* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    150    226     434
    1     0 S   NP   _N1_     1    29.02943    96.91019   -23.68955
    2     1 S   H    _HN1     2     1.02812   113.24125  -140.94082
    3     1 S   H    _H1_     3     1.02849    82.61423   -34.21153
    4     1 S   H    _H2_     4     1.02951    25.07258   136.77020
    5     1 S   CT   _CA1     5     1.50558   124.69414    76.59857
    6     5 S   HC   _HA1     6     1.09698   104.49766    86.43260
    7     5 S   CO3  _C1_     7     1.54353   110.84846   -29.19171
    8     7 S   O2Z  _O11     8     1.25972   116.73926  -118.09254
    9     7 S   O2Z  _O12     9     1.26597   113.72576    60.93981
   10     5 S   CT   _CB1    10     1.53108   106.91706  -157.71895
   11    10 S   HC   HB11    11     1.09856   109.68789   -42.81805
   12    10 S   HC   HB12    12     1.09768   110.34583    73.78572
   13    10 S   CT   _CG1    13     1.53060   112.52846  -163.34102
   14    13 S   HC   HG11    14     1.09436   111.01696   -65.16386
   15    13 S   HC   HG12    15     1.09661   109.64127    54.09586
   16    13 S   C    _CD1    16     1.51774   111.92313   174.53575
   17    16 S   O    _OE1    17     1.22769   123.12918    13.78472
   18    16 S   N    _N2_    18     1.38649   111.92890  -166.31478
   19    18 S   H    _HN2    19     1.01596   119.10806     1.02488
   20    18 S   CT1  _CA2    20     1.46352   123.31148   177.99885
   21    20 S   HC   _HA2    21     1.09727   109.16624     9.86902
   22    20 S   C    _C2_    22     1.53685   109.34839  -105.97939
   23    22 S   O    _O2_    23     1.23101   122.09006  -152.34041
   24    20 S   CT   _CB2    32     1.53385   111.43803   131.67326
   25    24 S   HC   HB21    33     1.09412   109.26219    60.84364
   26    24 S   HC   HB22    34     1.09510   110.45342   179.07254
   27    22 S   N    _N3_    24     1.38253   114.05302    34.96387
   28    27 S   H    _HN3    25     1.01520   119.56771    -3.24244
   29    24 S   S    _SG2    35     1.82918   111.08598   -61.28141
   30    27 S   CT   _CA3    26     1.45266   123.39753   177.38738
   31    30 S   HC   HA31    27     1.09544   107.49387   -65.42086
   32    30 S   HC   HA32    28     1.09552   108.03927    51.06881
   33    29 S   CT   _C23    36     1.86224   100.65440   155.56712
   34    33 S   OM   _O36    37     1.31975   110.32125  -175.60872
   35    30 S   CO3  _C3_    29     1.53001   113.97374   173.04751
   36    35 S   O2Z  _O31    30     1.26404   116.06965    -1.36229
   37    35 S   O2Z  _O32    31     1.26430   114.41393   178.71397
   38    33 S   CM   _C24    38     1.55503   107.25873    68.48163
   39    33 S   OS   _O35    46     1.45074   113.27729   -50.36267
   40    38 S   CM   _C25    39     1.34851   122.91208  -117.03571
   41    40 S   HC   _H22    40     1.08400   122.38137     0.09279
   42    40 S   HC   _H23    41     1.08523   121.40781   179.97202
   43    38 S   CT   _C26    42     1.51906   119.29602    62.82197
   44    43 S   HC   _H24    43     1.09381   111.33520   -60.19409
   45    43 S   HC   _H25    44     1.09611   111.89400  -179.52646
   46    43 S   HC   _H26    45     1.09457   111.18314    61.20682
   47    39 S   CA   _C20    47     1.36632   125.11342   -54.74700
   48    47 S   CA   _C19    48     1.39743   114.18237   168.01687
   49    48 S   HA   _H19    49     1.08796   119.84491     0.27340
   50    48 S   CA   _C18    50     1.39892   121.17193  -179.14728
   51    50 S   HA   _H18    51     1.08562   117.47530   179.38802
   52    50 S   CA   _C17    52     1.40101   120.91643    -0.28939
   53    52 S   CA   _C22    53     1.40891   117.27100    -0.08393
   54    53 S   HA   _H21    54     1.08868   120.33700   179.76261
   55    52 S   CT   _C14    57     1.54460   122.85237   178.97512
   56    47 S   CA   _C21    55     1.39026   127.16800   -12.11570
   57    56 S   HA   _H20    56     1.08446   122.16634    -1.19567
   58    55 S   CA   _C11    58     1.54637   110.86808   128.46825
   59    55 S   CT   _C15    79     1.55070   106.21589  -107.42937
   60    59 S   HC   _H12    80     1.09740   111.18793    56.95895
   61    59 S   HC   _H13    81     1.09652   111.73645   176.59222
   62    59 S   HC   _H14    82     1.09462   112.01255   -62.56101
   63    55 S   CT   _C16    83     1.55261   113.80881     8.31831
   64    63 S   HC   _H15    84     1.09669   111.67493   -63.27313
   65    63 S   HC   _H16    85     1.09627   112.41963    57.47115
   66    63 S   HC   _H17    86     1.09741   111.04018   177.44457
   67    58 S   CA   _C10    59     1.40737   122.73679   121.79341
   68    67 S   HA   _H9_    60     1.08601   121.49869     0.11364
   69    67 S   CA   _C9_    61     1.39706   121.14194  -179.86730
   70    69 S   HA   _H8_    62     1.08596   119.91216  -179.70392
   71    69 S   CA   _C8_    63     1.39080   119.35111     0.50397
   72    71 S   CA   _C13    64     1.39014   121.24297    -1.27319
   73    72 S   HA   _H11    65     1.08551   120.84390  -178.93854
   74    71 S   OS   _O34    68     1.39665   119.23246  -178.13996
   75    58 S   CA   _C12    66     1.41287   119.46732   -58.25971
   76    75 S   HA   _H10    67     1.08795   120.32207     0.06853
   77    74 S   CO4  _C7_    69     1.38499   113.20770   -93.26251
   78    77 S   O    _O33    70     1.22465   126.46879    -0.03956
   79    77 S   CM   _C5_    71     1.49369   110.96640   179.97202
   80    79 S   CM   _C6_    72     1.34176   122.25504     0.19483
   81    80 S   HC   _H6_    73     1.08597   120.72380  -180.00000
   82    80 S   HC   _H7_    74     1.08441   123.18040    -0.00000
   83    79 S   CT   _C4_    75     1.50010   115.84195  -179.80820
   84    83 S   HC   _H3_    76     1.09505   110.45094   -60.09319
   85    83 S   HC   _H4_    77     1.09528   112.06265   179.97202
   86    83 S   HC   _H5_    78     1.09505   110.44998    60.04213
  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   7   5   4   3
  13   5   2   1   1   9   9   6   2   1   3   2   1   1   9   8
   4   9   3  16   7   3  16   1   1  17   9   3   2   1   5   2
   1   1   8   4   7   3   8   5   3   6   1   1   9   3   7   6
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    43    39    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    43    44    45    46    39    47    48    56  
   38    40    43    39    47  
   36    37  
   37  
    0  
   40    41    42    43    44    45    46    39    47  
   47    48    49    50    53    56    57    40    43  
   41    42    43    44    45    46  
   42    43  
   43  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    56    57  
   49    50    51    52    53    56    57    55  
   50    51    52    56  
   51    52    53    54    56    55    58    59    63  
   52    53    55  
   53    54    56    57    55    58    67    75    59    60    61    62    63    64    65    66  
   54    56    57    55    58    59    63  
   56    57    55  
   58    67    68    69    72    75    76    59    60    61    62    63    64    65    66    56  
   57  
    0  
   67    68    69    70    71    72    73    75    76    59    60    61    62    63    64    65    66  
   60    61    62    63    64    65    66    67    75  
   61    62    63  
   62    63  
   63  
   64    65    66    67    75  
   65    66  
   66  
    0  
   68    69    70    71    72    75    76    74  
   69    70    71    75  
   70    71    72    73    75    74    77  
   71    72    74  
   72    73    75    76    74    77    78    79  
   73    75    76    74    77  
   75    76    74  
   77    78    79    80    83    75  
   76  
    0  
   78    79    80    81    82    83    84    85    86  
   79    80    83  
   80    81    82    83    84    85    86  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   0.640400   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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   570.000  1.307
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   549.000  1.340
   38    43   317.000  1.510
   40    41   340.000  1.080
   40    42   340.000  1.080
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    47   450.000  1.364
   47    48   469.000  1.400
   47    56   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   55    58   317.000  1.510
   55    59   268.000  1.529
   55    63   268.000  1.529
   58    67   469.000  1.400
   58    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    75   469.000  1.400
   75    76   367.000  1.080
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    79   320.000  1.462
   79    80   549.000  1.340
   79    83   317.000  1.510
   80    81   340.000  1.080
   80    82   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    47    75.00000  111.00000
   38    33    34    85.00000  110.90400
   38    40    41    35.00000  120.00000
   38    40    42    35.00000  120.00000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   42    40    41    35.00000  117.00000
   43    38    40    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    34   110.00000  112.65000
   39    33    38    85.00000  110.90400
   39    47    48    70.00000  120.00000
   39    47    56    70.00000  120.00000
   47    48    49    35.00000  120.00000
   47    48    50    63.00000  120.00000
   47    56    53    63.00000  120.00000
   47    56    57    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    70.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    56    63.00000  120.00000
   52    55    58    70.00000  112.04700
   52    55    59    70.00000  112.17500
   52    55    63    70.00000  112.17500
   53    56    57    35.00000  120.00000
   56    47    48    63.00000  120.00000
   56    53    54    35.00000  120.00000
   55    52    53    70.00000  120.00000
   55    58    67    70.00000  120.00000
   55    58    75    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   58    67    68    35.00000  120.00000
   58    67    69    63.00000  120.00000
   58    75    72    63.00000  120.00000
   58    75    76    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    75    63.00000  120.00000
   71    74    77    85.00000  115.98000
   72    75    76    35.00000  120.00000
   75    58    67    63.00000  120.00000
   75    72    73    35.00000  120.00000
   74    71    72    70.00000  120.00000
   74    77    78    83.00000  123.40000
   74    77    79    90.00000  111.29400
   77    79    80    65.00000  118.96000
   77    79    83    65.00000  116.34900
   79    77    78    80.00000  123.72100
   79    80    81    35.00000  120.00000
   79    80    82    35.00000  120.00000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   82    80    81    35.00000  117.00000
   83    79    80    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   59    55    58    70.00000  112.17500
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    55    58    70.00000  112.17500
   63    55    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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  -0.62250  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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    47   0.14700  1.0 1.0
   29    33    39    47  -1.16150 -1.0 2.0
   29    33    39    47   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    45   0.34800  1.0 3.0
   33    38    43    46   0.34800  1.0 3.0
   33    39    47    48   1.63200 -1.0 2.0
   33    39    47    56   1.63200 -1.0 2.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    47  -0.25600  1.0 1.0
   34    33    39    47  -0.40050 -1.0 2.0
   34    33    39    47   0.34700  1.0 3.0
   38    33    39    47  -0.25600  1.0 1.0
   38    33    39    47  -0.40050 -1.0 2.0
   38    33    39    47   0.34700  1.0 3.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    45   0.00000  1.0 1.0
   40    38    43    46   0.00000  1.0 1.0
   43    38    40    41   7.00000 -1.0 2.0
   43    38    40    42   7.00000 -1.0 2.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   39    47    48    49   3.62500 -1.0 2.0
   39    47    48    50   3.62500 -1.0 2.0
   39    47    56    53   3.62500 -1.0 2.0
   39    47    56    57   3.62500 -1.0 2.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    52   3.62500 -1.0 2.0
   48    47    56    53   3.62500 -1.0 2.0
   48    47    56    57   3.62500 -1.0 2.0
   48    50   -52    53   3.62500 -1.0 2.0
   48    50    52    55   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    56   3.62500 -1.0 2.0
   50    52    55    58   0.04300 -1.0 2.0
   50    52    55    59   0.04150 -1.0 2.0
   50    52    55    63   0.04150 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53   -56    47   3.62500 -1.0 2.0
   52    53    56    57   3.62500 -1.0 2.0
   52    55    58    67   0.04300 -1.0 2.0
   52    55    58    75   0.04300 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55    59    62   0.43200  1.0 3.0
   52    55    63    64   0.43200  1.0 3.0
   52    55    63    65   0.43200  1.0 3.0
   52    55    63    66   0.43200  1.0 3.0
   53    52    55    58   0.04300 -1.0 2.0
   53    52    55    59   0.04150 -1.0 2.0
   53    52    55    63   0.04150 -1.0 2.0
   54    53    56    47   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   56    47    48    49   3.62500 -1.0 2.0
   56    47   -48    50   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   55    58    67    68   3.62500 -1.0 2.0
   55    58    67    69   3.62500 -1.0 2.0
   55    58    75    72   3.62500 -1.0 2.0
   55    58    75    76   3.62500 -1.0 2.0
   58    55    59    60   0.43200  1.0 3.0
   58    55    59    61   0.43200  1.0 3.0
   58    55    59    62   0.43200  1.0 3.0
   58    55    63    64   0.43200  1.0 3.0
   58    55    63    65   0.43200  1.0 3.0
   58    55    63    66   0.43200  1.0 3.0
   58    67    69    70   3.62500 -1.0 2.0
   58    67    69    71   3.62500 -1.0 2.0
   67    58    75    72   3.62500 -1.0 2.0
   67    58    75    76   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    74   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    75   3.62500 -1.0 2.0
   69    71    74    77   0.01300  1.0 1.0
   69    71    74    77   0.97950 -1.0 2.0
   69    71    74    77  -0.55700  1.0 3.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72   -75    58   3.62500 -1.0 2.0
   71    72    75    76   3.62500 -1.0 2.0
   71    74    77    78   3.00000 -1.0 2.0
   71    74    77    79   2.00000 -1.0 2.0
   72    71    74    77   0.01300  1.0 1.0
   72    71    74    77   0.97950 -1.0 2.0
   72    71    74    77  -0.55700  1.0 3.0
   73    72    75    58   3.62500 -1.0 2.0
   73    72    75    76   3.62500 -1.0 2.0
   75    58    67    68   3.62500 -1.0 2.0
   75    58   -67    69   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    75   3.62500 -1.0 2.0
   74    77    79    80  -0.56150  1.0 1.0
   74    77    79    80   2.19150 -1.0 2.0
   74    77    79    83  -0.15000  1.0 1.0
   74    77    79    83   0.89550 -1.0 2.0
   74    77    79    83  -0.06900  1.0 3.0
   77    79    80    81   7.00000 -1.0 2.0
   77    79    80    82   7.00000 -1.0 2.0
   77    79    83    84   0.15000  1.0 3.0
   77    79    83    85   0.15000  1.0 3.0
   77    79    83    86   0.15000  1.0 3.0
   78    77    79    80   1.00000 -1.0 2.0
   78    77    79    83  -0.64400  1.0 1.0
   78    77    79    83   0.26850 -1.0 2.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    86   0.00000  1.0 1.0
   83    79    80    81   7.00000 -1.0 2.0
   83    79    80    82   7.00000 -1.0 2.0
   59    55    58    67   0.04150 -1.0 2.0
   59    55    58    75   0.04150 -1.0 2.0
   59    55    63    64   0.15000  1.0 3.0
   59    55    63    65   0.15000  1.0 3.0
   59    55    63    66   0.15000  1.0 3.0
   63    55    58    67   0.04150 -1.0 2.0
   63    55    58    75   0.04150 -1.0 2.0
   63    55    59    60   0.15000  1.0 3.0
   63    55    59    61   0.15000  1.0 3.0
   63    55    59    62   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    43    38    40  15.00000 -1.0 2.0
   41    42    40    38  15.00000 -1.0 2.0
   48    56    47    39   4.00000 -1.0 2.0
   50    49    48    47   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   56    54    53    52   1.10000 -1.0 2.0
   53    57    56    47   1.10000 -1.0 2.0
   67    75    58    55   4.00000 -1.0 2.0
   69    68    67    58   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   75    73    72    71   1.10000 -1.0 2.0
   72    76    75    58   1.10000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
   77    83    79    80  15.00000 -1.0 2.0
   81    82    80    79  15.00000 -1.0 2.0
END
