* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    154    249     463
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02063    96.92260   -56.38251
    3     1 S   H    _H1_     3     1.02110    82.54141    51.68360
    4     1 S   H    _H2_     4     1.02038    34.81053  -169.31607
    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     1.08612   109.94660   179.13182
   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   _C18    36     1.83293    97.81431   161.86056
   34    33 S   HC   _H3_    37     1.09775   107.71360   -36.30625
   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   CT   _C6_    38     1.53608   106.74015    79.98840
   39    38 S   HC   _H22    39     1.09753   111.82907    63.65723
   40    38 S   HC   _H23    40     1.09672   110.69774   -57.68844
   41    38 S   CO4  _C4_    41     1.51169   110.59057  -176.44565
   42    41 S   O    _O18    42     1.22965   121.68640   154.22981
   43    41 S   CT   _C5_    43     1.50784   116.67091   -25.58621
   44    43 S   HC   _H20    44     1.09641   107.84553    92.35154
   45    43 S   HC   _H21    45     1.09539   108.79340  -150.10246
   46    43 S   CT   _C16    46     1.52966   109.49898   -29.84789
   47    46 S   HC   _H40    47     1.09829   108.33971   -62.43306
   48    46 S   CT   _C14    48     1.50532   112.95828   175.14934
   49    48 S   HC   _H38    49     1.10540    89.69491   -60.05151
   50    48 S   CT   _C10    50     1.54059   106.78620  -175.74366
   51    50 S   HC   _H30    51     1.09678   114.52366  -142.67395
   52    50 S   HC   _H31    52     1.09630   114.60923   -20.70352
   53    48 S   CT   _C12    74     1.50434   142.81887    27.69010
   54    53 S   HC   _H34    75     1.09724   111.01329   -36.07536
   55    53 S   HC   _H35    76     1.09433   112.27508    85.57890
   56    50 S   CT   _C15    53     1.50421    96.49354    98.13763
   57    56 S   HC   _H39    54     1.09540   110.94133  -179.26832
   58    56 S   CT   _C13    55     1.60864   103.50101   -61.45429
   59    58 S   HC   _H36    56     1.09735   109.35788   129.29197
   60    58 S   HC   _H37    57     1.09612   105.76444  -116.18277
   61    56 S   CT   _C17    59     1.61636   104.26437    60.54038
   62    61 S   HC   _H41    60     1.09980   108.42302  -121.84369
   63    33 S   NT   _N17    58     1.47322   112.38417  -156.86641
   64    61 S   CT   _C9_    61     1.53713   109.47022   121.34272
   65    64 S   HC   _H28    62     1.09658   109.90519    57.32350
   66    64 S   HC   _H29    63     1.09721   110.02892   -60.35621
   67    64 S   CT   _C7_    64     1.52774   111.25272   178.24431
   68    67 S   HC   _H24    65     1.09753   109.46027   -66.70143
   69    67 S   HC   _H25    66     1.09526   109.85106   176.05543
   70    67 S   CT   _C8_    67     1.52467   111.04327    54.27047
   71    70 S   HC   _H26    68     1.09709   109.21489    68.86491
   72    70 S   HC   _H27    69     1.09641   109.62550  -174.34026
   73    70 S   CT   _C11    70     1.52864   111.95617   -52.47423
   74    73 S   HC   _H32    71     1.09640   108.16565   175.21685
   75    73 S   HC   _H33    72     1.09768   110.08110   -67.78147
   76    61 S   NT   _N16    73     1.52641   114.34124    -0.53778
  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
  15   7   2   1   1  10   5   4   8   4  10   5   4  15   6  14
   9  15   6   5  12   4   3  13   8   7   3   2  13   6   1  10
   6   5   9   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    63    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    58    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    56    58    59    60    63  
   38    39    40    41    46    58    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    58    63  
   40    41    42    43    63  
   41    42    43    63  
   42    43    44    45    46    47    48    63  
   43    44    45    46  
   44    45    46    47    48    49    50    58    63    53  
   45    46    47    48    63  
   46    47    48    63  
   47    48    49    50    51    52    56    58    59    60    63    76    53    54    55  
   48    49    50    58    63    53  
   49    50    51    52    56    57    58    63    61    73    76    53    54    55  
   50    51    52    56    63    76    53    54    55  
   51    52    56    57    58    59    60    63    61    62    64    76    53    54    55  
   52    56    57    58    61    53  
   56    57    58    61    53  
   54    55    56    61    62    63    64    70    73    74    75    76  
   55    61    73    76  
   61    73    76  
   57    58    59    60    63    61    62    64    65    66    67    73    76  
   58    59    60    63    61    62    64    76  
   59    60    63    61    62    64    76  
   60    63    61  
   63    61  
   62    64    65    66    67    68    69    70    73    74    75    76    63  
   64    65    66    67    73    76  
    0  
   65    66    67    68    69    70    71    72    73    76  
   66    67    68    69    70    76  
   67    68    69    70    76  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
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   268.000  1.529
   33    63   382.000  1.448
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    63   382.000  1.448
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   382.000  1.448
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    76   382.000  1.448
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   382.000  1.448
   76    53   382.000  1.448
   53    54   340.000  1.090
   53    55   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  111.63000
   29    33    63    85.00000  109.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    63    46    51.80000  107.20000
   33    63    58    51.80000  107.20000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    63    56.20000  109.47000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    63    58    51.80000  107.20000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    56    58.35000  112.70000
   48    53    76    56.20000  109.47000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   50    48    49    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    58.35000  112.70000
   50    56    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    63    56.20000  109.47000
   56    61    62    37.50000  110.70000
   56    61    64    58.35000  112.70000
   56    61    76    56.20000  109.47000
   58    56    57    37.50000  110.70000
   60    58    59    33.00000  107.80000
   63    33    34    35.00000  109.50000
   63    33    38    56.20000  109.47000
   63    46    47    35.00000  109.50000
   63    46    48    56.20000  109.47000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   61    56    57    37.50000  110.70000
   61    56    58    58.35000  112.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   61    76    73    51.80000  107.20000
   61    76    53    51.80000  107.20000
   64    61    62    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    56.20000  109.47000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    53    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    61    62    35.00000  109.50000
   76    61    64    56.20000  109.47000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    53    54    35.00000  109.50000
   76    53    55    35.00000  109.50000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   55    53    54    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    63    46   0.23200  1.0 1.0
   29    33    63    46   0.02100 -1.0 2.0
   29    33    63    46   0.24950  1.0 3.0
   29    33    63    58   0.23200  1.0 1.0
   29    33    63    58   0.02100 -1.0 2.0
   29    33    63    58   0.24950  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    63    46   0.28000  1.0 3.0
   34    33    63    58   0.28000  1.0 3.0
   38    33    63    46   0.23450  1.0 1.0
   38    33    63    46   0.02050 -1.0 2.0
   38    33    63    46   0.25250  1.0 3.0
   38    33    63    58   0.23450  1.0 1.0
   38    33    63    58   0.02050 -1.0 2.0
   38    33    63    58   0.25250  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.95700  1.0 1.0
   41    43    46    48  -0.18200 -1.0 2.0
   41    43    46    48   0.29450  1.0 3.0
   41    43    46    63  -3.56550  1.0 1.0
   41    43    46    63  -0.67500 -1.0 2.0
   41    43    46    63   1.11300  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.56750  1.0 1.0
   43    46    48    50  -0.07550 -1.0 2.0
   43    46    48    50   0.20000  1.0 3.0
   43    46    48    53   0.56750  1.0 1.0
   43    46    48    53  -0.07550 -1.0 2.0
   43    46    48    53   0.20000  1.0 3.0
   43    46   -63    33   0.23450  1.0 1.0
   43    46   -63    33   0.02050 -1.0 2.0
   43    46   -63    33   0.25250  1.0 3.0
   43    46    63    58   0.23450  1.0 1.0
   43    46    63    58   0.02050 -1.0 2.0
   43    46    63    58   0.25250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    63   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    63   0.15000  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52   0.15000  1.0 3.0
   46    48    50    56   0.56750  1.0 1.0
   46    48    50    56  -0.07550 -1.0 2.0
   46    48    50    56   0.20000  1.0 3.0
   46    48    53    76   1.53400  1.0 1.0
   46    48    53    76  -0.09950 -1.0 2.0
   46    48    53    76   0.05700  1.0 3.0
   46    48    53    54   0.15000  1.0 3.0
   46    48    53    55   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    53   0.15000  1.0 3.0
   47    46    63    33   0.28000  1.0 3.0
   47    46    63    58   0.28000  1.0 3.0
   48    46    63    33   0.23450  1.0 1.0
   48    46    63    33   0.02050 -1.0 2.0
   48    46    63    33   0.25250  1.0 3.0
   48    46    63    58   0.23450  1.0 1.0
   48    46    63    58   0.02050 -1.0 2.0
   48    46    63    58   0.25250  1.0 3.0
   48    50    56    57   0.15000  1.0 3.0
   48    50   -56    58   0.56750  1.0 1.0
   48    50   -56    58  -0.07550 -1.0 2.0
   48    50   -56    58   0.20000  1.0 3.0
   48    50    56    61   0.56750  1.0 1.0
   48    50    56    61  -0.07550 -1.0 2.0
   48    50    56    61   0.20000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    56   0.15000  1.0 3.0
   49    48    53    76   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   50    48    53    76   1.53400  1.0 1.0
   50    48    53    76  -0.09950 -1.0 2.0
   50    48    53    76   0.05700  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    56    58    59   0.15000  1.0 3.0
   50    56    58    60   0.15000  1.0 3.0
   50    56    58    63   1.53400  1.0 1.0
   50    56    58    63  -0.09950 -1.0 2.0
   50    56    58    63   0.05700  1.0 3.0
   50    56    61    62   0.15000  1.0 3.0
   50    56    61    64   0.56750  1.0 1.0
   50    56    61    64  -0.07550 -1.0 2.0
   50    56    61    64   0.20000  1.0 3.0
   50    56   -61    76   1.53400  1.0 1.0
   50    56   -61    76  -0.09950 -1.0 2.0
   50    56   -61    76   0.05700  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    61   0.15000  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    61   0.15000  1.0 3.0
   56    58    63    33   0.23450  1.0 1.0
   56    58    63    33   0.02050 -1.0 2.0
   56    58    63    33   0.25250  1.0 3.0
   56    58   -63    46   0.23450  1.0 1.0
   56    58   -63    46   0.02050 -1.0 2.0
   56    58   -63    46   0.25250  1.0 3.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61    64    67   0.56750  1.0 1.0
   56    61    64    67  -0.07550 -1.0 2.0
   56    61    64    67   0.20000  1.0 3.0
   56    61    76    73   0.23450  1.0 1.0
   56    61    76    73   0.02050 -1.0 2.0
   56    61    76    73   0.25250  1.0 3.0
   56    61    76    53   0.23450  1.0 1.0
   56    61    76    53   0.02050 -1.0 2.0
   56    61    76    53   0.25250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   57    56    61    76   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    64   0.56750  1.0 1.0
   58    56    61    64  -0.07550 -1.0 2.0
   58    56    61    64   0.20000  1.0 3.0
   58    56    61    76   1.53400  1.0 1.0
   58    56    61    76  -0.09950 -1.0 2.0
   58    56    61    76   0.05700  1.0 3.0
   59    58    63    33   0.28000  1.0 3.0
   59    58    63    46   0.28000  1.0 3.0
   60    58    63    33   0.28000  1.0 3.0
   60    58    63    46   0.28000  1.0 3.0
   63    33    38    39   0.15000  1.0 3.0
   63    33    38    40   0.15000  1.0 3.0
   63    33   -38    41  -3.56550  1.0 1.0
   63    33   -38    41  -0.67500 -1.0 2.0
   63    33   -38    41   1.11300  1.0 3.0
   63    46    48    49   0.15000  1.0 3.0
   63    46   -48    50   1.53400  1.0 1.0
   63    46   -48    50  -0.09950 -1.0 2.0
   63    46   -48    50   0.05700  1.0 3.0
   63    46    48    53   1.53400  1.0 1.0
   63    46    48    53  -0.09950 -1.0 2.0
   63    46    48    53   0.05700  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    63   1.53400  1.0 1.0
   61    56    58    63  -0.09950 -1.0 2.0
   61    56    58    63   0.05700  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   61    76   -53    48   0.23450  1.0 1.0
   61    76   -53    48   0.02050 -1.0 2.0
   61    76   -53    48   0.25250  1.0 3.0
   61    76    53    54   0.28000  1.0 3.0
   61    76    53    55   0.28000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    76    73   0.28000  1.0 3.0
   62    61    76    53   0.28000  1.0 3.0
   64    61    76    73   0.23450  1.0 1.0
   64    61    76    73   0.02050 -1.0 2.0
   64    61    76    73   0.25250  1.0 3.0
   64    61    76    53   0.23450  1.0 1.0
   64    61    76    53   0.02050 -1.0 2.0
   64    61    76    53   0.25250  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67   -70    73   0.56750  1.0 1.0
   64    67   -70    73  -0.07550 -1.0 2.0
   64    67   -70    73   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   1.53400  1.0 1.0
   67    70    73    76  -0.09950 -1.0 2.0
   67    70    73    76   0.05700  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73   -76    61   0.23450  1.0 1.0
   70    73   -76    61   0.02050 -1.0 2.0
   70    73   -76    61   0.25250  1.0 3.0
   70    73    76    53   0.23450  1.0 1.0
   70    73    76    53   0.02050 -1.0 2.0
   70    73    76    53   0.25250  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    53    48   0.23450  1.0 1.0
   73    76    53    48   0.02050 -1.0 2.0
   73    76    53    48   0.25250  1.0 3.0
   73    76    53    54   0.28000  1.0 3.0
   73    76    53    55   0.28000  1.0 3.0
   74    73    76    61   0.28000  1.0 3.0
   74    73    76    53   0.28000  1.0 3.0
   75    73    76    61   0.28000  1.0 3.0
   75    73    76    53   0.28000  1.0 3.0
   76    61    64    65   0.15000  1.0 3.0
   76    61    64    66   0.15000  1.0 3.0
   76    61   -64    67   1.53400  1.0 1.0
   76    61   -64    67  -0.09950 -1.0 2.0
   76    61   -64    67   0.05700  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48   -50    56   0.56750  1.0 1.0
   53    48   -50    56  -0.07550 -1.0 2.0
   53    48   -50    56   0.20000  1.0 3.0
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
   38    43    41    42  10.50000 -1.0 2.0
END
