* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    168    266     495
    1     0 S   NP   _N1_     1    29.19293    98.06809   -26.73436
    2     1 S   H    _HN1     2     1.02770   123.24283   -70.25783
    3     1 S   H    _H1_     3     1.02955    48.60724    15.43369
    4     1 S   H    _H2_     4     1.02846    58.45820  -161.84463
    5     1 S   CT   _CA1     5     1.50107   124.21242   103.32970
    6     5 S   HC   _HA1     6     1.09573   105.23551   124.42328
    7     5 S   CO3  _C1_     7     1.53796   112.31165     4.17922
    8     7 S   O2Z  _O11     8     1.26365   114.97827   -45.02281
    9     7 S   O2Z  _O12     9     1.26227   114.92911   134.13966
   10     5 S   CT   _CB1    10     1.53125   107.48070  -117.61840
   11    10 S   HC   HB11    11     1.09827   109.42551   -50.33453
   12    10 S   HC   HB12    12     1.09815   110.42544    66.26397
   13    10 S   CT   _CG1    13     1.53020   112.57606  -171.36815
   14    13 S   HC   HG11    14     1.09594   110.51201   -63.37702
   15    13 S   HC   HG12    15     1.09656   109.88948    55.79744
   16    13 S   C    _CD1    16     1.51827   112.36775   176.26409
   17    16 S   O    _OE1    17     1.22776   123.30749     1.11100
   18    16 S   N    _N2_    18     1.38612   111.67569  -179.08422
   19    18 S   H    _HN2    19     1.01586   118.97610     4.90209
   20    18 S   CT1  _CA2    20     1.45810   122.96492   178.15369
   21    20 S   HC   _HA2    21     1.09524   108.74231    23.26794
   22    20 S   C    _C2_    22     1.52935   106.78083   -93.81169
   23    22 S   O    _O2_    23     1.23020   122.76693   -27.01828
   24    20 S   CT   _CB2    32     1.53104   112.52909   145.73436
   25    24 S   HC   HB21    33     1.09583   110.50020    58.10224
   26    24 S   HC   HB22    34     1.09429   109.59496   176.97204
   27    22 S   N    _N3_    24     1.38622   113.05533   155.32313
   28    27 S   H    _HN3    25     1.01615   120.38398    -1.01336
   29    24 S   S    _SG2    35     1.82737   111.17946   -62.33950
   30    27 S   CT   _CA3    26     1.45436   121.66784   179.41785
   31    30 S   HC   HA31    27     1.09591   108.09699   -56.51231
   32    30 S   HC   HA32    28     1.09595   107.59835    59.22894
   33    29 S   CT   _C26    36     1.83448   100.02784  -169.81648
   34    33 S   F    F1__    37     1.36639   107.51004  -134.71062
   35    33 S   F    F2__    38     1.36474   109.64132   -21.55005
   36    30 S   CO3  _C3_    29     1.52591   113.38244  -177.83635
   37    36 S   O2Z  _O31    30     1.26330   115.18061    61.69671
   38    36 S   O2Z  _O32    31     1.26332   115.12408  -118.37072
   39    33 S   CA   _C22    39     1.51012   110.44469   102.76844
   40    39 S   CA   _C23    40     1.39961   120.71739    94.52412
   41    40 S   HA   _H27    41     1.08762   120.41166     0.90135
   42    40 S   CA   _C24    42     1.39632   120.58372  -179.95577
   43    42 S   HA   _H28    43     1.08773   118.78553  -178.25370
   44    42 S   CA   _C25    44     1.39951   120.40233     1.30356
   45    44 S   CA   _C20    45     1.40560   119.71149     1.59176
   46    44 S   S    _S1_    59     1.79245   118.58250  -177.66494
   47    39 S   CA   _C21    46     1.40182   120.49934   -84.25975
   48    47 S   HA   _H26    47     1.08824   119.07417    -2.64257
   49    45 S   CM   _C10    48     1.48527   119.05175   178.74259
   50    49 S   CA   _C8_    49     1.48929   119.37884    39.31121
   51    49 S   CM   _C11    60     1.35331   122.21681  -132.62716
   52    51 S   HC   _H7_    61     1.09027   118.44385   178.29716
   53    50 S   CA   _C9_    50     1.40381   122.24883   140.21954
   54    53 S   HA   _H6_    51     1.08753   120.89985    -0.19383
   55    51 S   CT   _C12    62     1.51163   128.35694     1.46059
   56    55 S   HC   _H8_    63     1.09245   110.69127    19.12513
   57    55 S   HC   _H9_    64     1.09568   108.35985   -99.04569
   58    53 S   CA   _C4_    52     1.39558   120.51264  -179.74821
   59    58 S   HA   _H3_    53     1.08640   119.91168  -179.75853
   60    55 S   CT   _C13    65     1.53866   111.26628   140.57161
   61    60 S   HC   _H10    66     1.09868   107.15603    57.48810
   62    60 S   HC   _H11    67     1.09830   110.51304   -58.15870
   63    58 S   CA   _C5_    54     1.39239   120.11112     0.38308
   64    63 S   HA   _H4_    55     1.08636   119.98724  -179.92087
   65    60 S   NT   _N4_    68     1.47518   112.74523   177.20432
   66    63 S   CA   _C6_    56     1.39468   120.05890     0.49416
   67    66 S   HA   _H5_    57     1.08757   118.84437   179.44574
   68    65 S   CT   _C14    69     1.47321   109.84916  -162.83694
   69    68 S   HC   _H12    70     1.09655   109.79261    58.25090
   70    68 S   HC   _H13    71     1.09835   110.62367   -59.75324
   71    50 S   CA   _C7_    58     1.40982   118.59716   -37.94545
   72    68 S   CT   _C15    72     1.52665   111.77791   177.69862
   73    72 S   HC   _H14    73     1.09497   110.33404   176.01936
   74    72 S   HC   _H15    74     1.09544   112.27483   -61.38321
   75    72 S   NP   _N5_    75     1.51298   109.50338    57.97536
   76    75 S   H    _H16    76     1.03021   107.36529    60.86056
   77    75 S   CT   _C16    77     1.50979   110.11370   -56.47891
   78    77 S   HC   _H17    78     1.09436   107.27949   -65.48137
   79    77 S   HC   _H18    79     1.09302   108.09332   176.26315
   80    75 S   CT   _C18    83     1.51744   111.28913   177.02027
   81    80 S   HC   _H21    84     1.09550   106.42373   -42.82212
   82    80 S   HC   _H22    85     1.09468   108.14744    74.92509
   83    65 S   CT   _C17    80     1.47099   112.12778    74.63756
   84    83 S   HC   _H19    81     1.09809   110.73413    58.19195
   85    83 S   HC   _H20    82     1.09475   110.43833   -60.35788
   86    80 S   CT   _C19    86     1.52212   110.68687  -161.55729
   87    86 S   HC   _H23    87     1.09474   109.64349   176.79533
   88    86 S   HC   _H24    88     1.09325   112.30922   -62.92426
   89    86 S   OH   _O33    89     1.42216   109.38683    58.20657
   90    89 S   HO   _H25    90     0.97306   107.10473   177.40724
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   7   3   9  10   8   4   1
  12  11  10   4   7   4   8   5   4   6   3  11   4   3   4   3
  13   2   1  12   6   5   1  12   5   4  14   8   9   5   4   8
   5   4   2   1   1   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    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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49  
   41    42    43    44    45    47    48    46  
   42    43    44    47  
   43    44    45    47    49    71    46  
   44    45    46  
   45    47    48    49    50    66    71    46    51  
   47    48    49    50    53    71    46    51    52    55  
   47    49    50    53    63    66    67    71  
   48    49    50    51  
   49  
   50    53    54    58    66    71    51    52    55    56    57    60  
   53    54    58    59    63    66    67    71    51    52    55  
   52    55    56    57    60    61    62    65    53    71  
   55    56    57    60  
   54    58    59    63    64    66    71  
   58    59    63    71  
   56    57    60    61    62    65    68    83  
   57    60    61    62    65  
   60    61    62    65  
   59    63    64    66    67    71  
   63    64    66  
   61    62    65    68    69    70    72    77    83    84    85  
   62    65    68    83  
   65    68    83  
   64    66    67    71  
   66    67    71  
   68    69    70    72    73    74    75    77    78    79    83    84    85  
   67    71  
   71  
   69    70    72    73    74    75    76    77    83    84    85    80  
   70    72    73    74    75    83  
   72    73    74    75    83  
    0  
   73    74    75    76    77    78    79    83    80    81    82    86  
   74    75    76    77    80  
   75    76    77    80  
   76    77    78    79    83    84    85    80    81    82    86    87    88    89  
   77    78    79    83    80    81    82    86  
   78    79    83    84    85    80    81    82    86  
   79    83    84    85    80  
   83    84    85    80  
   81    82    86    87    88    89    90    83  
   82    86    87    88    89  
   86    87    88    89  
   84    85  
   85  
    0  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.6000   0.3550  -0.305000   2.0300   1.8000   0.025682759  -1.666211680
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   76   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   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    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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    46   250.000  1.760
   45    47   469.000  1.400
   45    49   320.000  1.460
   47    48   367.000  1.080
   49    50   320.000  1.460
   49    51   549.000  1.340
   50    53   469.000  1.400
   50    71   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    46   250.000  1.760
   51    52   340.000  1.080
   51    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   382.000  1.448
   65    68   382.000  1.448
   65    83   382.000  1.448
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   367.000  1.471
   75    76   434.000  1.010
   75    77   367.000  1.471
   75    80   367.000  1.471
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   320.000  1.410
   89    90   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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    45    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    46    85.00000  119.40000
   44    42    43    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    45    49    60.00000  120.93500
   44    46    71    90.00000  100.00000
   45    47    48    35.00000  120.00000
   45    49    50    60.00000  122.92000
   45    49    51    60.00000  123.20500
   47    39    40    63.00000  120.00000
   49    45    47    60.00000  120.93500
   49    50    53    60.00000  120.93500
   49    50    71    60.00000  120.93500
   49    51    52    35.00000  120.00000
   49    51    55    70.00000  124.00000
   50    53    54    35.00000  120.00000
   50    53    58    63.00000  120.00000
   50    71    66    63.00000  120.00000
   50    71    46    85.00000  119.40000
   53    58    59    35.00000  120.00000
   53    58    63    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    66    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    71    63.00000  120.00000
   66    63    64    35.00000  120.00000
   66    71    46    85.00000  119.40000
   71    50    53    63.00000  120.00000
   71    66    67    35.00000  120.00000
   46    44    45    85.00000  119.40000
   51    49    50    60.00000  123.20500
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    60    70.00000  112.02700
   55    51    52    35.00000  117.00000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    65    56.20000  109.47000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    68    51.80000  107.20000
   60    65    83    51.80000  107.20000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    72    56.20000  109.47000
   65    83    77    56.20000  109.47000
   65    83    84    35.00000  109.50000
   65    83    85    35.00000  109.50000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    80.00000  111.20000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    75    76    35.00000  109.50000
   72    75    77    75.00000  113.01200
   72    75    80    75.00000  113.01200
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    83    80.00000  111.20000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    86    80.00000  111.20000
   77    75    76    35.00000  109.50000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   79    77    78    33.00000  107.80000
   83    65    68    51.80000  107.20000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   85    83    84    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    75.00000  113.01200
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    50.00000  109.50000
   82    80    81    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    37.50000  110.70000
   86    89    90    55.00000  108.50000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    45   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    45   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    46    71   0.25000 -1.0 2.0
   42    44    46    71   0.25000 -1.0 4.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    45   -47    39   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    49    50  -0.01750  1.0 1.0
   44    45    49    50  -0.32000 -1.0 2.0
   44    45    49    50   0.00600  1.0 3.0
   44    45    49    51   0.15800  1.0 1.0
   44    45    49    51   1.85350 -1.0 2.0
   44    45    49    51  -0.48700  1.0 3.0
   45    44    46    71   0.25000 -1.0 2.0
   45    44    46    71   0.25000 -1.0 4.0
   45    49    50    53  -0.01750  1.0 1.0
   45    49    50    53  -0.32000 -1.0 2.0
   45    49    50    53   0.00600  1.0 3.0
   45    49   -50    71  -0.01750  1.0 1.0
   45    49   -50    71  -0.32000 -1.0 2.0
   45    49   -50    71   0.00600  1.0 3.0
   45    49    51    52   7.00000 -1.0 2.0
   45    49    51    55   7.00000 -1.0 2.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    45    49    50  -0.01750  1.0 1.0
   47    45    49    50  -0.32000 -1.0 2.0
   47    45    49    50   0.00600  1.0 3.0
   47    45    49    51   0.15800  1.0 1.0
   47    45    49    51   1.85350 -1.0 2.0
   47    45    49    51  -0.48700  1.0 3.0
   49    45    47    39   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    50    53    54   3.62500 -1.0 2.0
   49    50    53    58   3.62500 -1.0 2.0
   49    50    71    66   3.62500 -1.0 2.0
   49    50    71    46   3.62500 -1.0 2.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    57   0.00000  1.0 1.0
   49    51    55    60   0.09850  1.0 1.0
   49    51    55    60   0.15250 -1.0 2.0
   49    51    55    60  -0.50650  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    55   7.00000 -1.0 2.0
   50    53    58    59   3.62500 -1.0 2.0
   50    53    58    63   3.62500 -1.0 2.0
   50    71   -46    44   0.25000 -1.0 2.0
   50    71   -46    44   0.25000 -1.0 4.0
   53    50    71    66   3.62500 -1.0 2.0
   53    50    71    46   3.62500 -1.0 2.0
   53    58    63    64   3.62500 -1.0 2.0
   53    58   -63    66   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    63    66    67   3.62500 -1.0 2.0
   58    63    66    71   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    66   3.62500 -1.0 2.0
   63    66   -71    50   3.62500 -1.0 2.0
   63    66    71    46   3.62500 -1.0 2.0
   64    63    66    67   3.62500 -1.0 2.0
   64    63    66    71   3.62500 -1.0 2.0
   66    71    46    44   0.25000 -1.0 2.0
   66    71    46    44   0.25000 -1.0 4.0
   67    66    71    50   3.62500 -1.0 2.0
   67    66    71    46   3.62500 -1.0 2.0
   71    50    53    54   3.62500 -1.0 2.0
   71    50   -53    58   3.62500 -1.0 2.0
   46    44    45    47   3.62500 -1.0 2.0
   46    44   -45    49   3.62500 -1.0 2.0
   51    49    50    53   0.15800  1.0 1.0
   51    49    50    53   1.85350 -1.0 2.0
   51    49    50    53  -0.48700  1.0 3.0
   51    49    50    71   0.15800  1.0 1.0
   51    49    50    71   1.85350 -1.0 2.0
   51    49    50    71  -0.48700  1.0 3.0
   51    55    60    61   0.15000  1.0 3.0
   51    55    60    62   0.15000  1.0 3.0
   51    55    60    65   0.59950  1.0 1.0
   51    55    60    65  -0.21400 -1.0 2.0
   51    55    60    65   0.56200  1.0 3.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    57   0.33100  1.0 3.0
   52    51    55    60   0.00000  1.0 1.0
   55    60    65    68   0.23450  1.0 1.0
   55    60    65    68   0.02050 -1.0 2.0
   55    60    65    68   0.25250  1.0 3.0
   55    60    65    83   0.23450  1.0 1.0
   55    60    65    83   0.02050 -1.0 2.0
   55    60    65    83   0.25250  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    65   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    65   0.15000  1.0 3.0
   60    65    68    69   0.28000  1.0 3.0
   60    65    68    70   0.28000  1.0 3.0
   60    65    68    72   0.58650  1.0 1.0
   60    65    68    72   0.12600 -1.0 2.0
   60    65    68    72   0.33350  1.0 3.0
   60    65    83    77   0.58650  1.0 1.0
   60    65    83    77   0.12600 -1.0 2.0
   60    65    83    77   0.33350  1.0 3.0
   60    65    83    84   0.28000  1.0 3.0
   60    65    83    85   0.28000  1.0 3.0
   61    60    65    68   0.28000  1.0 3.0
   61    60    65    83   0.28000  1.0 3.0
   62    60    65    68   0.28000  1.0 3.0
   62    60    65    83   0.28000  1.0 3.0
   65    68    72    73   0.15000  1.0 3.0
   65    68    72    74   0.15000  1.0 3.0
   65    68    72    75   0.99100  1.0 1.0
   65    68    72    75  -1.80900 -1.0 2.0
   68    65    83    77   0.23450  1.0 1.0
   68    65    83    77   0.02050 -1.0 2.0
   68    65    83    77   0.25250  1.0 3.0
   68    65    83    84   0.28000  1.0 3.0
   68    65    83    85   0.28000  1.0 3.0
   68    72    75    76   0.17350  1.0 3.0
   68    72   -75    77   0.47100  1.0 1.0
   68    72    75    80   0.47100  1.0 1.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.19200  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    75   0.19200  1.0 3.0
   72    75    77    78   0.15000  1.0 3.0
   72    75    77    79   0.15000  1.0 3.0
   72    75    77    83   0.47100  1.0 1.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    86   0.47100  1.0 1.0
   73    72    75    76   0.13050  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    76   0.13050  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    77   -83    65   0.99100  1.0 1.0
   75    77   -83    65  -1.80900 -1.0 2.0
   75    77    83    84   0.19200  1.0 3.0
   75    77    83    85   0.19200  1.0 3.0
   75    80    86    87   0.19200  1.0 3.0
   75    80    86    88   0.19200  1.0 3.0
   75    80    86    89   1.69300  1.0 1.0
   75    80    86    89  -0.48450 -1.0 2.0
   76    75    77    78   0.13050  1.0 3.0
   76    75    77    79   0.13050  1.0 3.0
   76    75    77    83   0.17350  1.0 3.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    82   0.13050  1.0 3.0
   76    75    80    86   0.17350  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    86   0.47100  1.0 1.0
   78    77    83    65   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   79    77    83    65   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   83    65    68    69   0.28000  1.0 3.0
   83    65    68    70   0.28000  1.0 3.0
   83    65   -68    72   0.23450  1.0 1.0
   83    65   -68    72   0.02050 -1.0 2.0
   83    65   -68    72   0.25250  1.0 3.0
   80    75    77    78   0.15000  1.0 3.0
   80    75    77    79   0.15000  1.0 3.0
   80    75    77    83   0.47100  1.0 1.0
   80    86    89    90  -0.11600  1.0 1.0
   80    86    89    90  -0.09450 -1.0 2.0
   80    86    89    90   0.21250  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.23400  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.23400  1.0 3.0
   87    86    89    90   0.19450  1.0 3.0
   88    86    89    90   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    46    44    42   4.00000 -1.0 2.0
   47    49    45    44   4.00000 -1.0 2.0
   45    48    47    39   1.10000 -1.0 2.0
   45    50    49    51   1.10000 -1.0 2.0
   53    71    50    49   4.00000 -1.0 2.0
   58    54    53    50   1.10000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   66    64    63    58   1.10000 -1.0 2.0
   71    67    66    63   1.10000 -1.0 2.0
   66    46    71    50   4.00000 -1.0 2.0
   55    52    51    49   1.10000 -1.0 2.0
END
