* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    154    216     440
    1     0 S   NP   _N1_     1    29.28066    94.91193   -21.05128
    2     1 S   H    _HN1     2     1.02839    31.09800   179.40422
    3     1 S   H    _H1_     3     1.02797    86.00676   -45.23994
    4     1 S   H    _H2_     4     1.02965    94.07365    62.83203
    5     1 S   CT   _CA1     5     1.49999   141.35044  -166.64968
    6     5 S   HC   _HA1     6     1.09569   105.19487    50.99634
    7     5 S   CO3  _C1_     7     1.53872   113.02468   -68.83544
    8     7 S   O2Z  _O11     8     1.26273   115.15121   -37.49754
    9     7 S   O2Z  _O12     9     1.26418   114.90706   142.55623
   10     5 S   CT   _CB1    10     1.53200   107.49905   168.60126
   11    10 S   HC   HB11    11     1.09769   109.18907   -56.44268
   12    10 S   HC   HB12    12     1.09785   110.40110    59.98475
   13    10 S   CT   _CG1    13     1.52734   112.41597  -178.18781
   14    13 S   HC   HG11    14     1.09258   109.53681   -64.37572
   15    13 S   HC   HG12    15     1.09626   110.53760    54.00472
   16    13 S   C    _CD1    16     1.51507   112.64081   173.77392
   17    16 S   O    _OE1    17     1.22748   122.58256   -39.01880
   18    16 S   N    _N2_    18     1.38497   111.96609   143.85834
   19    18 S   H    _HN2    19     1.01554   119.48671    -4.32644
   20    18 S   CT1  _CA2    20     1.46171   123.73332   172.51843
   21    20 S   HC   _HA2    21     1.09669   109.38110    -6.65532
   22    20 S   C    _C2_    22     1.53854   107.89617  -122.56751
   23    22 S   O    _O2_    23     1.23009   122.22673  -158.91259
   24    20 S   CT   _CB2    32     1.53457   111.81467   116.08697
   25    24 S   HC   HB21    33     1.09134   109.20309    63.11088
   26    24 S   HC   HB22    34     1.09540   109.73956  -179.07465
   27    22 S   N    _N3_    24     1.38327   113.64827    26.75998
   28    27 S   H    _HN3    25     1.01556   118.85904     0.49258
   29    24 S   S    _SG2    35     1.83243   111.51973   -59.13303
   30    27 S   CT   _CA3    26     1.45239   124.33787  -178.35254
   31    30 S   HC   HA31    27     1.09494   107.28008   -80.61771
   32    30 S   HC   HA32    28     1.09529   108.63070    36.35540
   33    29 S   CT   _C11    36     1.84879   102.77019   162.69760
   34    33 S   OM   _O34    37     1.31753   111.76658    46.54482
   35    30 S   CO3  _C3_    29     1.53149   113.34516   158.74664
   36    35 S   O2Z  _O31    30     1.26507   116.07685     7.31094
   37    35 S   O2Z  _O32    31     1.26383   114.67243  -172.45070
   38    33 S   CT   _C12    38     1.54854   103.97818   160.33664
   39    38 S   HC   _H8_    39     1.09837   111.04670    63.07332
   40    38 S   HC   _H9_    40     1.09877   113.56270   -59.09962
   41    38 S   HC   _H10    41     1.10001   111.26221   179.76427
   42    33 S   OS   _O33    42     1.46154   117.99260   -86.57928
   43    42 S   CA   _C10    43     1.37126   119.33637    38.71221
   44    43 S   CA   _C5_    44     1.40547   118.66067   -96.83569
   45    44 S   CA   _C6_    45     1.40077   119.01496   179.05830
   46    45 S   HA   _H7_    46     1.08719   118.54961  -179.68910
   47    44 S   CT   _C4_    82     1.50342   122.57775     0.04846
   48    47 S   HC   _H4_    83     1.09570   110.44316  -143.38718
   49    47 S   HC   _H5_    84     1.09404   111.81984   -24.88773
   50    47 S   HC   _H6_    85     1.09332   110.36516    96.69958
   51    45 S   CA   _C7_    47     1.39740   120.91842     1.09504
   52    51 S   CA   _C8_    48     1.40860   120.14890     3.20375
   53    51 S   OS   _O35    58     1.37292   123.01010  -179.84934
   54    43 S   CA   _C9_    49     1.41125   120.41144    90.09229
   55    52 S   CT   _C14    54     1.51009   119.88786   177.25191
   56    55 S   HC   _H14    55     1.09431   109.92029   -95.78778
   57    55 S   HC   _H15    56     1.09463   112.12514    25.06846
   58    55 S   HC   _H16    57     1.09481   111.08293   143.03367
   59    53 S   CT   _C15    59     1.43363   116.20483    31.42299
   60    59 S   HC   _H17    60     1.09513   108.72820   -84.16957
   61    59 S   HC   _H18    61     1.09543   110.01150    37.29860
   62    54 S   CT   _C13    50     1.50769   120.71817     2.37710
   63    62 S   HC   _H11    51     1.09390   110.30261   -97.65679
   64    62 S   HC   _H12    52     1.09419   111.80325    24.28730
   65    62 S   HC   _H13    53     1.09515   110.93658   141.48146
   66    59 S   CT   _C16    62     1.52975   107.71473   156.28956
   67    66 S   HC   _H3_    63     1.09638   109.34990    46.29199
   68    66 S   CT   _C17    64     1.53044   114.10057   168.66916
   69    68 S   HC   _H19    65     1.09489   110.45804   172.47272
   70    68 S   HC   _H20    66     1.09398   110.73278   -65.20241
   71    66 S   OH   _O36    80     1.42883   108.02332   -69.08897
   72    71 S   HO   _H30    81     0.97262   108.41389   178.95920
   73    68 S   NP   _N4_    67     1.50027   111.48548    53.96531
   74    73 S   H    _H21    68     1.03416   109.26661   -71.92732
   75    73 S   H    _H22    69     1.03592   108.35856    43.26813
   76    73 S   CT   _C18    70     1.50580   115.93355   164.47474
   77    76 S   HC   _H23    71     1.09555   106.77758   -59.64056
   78    76 S   CT   _C19    72     1.52485   108.08305  -177.76963
   79    78 S   HC   _H24    73     1.09503   111.52092   -61.39358
   80    78 S   HC   _H25    74     1.09390   111.42008    59.25646
   81    78 S   HC   _H26    75     1.09525   110.53745   178.67352
   82    76 S   CT   _C20    76     1.52406   110.54697    60.82806
   83    82 S   HC   _H27    77     1.09478   111.71734    56.14491
   84    82 S   HC   _H28    78     1.09443   111.53053   -65.03977
   85    82 S   HC   _H29    79     1.09550   110.44594   176.08073
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   5   3   2   1   7  15  11  11   4   5   2
   1   1  12  11   9   8   4   2   1   1  10   5   4   3   2   1
   1  10   6  11   6   5   2   1  12   5   4   9   8   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    54  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    52    54    62    47  
   44    45    46    51    52    54    62    63    64    65    55    47    48    49    50  
   45    46    51    52    54    62    53    47    48    49    50  
   46    51    52    54    55    53    59    47    48    49    50  
   51    52    53    47  
   48    49    50    51    54  
   49    50  
   50  
    0  
   52    54    62    55    56    57    58    53    59    60    61    66  
   54    62    63    64    65    55    56    57    58    53    59  
   59    60    61    66    67    68    71    54    55  
   62    63    64    65    55    56    57    58  
   56    57    58    62  
   57    58  
   58  
    0  
   60    61    66    67    68    69    70    73    71    72  
   61    66    67    68    71  
   66    67    68    71  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    73    74    75    76    71    72  
   68    69    70    73    71    72  
   69    70    73    74    75    76    77    78    82    71    72  
   70    73    74    75    76    71  
   73    74    75    76    71  
   72    73  
    0  
   74    75    76    77    78    79    80    81    82    83    84    85  
   75    76    77    78    82  
   76    77    78    82  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   74   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    54   469.000  1.400
   44    45   469.000  1.400
   44    47   317.000  1.510
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    52   469.000  1.400
   51    53   450.000  1.364
   52    54   469.000  1.400
   52    55   317.000  1.510
   54    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   53    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   367.000  1.471
   73    74   434.000  1.010
   73    75   434.000  1.010
   73    76   367.000  1.471
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    54    70.00000  120.00000
   43    44    45    63.00000  120.00000
   43    44    47    70.00000  120.00000
   43    54    52    63.00000  120.00000
   43    54    62    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    51    63.00000  120.00000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    50    35.00000  109.50000
   45    51    52    63.00000  120.00000
   45    51    53    70.00000  120.00000
   51    45    46    35.00000  120.00000
   51    52    54    63.00000  120.00000
   51    52    55    70.00000  120.00000
   51    53    59    75.00000  111.00000
   52    54    62    70.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   54    43    44    63.00000  120.00000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   55    52    54    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   53    51    52    70.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    66    50.00000  109.50000
   59    66    67    37.50000  110.70000
   59    66    68    58.35000  112.70000
   59    66    71    50.00000  109.50000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    73    80.00000  111.20000
   66    71    72    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    75.00000  113.01200
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    76    77    35.00000  109.50000
   73    76    78    80.00000  111.20000
   73    76    82    80.00000  111.20000
   75    73    74    35.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    37.50000  110.70000
   78    76    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   47    44    45    70.00000  120.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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   0.13850  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    54   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    47   3.62500 -1.0 2.0
   42    43    54    52   3.62500 -1.0 2.0
   42    43    54    62   3.62500 -1.0 2.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    51   3.62500 -1.0 2.0
   43    44    47    48   0.00000  1.0 1.0
   43    44    47    49   0.00000  1.0 1.0
   43    44    47    50   0.00000  1.0 1.0
   43    54    62    63   0.00000  1.0 1.0
   43    54    62    64   0.00000  1.0 1.0
   43    54    62    65   0.00000  1.0 1.0
   44    43    54    52   3.62500 -1.0 2.0
   44    43    54    62   3.62500 -1.0 2.0
   44    45   -51    52   3.62500 -1.0 2.0
   44    45    51    53   3.62500 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   45    44    47    50   0.00000  1.0 1.0
   45    51    52    54   3.62500 -1.0 2.0
   45    51    52    55   3.62500 -1.0 2.0
   45    51    53    59   1.63200 -1.0 2.0
   46    45    51    52   3.62500 -1.0 2.0
   46    45    51    53   3.62500 -1.0 2.0
   51    52   -54    43   3.62500 -1.0 2.0
   51    52    54    62   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    58   0.00000  1.0 1.0
   51    53    59    60   0.08050  1.0 3.0
   51    53    59    61   0.08050  1.0 3.0
   51    53    59    66  -0.32850  1.0 1.0
   51    53    59    66  -0.35800 -1.0 2.0
   51    53    59    66   0.33950  1.0 3.0
   52    51    53    59   1.63200 -1.0 2.0
   52    54    62    63   0.00000  1.0 1.0
   52    54    62    64   0.00000  1.0 1.0
   52    54    62    65   0.00000  1.0 1.0
   54    43   -44    45   3.62500 -1.0 2.0
   54    43    44    47   3.62500 -1.0 2.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.00000  1.0 1.0
   54    52    55    58   0.00000  1.0 1.0
   55    52    54    43   3.62500 -1.0 2.0
   55    52    54    62   3.62500 -1.0 2.0
   53    51    52    54   3.62500 -1.0 2.0
   53    51    52    55   3.62500 -1.0 2.0
   53    59    66    67   0.23400  1.0 3.0
   53    59    66    68   0.62750  1.0 1.0
   53    59    66    68  -0.30950 -1.0 2.0
   53    59    66    68   0.27300  1.0 3.0
   53    59    66    71   3.69350  1.0 1.0
   53    59    66    71  -1.82950 -1.0 2.0
   59    66    68    69   0.15000  1.0 3.0
   59    66    68    70   0.15000  1.0 3.0
   59    66    68    73   1.36600  1.0 1.0
   59    66    68    73  -0.11450 -1.0 2.0
   59    66    68    73   0.24250  1.0 3.0
   59    66    71    72  -0.11600  1.0 1.0
   59    66    71    72  -0.09450 -1.0 2.0
   59    66    71    72   0.21250  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    71   0.23400  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    71   0.23400  1.0 3.0
   66    68    73    74   0.17350  1.0 3.0
   66    68    73    75   0.17350  1.0 3.0
   66    68    73    76   0.47100  1.0 1.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    73   0.19200  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72  -0.11600  1.0 1.0
   68    66    71    72  -0.09450 -1.0 2.0
   68    66    71    72   0.21250  1.0 3.0
   68    73    76    77   0.15000  1.0 3.0
   68    73    76    78   0.47100  1.0 1.0
   68    73    76    82   0.47100  1.0 1.0
   69    68    73    74   0.13050  1.0 3.0
   69    68    73    75   0.13050  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   70    68    73    74   0.13050  1.0 3.0
   70    68    73    75   0.13050  1.0 3.0
   70    68    73    76   0.15000  1.0 3.0
   73    76    78    79   0.19200  1.0 3.0
   73    76    78    80   0.19200  1.0 3.0
   73    76    78    81   0.19200  1.0 3.0
   73    76    82    83   0.19200  1.0 3.0
   73    76    82    84   0.19200  1.0 3.0
   73    76    82    85   0.19200  1.0 3.0
   74    73    76    77   0.13050  1.0 3.0
   74    73    76    78   0.17350  1.0 3.0
   74    73    76    82   0.17350  1.0 3.0
   75    73    76    77   0.13050  1.0 3.0
   75    73    76    78   0.17350  1.0 3.0
   75    73    76    82   0.17350  1.0 3.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    85   0.15000  1.0 3.0
   82    76    78    79   0.15000  1.0 3.0
   82    76    78    80   0.15000  1.0 3.0
   82    76    78    81   0.15000  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    73   1.69300  1.0 1.0
   71    66    68    73  -0.48450 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    51   3.62500 -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
   44    54    43    42   4.00000 -1.0 2.0
   45    47    44    43   4.00000 -1.0 2.0
   51    46    45    44   1.10000 -1.0 2.0
   52    53    51    45   4.00000 -1.0 2.0
   54    55    52    51   4.00000 -1.0 2.0
   52    62    54    43   4.00000 -1.0 2.0
END
