.23400  1.0 3.0
   67    61    68    71   0.61850  1.0 1.0
   67    61    68    71  -0.22750 -1.0 2.0
   67    61    68    71   0.15300  1.0 3.0
   68    61   -67    54   0.06250  1.0 1.0
   68    61   -67    54  -0.01100 -1.0 2.0
   68    61   -67    54   0.28050  1.0 3.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   63    54    61    62   0.15000  1.0 3.0
   63    54   -61    67   0.02550  1.0 1.0
   63    54   -61    67  -0.02600 -1.0 2.0
   63    54   -61    67   1.20400  1.0 3.0
   63    54    61    68   0.56750  1.0 1.0
   63    54    61    68  -0.07550 -1.0 2.0
   63    54    61    68   0.20000  1.0 3.0
   63    54   -67    61   0.06250  1.0 1.0
   63    54   -67    61  -0.01100 -1.0 2.0
   63    54   -67    61   0.28050  1.0 3.0
   55    52    54    61   0.86500  1.0 1.0
   55    52    54    61  -0.17500 -1.0 2.0
   55    52    54    61   0.20800  1.0 3.0
   55    52    54    67   3.69350  1.0 1.0
   55    52    54    67  -1.82950 -1.0 2.0
   55    52    54    63   0.86500  1.0 1.0
   55    52    54    63  -0.17500 -1.0 2.0
   55    52    54    63   0.20800  1.0 3.0
   53    50    52    39   0.62750  1.0 1.0
   53    50    52    39  -0.30950 -1.0 2.0
   53    50    52    39   0.27300  1.0 3.0
   53    50    52    54  -0.26800  1.0 1.0
   53    50    52    54   0.69150 -1.0 2.0
   53    50    52    54  -0.48750  1.0 3.0
   53    50    52    55   3.69350  1.0 1.0
   53    50    52    55  -1.82950 -1.0 2.0
   43    39    40    41   0.23400  1.0 3.0
   43    39    40    42   0.23400  1.0 3.0
   43    39    40    45   0.86500  1.0 1.0
   43    39    40    45  -0.17500 -1.0 2.0
   43    39    40    45   0.20800  1.0 3.0
   43    39    52    50   0.86500  1.0 1.0
   43    39    52    50  -0.17500 -1.0 2.0
   43    39    52    50   0.20800  1.0 3.0
   43    39    52    54   0.86500  1.0 1.0
   43    39    52    54  -0.17500 -1.0 2.0
   43    39    52    54   0.20800  1.0 3.0
   43    39    52    55   3.75450  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
   45    50    48    49  10.50000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
