* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    157    229     459
    1     0 S   NP   _N1_     1    28.68263    95.71614   -22.39224
    2     1 S   H    _HN1     2     1.02951    77.84560     5.46020
    3     1 S   H    _H1_     3     1.02827    35.68297   150.05627
    4     1 S   H    _H2_     4     1.02787    98.88967  -101.54185
    5     1 S   CT   _CA1     5     1.50112   142.07945   113.13195
    6     5 S   HC   _HA1     6     1.09573   105.20156    81.19048
    7     5 S   CO3  _C1_     7     1.53793   112.48666   -39.07133
    8     7 S   O2Z  _O11     8     1.26375   115.00910   -42.08744
    9     7 S   O2Z  _O12     9     1.26243   114.95243   137.08252
   10     5 S   CT   _CB1    10     1.53069   107.41736  -160.79931
   11    10 S   HC   HB11    11     1.09834   109.39207   -49.59148
   12    10 S   HC   HB12    12     1.09814   110.43521    67.02321
   13    10 S   CT   _CG1    13     1.52985   112.59863  -170.56466
   14    13 S   HC   HG11    14     1.09582   110.63479   -65.41857
   15    13 S   HC   HG12    15     1.09671   109.78640    53.82012
   16    13 S   C    _CD1    16     1.51794   112.22197   174.29264
   17    16 S   O    _OE1    17     1.22702   123.21729     6.89785
   18    16 S   N    _N2_    18     1.38608   111.62046  -173.28256
   19    18 S   H    _HN2    19     1.01559   118.88591     1.85023
   20    18 S   CT1  _CA2    20     1.46265   123.50757   177.33244
   21    20 S   HC   _HA2    21     1.09672   109.50968     1.53875
   22    20 S   C    _C2_    22     1.53513   107.88735  -114.14229
   23    22 S   O    _O2_    23     1.23040   122.43899  -142.72954
   24    20 S   CT   _CB2    32     1.53298   111.44348   123.87216
   25    24 S   HC   HB21    33     1.09479   109.84109    55.51179
   26    24 S   HC   HB22    34     1.09452   110.22835   174.33780
   27    22 S   N    _N3_    24     1.38399   113.47894    43.74045
   28    27 S   H    _HN3    25     1.01574   119.46599    -1.04904
   29    24 S   S    _SG2    35     1.82752   111.58822   -65.69506
   30    27 S   CT   _CA3    26     1.45268   123.25771   177.42413
   31    30 S   HC   HA31    27     1.09544   107.25522   -72.17929
   32    30 S   HC   HA32    28     1.09558   108.31690    44.32573
   33    29 S   CT   _C14    36     1.83985    99.68219  -175.39002
   34    33 S   HC   _H3_    37     1.09249   107.10333    43.82869
   35    30 S   CO3  _C3_    29     1.52979   114.12575   166.61134
   36    35 S   O2Z  _O31    30     1.26376   116.17076     1.11820
   37    35 S   O2Z  _O32    31     1.26462   114.40160  -178.70502
   38    33 S   CM   _C15    38     1.51044   107.14726   163.19147
   39    38 S   HC   _H21    39     1.09062   115.87923    60.46830
   40    33 S   CT   _C13    61     1.53433   110.38754   -76.28398
   41    40 S   HC   _H19    62     1.09726   110.36540   -66.21631
   42    40 S   HC   _H20    63     1.09519   111.94149    53.58247
   43    38 S   CM   _C16    40     1.34292   127.78051  -120.31955
   44    43 S   HC   _H22    41     1.08964   116.73735  -179.22066
   45    40 S   CO4  _C12    64     1.52350   112.21015   172.61005
   46    45 S   O    _O33    65     1.23104   121.46978   -33.52709
   47    43 S   CT   _C17    42     1.50076   127.98416    -0.22206
   48    47 S   HC   _H23    43     1.09105   112.45344    -5.29095
   49    47 S   HC   _H24    44     1.09707   108.15459  -120.84607
   50    45 S   CT   _C11    66     1.52317   115.77149   150.11523
   51    50 S   HC   _H17    67     1.09434   109.13952   -47.99663
   52    50 S   HC   _H18    68     1.09538   108.21199    68.58042
   53    47 S   CM   _C18    45     1.50080   111.29426   120.74462
   54    53 S   HC   _H25    46     1.08957   115.24604    71.65187
   55    50 S   CM   _C10    69     1.49720   111.71165  -170.87221
   56    55 S   HC   _H16    70     1.08854   115.72653   -93.95009
   57    53 S   CM   _C19    47     1.34199   127.80651  -108.88944
   58    57 S   HC   _H26    48     1.08935   116.94486  -179.18123
   59    55 S   CM   _C9_    71     1.34241   126.74671    86.28978
   60    59 S   HC   _H15    72     1.08881   117.40621   179.47362
   61    57 S   CT   _C20    49     1.50174   127.90988     0.95203
   62    61 S   HC   _H27    50     1.09673   108.06966  -120.70178
   63    61 S   HC   _H28    51     1.09380   112.07036    -3.46187
   64    59 S   CT   _C8_    73     1.50192   126.90912    -1.46607
   65    64 S   HC   _H13    74     1.09659   108.38386   124.17750
   66    64 S   HC   _H14    75     1.09457   111.70369     7.02426
   67    61 S   CT   _C21    52     1.53089   110.99028   118.99525
   68    67 S   HC   _H29    53     1.09757   109.60703   -62.49882
   69    67 S   HC   _H30    54     1.09772   109.85908    54.44323
   70    64 S   CT   _C7_    76     1.53042   110.95266  -115.19755
   71    70 S   HC   _H11    77     1.09718   109.66181    58.14103
   72    70 S   HC   _H12    78     1.09740   109.86037   -59.13055
   73    67 S   CT   _C22    55     1.52564   111.44826   175.83642
   74    73 S   HC   _H31    56     1.09604   109.57282    57.03999
   75    73 S   HC   _H32    57     1.09708   109.44411   -60.20270
   76    70 S   CT   _C6_    79     1.52974   111.28604   179.45035
   77    76 S   HC   _H9_    80     1.09663   109.59110   -57.80302
   78    76 S   HC   _H10    81     1.09683   109.57807    59.39180
   79    73 S   CO3  _C23    58     1.53180   115.12916   178.69075
   80    79 S   O2Z  _O35    59     1.26493   114.03345  -175.34183
   81    79 S   O2Z  _O34    60     1.26122   116.65482     4.83683
   82    76 S   CT   _C5_    82     1.52839   111.33652  -179.22798
   83    82 S   HC   _H7_    83     1.09618   109.83103   -60.11991
   84    82 S   HC   _H8_    84     1.09589   109.97376    57.60444
   85    82 S   CT   _C4_    85     1.52016   111.47929   178.69569
   86    85 S   HC   _H4_    86     1.09474   110.97201   -60.44284
   87    85 S   HC   _H5_    87     1.09465   111.01308    60.08713
   88    85 S   HC   _H6_    88     1.09448   110.25937   179.85329
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11   4   9   4   3   7   4   7   4   7   4
   3   7   4   3   7   3   7   3   8   4   8   4   9   5   4   9
   5   4   8   5   4   9   5   4   5   4   3   9   5   4   2   1
   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    53    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    51    52    55    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    53    54    57  
   47    48    49    53  
   46    50    51    52    55    56    59  
   50    51    52    55  
   48    49    53    54    57    58    61  
   49    53    54    57  
   53    54    57  
   51    52    55    56    59    60    64  
   52    55    56    59  
   55    56    59  
   54    57    58    61    62    63    67  
   57    58    61  
   56    59    60    64    65    66    70  
   59    60    64  
   58    61    62    63    67    68    69    73  
   61    62    63    67  
   60    64    65    66    70    71    72    76  
   64    65    66    70  
   62    63    67    68    69    73    74    75    79  
   63    67    68    69    73  
   67    68    69    73  
   65    66    70    71    72    76    77    78    82  
   66    70    71    72    76  
   70    71    72    76  
   68    69    73    74    75    79    80    81  
   69    73    74    75    79  
   73    74    75    79  
   71    72    76    77    78    82    83    84    85  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81  
   75    79    80    81  
   79    80    81  
   77    78    82    83    84    85    86    87    88  
   78    82    83    84    85  
   82    83    84    85  
   80    81  
   81  
    0  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   317.000  1.510
   53    54   340.000  1.080
   53    57   549.000  1.340
   57    58   340.000  1.080
   57    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   317.000  1.522
   79    80   656.000  1.250
   79    81   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    60   340.000  1.080
   59    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    53    70.00000  110.12100
   47    43    44    35.00000  117.00000
   47    53    54    35.00000  117.00000
   47    53    57    70.00000  124.00000
   49    47    48    33.00000  107.80000
   53    47    48    35.00000  109.50000
   53    47    49    35.00000  109.50000
   53    57    58    35.00000  120.00000
   53    57    61    70.00000  124.00000
   57    53    54    35.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    67    70.00000  112.02700
   61    57    58    35.00000  117.00000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    73    58.35000  112.70000
   63    61    62    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    70.00000  109.69300
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    79    80    70.00000  117.00000
   73    79    81    70.00000  117.00000
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   81    79    80    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    50    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    55    70.00000  109.06800
   50    45    46    80.00000  120.40000
   50    55    56    35.00000  117.00000
   50    55    59    70.00000  124.00000
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    59    60    35.00000  120.00000
   55    59    64    70.00000  124.00000
   59    55    56    35.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    70    70.00000  112.02700
   64    59    60    35.00000  117.00000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    76    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.60050  1.0 1.0
   33    40    45    50   0.05600 -1.0 2.0
   33    40    45    50   0.26150  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    53  -0.28300  1.0 1.0
   38    43    47    53   0.26700 -1.0 2.0
   38    43    47    53  -0.63300  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    53    54   0.00000  1.0 1.0
   43    47    53    57  -0.28300  1.0 1.0
   43    47    53    57   0.26700 -1.0 2.0
   43    47    53    57  -0.63300  1.0 3.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    53   0.00000  1.0 1.0
   47    53    57    58   7.00000 -1.0 2.0
   47    53    57    61   7.00000 -1.0 2.0
   48    47    53    54   0.33100  1.0 3.0
   48    47    53    57   0.00000  1.0 1.0
   49    47    53    54   0.33100  1.0 3.0
   49    47    53    57   0.00000  1.0 1.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    63   0.00000  1.0 1.0
   53    57    61    67   0.09850  1.0 1.0
   53    57    61    67   0.15250 -1.0 2.0
   53    57    61    67  -0.50650  1.0 3.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    61   7.00000 -1.0 2.0
   57    61    67    68   0.15000  1.0 3.0
   57    61    67    69   0.15000  1.0 3.0
   57    61    67    73   0.34400  1.0 1.0
   57    61    67    73   0.09450 -1.0 2.0
   57    61    67    73   0.11100  1.0 3.0
   58    57    61    62   0.33100  1.0 3.0
   58    57    61    63   0.33100  1.0 3.0
   58    57    61    67   0.00000  1.0 1.0
   61    67    73    74   0.15000  1.0 3.0
   61    67    73    75   0.15000  1.0 3.0
   61    67    73    79  -1.63150  1.0 1.0
   61    67    73    79  -0.43550 -1.0 2.0
   61    67    73    79   0.24500  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    73   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    69   0.15000  1.0 3.0
   63    61    67    73   0.15000  1.0 3.0
   67    73    79    80   0.41150 -1.0 2.0
   67    73    79    81   0.41150 -1.0 2.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79  -0.11250  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    79  -0.11250  1.0 3.0
   74    73    79    80   0.00000  1.0 1.0
   74    73    79    81   0.00000  1.0 1.0
   75    73    79    80   0.00000  1.0 1.0
   75    73    79    81   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    52   0.00000  1.0 1.0
   40    45    50    55   0.65300  1.0 1.0
   40    45    50    55  -0.03850 -1.0 2.0
   40    45    50    55   0.33900  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    59  -0.51250  1.0 1.0
   45    50    55    59  -0.88800 -1.0 2.0
   45    50    55    59   0.08850  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   46    45    50    55   0.30150 -1.0 2.0
   50    55    59    60   7.00000 -1.0 2.0
   50    55    59    64   7.00000 -1.0 2.0
   51    50    55    56   0.33100  1.0 3.0
   51    50    55    59   0.00000  1.0 1.0
   52    50    55    56   0.33100  1.0 3.0
   52    50    55    59   0.00000  1.0 1.0
   55    59    64    65   0.00000  1.0 1.0
   55    59    64    66   0.00000  1.0 1.0
   55    59    64    70   0.09850  1.0 1.0
   55    59    64    70   0.15250 -1.0 2.0
   55    59    64    70  -0.50650  1.0 3.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    64   7.00000 -1.0 2.0
   59    64    70    71   0.15000  1.0 3.0
   59    64    70    72   0.15000  1.0 3.0
   59    64    70    76   0.34400  1.0 1.0
   59    64    70    76   0.09450 -1.0 2.0
   59    64    70    76   0.11100  1.0 3.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    66   0.33100  1.0 3.0
   60    59    64    70   0.00000  1.0 1.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    82   0.56750  1.0 1.0
   64    70    76    82  -0.07550 -1.0 2.0
   64    70    76    82   0.20000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    76   0.15000  1.0 3.0
   70    76    82    83   0.15000  1.0 3.0
   70    76    82    84   0.15000  1.0 3.0
   70    76    82    85   0.56750  1.0 1.0
   70    76    82    85  -0.07550 -1.0 2.0
   70    76    82    85   0.20000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82   0.15000  1.0 3.0
   76    82    85    86   0.15000  1.0 3.0
   76    82    85    87   0.15000  1.0 3.0
   76    82    85    88   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
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   47    54    53    57  15.00000 -1.0 2.0
   61    58    57    53  15.00000 -1.0 2.0
   80    73    79    81  10.50000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
   50    56    55    59  15.00000 -1.0 2.0
   64    60    59    55  15.00000 -1.0 2.0
END
