* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    165    270     494
    1     0 S   NP   _N1_     1    28.44873    97.74000   -22.72956
    2     1 S   H    _HN1     2     1.02958    64.77473    14.12716
    3     1 S   H    _H1_     3     1.02837    47.05876   165.91722
    4     1 S   H    _H2_     4     1.02777   101.95719   -90.68251
    5     1 S   CT   _CA1     5     1.50134   144.60856   104.24933
    6     5 S   HC   _HA1     6     1.09576   105.20783   102.74403
    7     5 S   CO3  _C1_     7     1.53777   112.32924   -17.42181
    8     7 S   O2Z  _O11     8     1.26364   114.99140   -44.63231
    9     7 S   O2Z  _O12     9     1.26233   114.92633   134.39445
   10     5 S   CT   _CB1    10     1.53095   107.41768  -139.38210
   11    10 S   HC   HB11    11     1.09828   109.30335   -50.64345
   12    10 S   HC   HB12    12     1.09815   110.44630    65.90120
   13    10 S   CT   _CG1    13     1.53027   112.68102  -171.71352
   14    13 S   HC   HG11    14     1.09594   110.49819   -64.80059
   15    13 S   HC   HG12    15     1.09658   109.90803    54.39976
   16    13 S   C    _CD1    16     1.51852   112.29156   174.74215
   17    16 S   O    _OE1    17     1.22762   123.28419     0.96874
   18    16 S   N    _N2_    18     1.38582   111.75677  -179.03978
   19    18 S   H    _HN2    19     1.01569   118.96402     4.45228
   20    18 S   CT1  _CA2    20     1.45645   122.79706   177.41094
   21    20 S   HC   _HA2    21     1.09785   108.80114    22.89811
   22    20 S   C    _C2_    22     1.52956   108.04643   -93.57335
   23    22 S   O    _O2_    23     1.22862   123.38094   -25.22343
   24    20 S   CT   _CB2    32     1.53258   112.20288   146.11980
   25    24 S   HC   HB21    33     1.09544   110.49664    43.27998
   26    24 S   HC   HB22    34     1.09128   109.64767   161.79486
   27    22 S   N    _N3_    24     1.38565   111.85216   157.63801
   28    27 S   H    _HN3    25     1.01599   120.08584    -2.18409
   29    24 S   S    _SG2    35     1.82778   110.45289   -77.14118
   30    27 S   CT   _CA3    26     1.45261   123.25791   177.13024
   31    30 S   HC   HA31    27     1.09544   107.78461   -60.60055
   32    30 S   HC   HA32    28     1.09541   107.81797    55.99390
   33    29 S   CT   _C20    36     1.87705   102.16053  -159.79427
   34    33 S   OM   _O38    37     1.32211   106.59478  -172.06390
   35    30 S   CO3  _C3_    29     1.52984   113.58263   178.17844
   36    35 S   O2Z  _O31    30     1.26441   115.84165    11.41050
   37    35 S   O2Z  _O32    31     1.26386   114.52418  -168.57442
   38    33 S   CT   _C21    38     1.55410   111.17173   -52.29253
   39    38 S   HC   _H5_    39     1.09893   107.96009    62.47992
   40    33 S   CT   _C19    72     1.58831   109.86461    69.68888
   41    40 S   HC   _H4_    73     1.09366   107.09166   -55.20494
   42    38 S   CO4  _C22    40     1.53496   109.15483   175.84866
   43    42 S   O    _O36    41     1.23274   120.88887   120.49939
   44    40 S   NP   _N5_    74     1.55390   109.11696    57.11469
   45    44 S   H    _H17    75     1.03009   102.23457   -15.95959
   46    38 S   C    _C23    84     1.54019   117.53726   -55.33664
   47    46 S   O    _O37    85     1.22704   125.34855   -21.03538
   48    42 S   CT   _C16    42     1.54215   114.77525   -61.24016
   49    48 S   OM   _O39    43     1.32166   108.30765   179.52276
   50    44 S   CT   _C24    76     1.50433   118.31153    96.76292
   51    50 S   HC   _H18    77     1.09008   109.77065    77.55019
   52    50 S   HC   _H19    78     1.09403   107.44996  -163.22422
   53    50 S   HC   _H20    79     1.09052   109.63147   -44.67625
   54    44 S   CT   _C25    80     1.50555   113.99796  -127.81148
   55    54 S   HC   _H21    81     1.08953   109.35135   -70.54802
   56    54 S   HC   _H22    82     1.09271   108.41343    50.65604
   57    54 S   HC   _H23    83     1.09339   107.92160   169.14456
   58    46 S   N    _N4_    86     1.38069   112.59045   159.01066
   59    58 S   H    _H15    87     1.01452   122.48413     2.48798
   60    58 S   H    _H16    88     1.01351   120.24027   179.69099
   61    48 S   CO4  _C15    44     1.53327   110.76457   -65.68166
   62    61 S   O    _O35    45     1.23287   120.70612   -33.23167
   63    61 S   CA   _C7_    46     1.50448   120.06594   146.69969
   64    63 S   CA   _C6_    47     1.39634   119.89590     5.08823
   65    64 S   CA   _C5_    48     1.42596   119.39131   174.95259
   66    64 S   CT   _C18    67     1.51572   120.06674    -3.30263
   67    66 S   HC   _H13    68     1.09787   107.85867    94.92785
   68    66 S   HC   _H14    69     1.08902   109.84515  -150.16614
   69    65 S   CA   _C10    49     1.45028   121.71652    10.87095
   70    65 S   CT   _C4_    63     1.51725   117.35100  -167.21423
   71    70 S   HC   _H6_    64     1.09333   110.77661   -97.52769
   72    70 S   HC   _H7_    65     1.09426   112.47750    23.68554
   73    70 S   HC   _H8_    66     1.09378   110.75308   138.27214
   74    48 S   CT   _C17    70     1.55058   109.72761    58.51639
   75    74 S   HC   _H3_    71     1.10017   108.61216    68.70307
   76    69 S   CA   _C9_    50     1.42871   117.15474   -10.46290
   77    76 S   CA   _C14    51     1.42975   118.65055  -176.01808
   78    63 S   CA   _C8_    60     1.40669   121.03443  -175.46443
   79    77 S   CA   _C13    52     1.39045   123.00927    -1.30701
   80    79 S   HA   _H10    53     1.08581   121.47307  -179.61336
   81    77 S   OH   _O33    58     1.37623   120.49037   178.90389
   82    81 S   HO   _H11    59     0.97163   109.52899   177.46186
   83    78 S   OH   _O34    61     1.37854   119.95480    -0.06256
   84    83 S   HO   _H12    62     0.97206   110.01532    -4.60402
   85    79 S   CA   _C12    54     1.37631   119.04055    -1.69766
   86    85 S   HA   _H9_    55     1.08762   118.78816  -176.79069
   87    69 S   CA   _C11    56     1.44412   126.67010   169.21568
   88    87 S   Cl   Cl1_    57     1.74022   124.26235    -9.42594
  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  10   5   4   3
  18   8   2   1   1  15   7  22   8  12   5  13   9   5   3  11
   6   8   3   2   1   4   2   1   1   2   1   1  10   4  13  15
  15   7   3   2  14   5   2   1   1   1   1  11   9   5   7   4
   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    74    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    66    74    75    40    41    44    45    50    54    46    47    58  
   38    39    42    74    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    49    61    74    40    41    44    46    47    58    59    60  
   42    43    48    40    46    47    58  
   41    44    45    50    51    52    53    54    55    56    57    46    42    48    49    61    64    66    67    68    74    75  
   44    45    50    54    48    66    74    75  
   43    48    49    61    62    63    66    74    75    46    47    58  
   48    49    61    74    46  
   45    50    51    52    53    54    55    56    57    48    66    74    75  
   50    51    52    53    54    55    56    57    74  
   47    58    59    60    48  
   58    59    60  
   49    61    62    63    64    78    66    67    68    74    75  
   61    62    63    66    74    75  
   51    52    53    54    55    56    57    74  
   52    53    54  
   53    54  
   54  
   55    56    57    74  
   56    57  
   57  
    0  
   59    60  
   60  
    0  
   62    63    64    65    76    78    83    66    74    75  
   63    64    78    74  
   64    65    69    76    77    78    83    84    70    66    67    68    74  
   65    69    76    87    78    83    70    71    72    73    66    67    68    74    75  
   69    76    77    85    87    88    78    70    71    72    73    66    67    68    74  
   67    68    74    75    69    70    78  
   68    74    75  
   74    75  
   76    77    79    85    86    87    88    81    78    83    70    71    72    73  
   71    72    73    76    87  
   72    73  
   73  
    0  
   75  
    0  
   77    79    80    85    87    88    81    82    78    83    84  
   79    80    85    86    87    81    82    78    83  
   83    84    79    81    87  
   80    85    86    87    88    81    82  
   85    86    87    81  
   82    85  
    0  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   570.000  1.307
   48    61   317.000  1.522
   48    74   268.000  1.529
   61    62   570.000  1.229
   61    63   310.000  1.470
   63    64   469.000  1.400
   63    78   469.000  1.400
   64    65   469.000  1.400
   64    66   317.000  1.510
   65    69   469.000  1.400
   65    70   317.000  1.510
   69    76   469.000  1.400
   69    87   469.000  1.400
   76    77   469.000  1.400
   76    78   469.000  1.400
   77    79   469.000  1.400
   77    81   450.000  1.364
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   300.000  1.725
   81    82   553.000  0.945
   78    83   450.000  1.364
   83    84   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    50   367.000  1.471
   44    54   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    58   490.000  1.335
   58    59   434.000  1.010
   58    60   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    74    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    58    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    48    49    90.00000  108.74100
   42    48    61    75.00000  107.99600
   42    48    74    63.00000  111.10000
   48    42    43    80.00000  120.40000
   48    61    62    80.00000  120.40000
   48    61    63    65.00000  115.47100
   48    74    66    58.35000  112.70000
   48    74    75    37.50000  110.70000
   48    74    40    58.35000  112.70000
   61    48    49    90.00000  108.74100
   61    63    64    60.00000  119.52600
   61    63    78    60.00000  119.52600
   63    61    62    75.00000  123.78400
   63    64    65    63.00000  120.00000
   63    64    66    70.00000  120.00000
   63    78    76    63.00000  120.00000
   63    78    83    70.00000  120.00000
   64    65    69    63.00000  120.00000
   64    65    70    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    74    70.00000  112.17500
   65    69    76    63.00000  120.00000
   65    69    87    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   69    76    77    63.00000  120.00000
   69    76    78    63.00000  120.00000
   69    87    85    63.00000  120.00000
   69    87    88    75.00000  120.00000
   76    77    79    63.00000  120.00000
   76    77    81    70.00000  120.00000
   76    78    83    70.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    85    63.00000  120.00000
   77    81    82    35.00000  113.00000
   79    85    86    35.00000  120.00000
   79    85    87    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    87    88    75.00000  120.00000
   87    69    76    63.00000  120.00000
   87    85    86    35.00000  120.00000
   81    77    79    70.00000  120.00000
   78    63    64    63.00000  120.00000
   78    76    77    63.00000  120.00000
   78    83    84    35.00000  113.00000
   70    65    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   66    64    65    70.00000  120.00000
   66    74    75    37.50000  110.70000
   66    74    40    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    48    49    50.00000  109.50000
   74    48    61    63.00000  111.10000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    40    41    37.50000  110.70000
   74    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    50    75.00000  113.01200
   40    44    54    75.00000  113.01200
   44    40    41    35.00000  109.50000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   44    54    55    35.00000  109.50000
   44    54    56    35.00000  109.50000
   44    54    57    35.00000  109.50000
   50    44    45    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    50    75.00000  113.01200
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    38    39    35.00000  109.50000
   46    38    42    70.00000  107.85200
   46    58    59    35.00000  119.80000
   46    58    60    35.00000  119.80000
   58    46    47    80.00000  122.90000
   60    58    59    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    58   1.39750  1.0 1.0
   33    38    46    58  -0.07950 -1.0 2.0
   33    38    46    58  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    50   0.47100  1.0 1.0
   33    40    44    54   0.47100  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    74   0.62750  1.0 1.0
   34    33    40    74  -0.30950 -1.0 2.0
   34    33    40    74   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    74   0.56750  1.0 1.0
   38    33    40    74  -0.07550 -1.0 2.0
   38    33    40    74   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    48    49   0.55300  1.0 1.0
   38    42    48    49   1.25850 -1.0 2.0
   38    42    48    49  -0.23600  1.0 3.0
   38    42    48    61   0.65300  1.0 1.0
   38    42    48    61  -0.03850 -1.0 2.0
   38    42    48    61   0.33900  1.0 3.0
   38    42   -48    74   0.60050  1.0 1.0
   38    42   -48    74   0.05600 -1.0 2.0
   38    42   -48    74   0.26150  1.0 3.0
   38    46    58    59   2.45000 -1.0 2.0
   38    46    58    60   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    58   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    58   0.00000  1.0 1.0
   42    48    61    62   0.30150 -1.0 2.0
   42    48    61    63   0.65300  1.0 1.0
   42    48    61    63  -0.03850 -1.0 2.0
   42    48    61    63   0.33900  1.0 3.0
   42    48    74    66  -0.95700  1.0 1.0
   42    48    74    66  -0.18200 -1.0 2.0
   42    48    74    66   0.29450  1.0 3.0
   42    48    74    75  -0.11250  1.0 3.0
   42    48    74    40  -0.95700  1.0 1.0
   42    48    74    40  -0.18200 -1.0 2.0
   42    48    74    40   0.29450  1.0 3.0
   43    42    48    49   0.30150 -1.0 2.0
   43    42    48    61   0.30150 -1.0 2.0
   43    42    48    74   0.30150 -1.0 2.0
   48    61    63    64   2.26350  1.0 1.0
   48    61    63    64   0.76750 -1.0 2.0
   48    61    63    64   0.22500  1.0 3.0
   48    61    63    78   2.26350  1.0 1.0
   48    61    63    78   0.76750 -1.0 2.0
   48    61    63    78   0.22500  1.0 3.0
   48    74   -40    33   0.56750  1.0 1.0
   48    74   -40    33  -0.07550 -1.0 2.0
   48    74   -40    33   0.20000  1.0 3.0
   48    74    40    41   0.15000  1.0 3.0
   48    74    40    44   1.36600  1.0 1.0
   48    74    40    44  -0.11450 -1.0 2.0
   48    74    40    44   0.24250  1.0 3.0
   49    48    61    62   0.30150 -1.0 2.0
   49    48    61    63   0.65300  1.0 1.0
   49    48    61    63  -0.03850 -1.0 2.0
   49    48    61    63   0.33900  1.0 3.0
   49    48    74    66   0.62750  1.0 1.0
   49    48    74    66  -0.30950 -1.0 2.0
   49    48    74    66   0.27300  1.0 3.0
   49    48    74    75   0.23400  1.0 3.0
   49    48    74    40   0.62750  1.0 1.0
   49    48    74    40  -0.30950 -1.0 2.0
   49    48    74    40   0.27300  1.0 3.0
   61    48    74    66  -0.95700  1.0 1.0
   61    48    74    66  -0.18200 -1.0 2.0
   61    48    74    66   0.29450  1.0 3.0
   61    48    74    75  -0.11250  1.0 3.0
   61    48    74    40  -0.95700  1.0 1.0
   61    48    74    40  -0.18200 -1.0 2.0
   61    48    74    40   0.29450  1.0 3.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63   -64    66   3.62500 -1.0 2.0
   61    63    78    76   3.62500 -1.0 2.0
   61    63    78    83   3.62500 -1.0 2.0
   62    61    63    64   1.05000 -1.0 2.0
   62    61    63    78   1.05000 -1.0 2.0
   63    64    65    69   3.62500 -1.0 2.0
   63    64    65    70   3.62500 -1.0 2.0
   63    64    66    67   0.00000  1.0 1.0
   63    64    66    68   0.00000  1.0 1.0
   63    64    66    74   0.04150 -1.0 2.0
   63    78    83    84   0.84100 -1.0 2.0
   64    63    78    76   3.62500 -1.0 2.0
   64    63    78    83   3.62500 -1.0 2.0
   64    65   -69    76   3.62500 -1.0 2.0
   64    65    69    87   3.62500 -1.0 2.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.00000  1.0 1.0
   64    65    70    73   0.00000  1.0 1.0
   64    66   -74    48  -0.03700  1.0 1.0
   64    66   -74    48   0.37200 -1.0 2.0
   64    66   -74    48  -0.47300  1.0 3.0
   64    66    74    75   0.43200  1.0 3.0
   64    66    74    40  -0.03700  1.0 1.0
   64    66    74    40   0.37200 -1.0 2.0
   64    66    74    40  -0.47300  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    74   0.04150 -1.0 2.0
   65    69    76    77   3.62500 -1.0 2.0
   65    69    76    78   3.62500 -1.0 2.0
   65    69    87    85   3.62500 -1.0 2.0
   65    69    87    88   3.62500 -1.0 2.0
   69    65    70    71   0.00000  1.0 1.0
   69    65    70    72   0.00000  1.0 1.0
   69    65    70    73   0.00000  1.0 1.0
   69    76    77    79   3.62500 -1.0 2.0
   69    76    77    81   3.62500 -1.0 2.0
   69    76   -78    63   3.62500 -1.0 2.0
   69    76    78    83   3.62500 -1.0 2.0
   76    69    87    85   3.62500 -1.0 2.0
   76    69    87    88   3.62500 -1.0 2.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77   -79    85   3.62500 -1.0 2.0
   76    77    81    82   0.84100 -1.0 2.0
   76    78    83    84   0.84100 -1.0 2.0
   77    76    78    63   3.62500 -1.0 2.0
   77    76    78    83   3.62500 -1.0 2.0
   77    79    85    86   3.62500 -1.0 2.0
   77    79    85    87   3.62500 -1.0 2.0
   79    77    81    82   0.84100 -1.0 2.0
   79    85   -87    69   3.62500 -1.0 2.0
   79    85    87    88   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   86    85    87    69   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   87    69   -76    77   3.62500 -1.0 2.0
   87    69    76    78   3.62500 -1.0 2.0
   81    77    79    80   3.62500 -1.0 2.0
   81    77    79    85   3.62500 -1.0 2.0
   78    63   -64    65   3.62500 -1.0 2.0
   78    63    64    66   3.62500 -1.0 2.0
   78    76    77    79   3.62500 -1.0 2.0
   78    76    77    81   3.62500 -1.0 2.0
   70    65    69    76   3.62500 -1.0 2.0
   70    65    69    87   3.62500 -1.0 2.0
   66    64    65    69   3.62500 -1.0 2.0
   66    64    65    70   3.62500 -1.0 2.0
   66    74    40    33   0.56750  1.0 1.0
   66    74    40    33  -0.07550 -1.0 2.0
   66    74    40    33   0.20000  1.0 3.0
   66    74    40    41   0.15000  1.0 3.0
   66    74    40    44   1.36600  1.0 1.0
   66    74    40    44  -0.11450 -1.0 2.0
   66    74    40    44   0.24250  1.0 3.0
   67    66    74    48   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    40   0.15000  1.0 3.0
   68    66    74    48   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    40   0.15000  1.0 3.0
   74    48    61    62   0.30150 -1.0 2.0
   74    48   -61    63   0.05850 -1.0 2.0
   74    48   -61    63   0.17250  1.0 3.0
   74    40    44    45   0.17350  1.0 3.0
   74    40    44    50   0.47100  1.0 1.0
   74    40    44    54   0.47100  1.0 1.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    41   0.15000  1.0 3.0
   75    74    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    53   0.15000  1.0 3.0
   40    44    54    55   0.15000  1.0 3.0
   40    44    54    56   0.15000  1.0 3.0
   40    44    54    57   0.15000  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    54   0.15000  1.0 3.0
   45    44    50    51   0.13050  1.0 3.0
   45    44    50    52   0.13050  1.0 3.0
   45    44    50    53   0.13050  1.0 3.0
   45    44    54    55   0.13050  1.0 3.0
   45    44    54    56   0.13050  1.0 3.0
   45    44    54    57   0.13050  1.0 3.0
   50    44    54    55   0.15000  1.0 3.0
   50    44    54    56   0.15000  1.0 3.0
   50    44    54    57   0.15000  1.0 3.0
   54    44    50    51   0.15000  1.0 3.0
   54    44    50    52   0.15000  1.0 3.0
   54    44    50    53   0.15000  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    58    59   2.45000 -1.0 2.0
   47    46    58    60   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    48    42    43  10.50000 -1.0 2.0
   48    63    61    62  10.50000 -1.0 2.0
   64    78    63    61   4.00000 -1.0 2.0
   65    66    64    63   4.00000 -1.0 2.0
   69    70    65    64   4.00000 -1.0 2.0
   76    87    69    65   4.00000 -1.0 2.0
   77    78    76    69   4.00000 -1.0 2.0
   79    81    77    76   4.00000 -1.0 2.0
   85    80    79    77   1.10000 -1.0 2.0
   87    86    85    79   1.10000 -1.0 2.0
   85    88    87    69   4.00000 -1.0 2.0
   76    83    78    63   4.00000 -1.0 2.0
   38    58    46    47  10.50000 -1.0 2.0
   60    46    58    59   1.00000 -1.0 2.0
END
