* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    150    207     423
    1     0 S   NP   _N1_     1    28.62335    94.38848   -23.44536
    2     1 S   H    _HN1     2     1.02959    84.39073    23.74117
    3     1 S   H    _H1_     3     1.02833    26.93594   171.28093
    4     1 S   H    _H2_     4     1.02777   102.55530   -83.82833
    5     1 S   CT   _CA1     5     1.50124   134.23611   136.85996
    6     5 S   HC   _HA1     6     1.09575   105.22257    75.03383
    7     5 S   CO3  _C1_     7     1.53776   112.38364   -45.16314
    8     7 S   O2Z  _O11     8     1.26361   114.99826   -43.81660
    9     7 S   O2Z  _O12     9     1.26236   114.91631   135.31764
   10     5 S   CT   _CB1    10     1.53089   107.41758  -167.07043
   11    10 S   HC   HB11    11     1.09827   109.30113   -50.78837
   12    10 S   HC   HB12    12     1.09818   110.42785    65.74862
   13    10 S   CT   _CG1    13     1.53017   112.69978  -171.88405
   14    13 S   HC   HG11    14     1.09595   110.47218   -64.50350
   15    13 S   HC   HG12    15     1.09656   109.95448    54.72934
   16    13 S   C    _CD1    16     1.51826   112.29211   175.06271
   17    16 S   O    _OE1    17     1.22726   123.24833    -0.53522
   18    16 S   N    _N2_    18     1.38617   111.66464   179.69999
   19    18 S   H    _HN2    19     1.01582   119.03829     1.28466
   20    18 S   CT1  _CA2    20     1.46218   123.42352   179.54933
   21    20 S   HC   _HA2    21     1.09730   109.46273    -2.33850
   22    20 S   C    _C2_    22     1.53499   108.28501  -117.99750
   23    22 S   O    _O2_    23     1.23021   122.27310  -143.97742
   24    20 S   CT   _CB2    32     1.53437   111.56041   119.68833
   25    24 S   HC   HB21    33     1.09461   109.44671    57.21324
   26    24 S   HC   HB22    34     1.09427   109.63591   175.96221
   27    22 S   N    _N3_    24     1.38520   113.46964    43.22877
   28    27 S   H    _HN3    25     1.01490   118.98456    -0.32746
   29    24 S   S    _SG2    35     1.83216   111.40948   -63.98301
   30    27 S   CT   _CA3    26     1.45444   123.42203   175.33049
   31    30 S   HC   HA31    27     1.09522   109.26340    24.28768
   32    30 S   HC   HA32    28     1.09497   107.11969   141.28627
   33    29 S   CT   _C13    36     1.87312   101.28864   176.94802
   34    30 S   CO3  _C3_    29     1.52914   113.07972   -99.21164
   35    34 S   O2Z  _O31    30     1.26405   115.38141   -45.12197
   36    34 S   O2Z  _O32    31     1.26352   114.99644   135.82252
   37    33 S   CM   _C7_    37     1.52928   109.67663    60.88859
   38    33 S   CT   _C20    58     1.55968   106.93692  -176.62438
   39    38 S   HC   _H45    59     1.09552   110.21821    56.38695
   40    38 S   HC   _H46    60     1.09825   110.70256   -58.99817
   41    37 S   CMA  _C4_    38     1.36011   123.32123  -117.65675
   42    41 S   OM   _O20    39     1.26408   129.33896  -177.17735
   43    37 S   CT   _C14    54     1.52366   116.28628    64.28847
   44    43 S   HC   _H27    55     1.09364   111.28832   -55.75206
   45    43 S   HC   _H28    56     1.09466   113.18397  -175.13578
   46    43 S   HC   _H29    57     1.09384   110.80351    65.10952
   47    38 S   CM   _C9_    61     1.51119   113.23466  -179.40719
   48    47 S   HC   _H25    62     1.09004   113.95645    69.42836
   49    41 S   CM   _C5_    40     1.48184   118.78385     2.35277
   50    47 S   CM   _C11    63     1.34743   128.67699  -109.79435
   51    49 S   CM   _C6_    41     1.34399   123.89192    -7.03051
   52    49 S   OS   _O22    49     1.39953   117.22762   177.42641
   53    50 S   CT   _C15    64     1.50330   125.41666    -1.15657
   54    53 S   HC   _H30    65     1.09434   110.43816   117.88213
   55    53 S   HC   _H31    66     1.09516   109.98272  -122.68188
   56    53 S   HC   _H32    67     1.09127   113.71604    -2.63626
   57    50 S   CT   _C22    68     1.51697   119.39913   178.67323
   58    57 S   HC   _H49    69     1.09768   109.47670   135.66045
   59    57 S   HC   _H50    70     1.09855   110.02152    20.05586
   60    33 S   CO4  _C8_    42     1.53704   105.78798   -62.86586
   61    60 S   O    _O21    43     1.23384   121.96535   -58.74356
   62    51 S   OS   _O23    44     1.38449   121.94203  -178.58570
   63    52 S   CT   _C18    50     1.42909   110.81939   -98.09172
   64    63 S   HC   _H39    51     1.09393   107.80671   175.62870
   65    63 S   HC   _H40    52     1.09537   111.52560    57.05156
   66    63 S   HC   _H41    53     1.09481   111.13427   -66.15071
   67    57 S   CT   _C21    71     1.53154   111.74100  -101.70748
   68    67 S   HC   _H47    72     1.09455   110.32938    49.17102
   69    67 S   HC   _H48    73     1.09716   110.09018   -66.95125
   70    62 S   CT   _C19    45     1.42558   110.36555    98.92232
   71    70 S   HC   _H42    46     1.09390   107.92743   179.44187
   72    70 S   HC   _H43    47     1.09470   111.41413    60.92898
   73    70 S   HC   _H44    48     1.09530   110.88989   -62.36140
   74    67 S   CM   _C10    74     1.50273   111.39341   173.37972
   75    74 S   HC   _H26    75     1.08921   114.35797    76.97628
   76    74 S   CM   _C12    76     1.34681   127.29494  -104.10870
   77    76 S   CT   _C16    77     1.50530   120.53137  -178.30546
   78    77 S   HC   _H33    78     1.09497   110.20094   121.08855
   79    77 S   HC   _H34    79     1.09511   112.39500     1.04829
   80    77 S   HC   _H35    80     1.09494   110.29353  -119.08820
   81    76 S   CT   _C17    81     1.50363   125.00919     2.34669
   82    81 S   HC   _H36    82     1.09546   110.04238   127.68039
   83    81 S   HC   _H37    83     1.09478   110.09064  -113.02378
   84    81 S   HC   _H38    84     1.09241   113.54960     8.19657
  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  11   5   4   3
  18   2   1   1  15  12   5   4  11   4   5   2   1   1  11   3
  10  11   9   6   7   3   2   1   8   5   4   3   1   4   3   2
   1   1   7   4   3   3   2   1   1  10   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    51    60    61    43    38    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    49    51    60    61    62    43    44    45    46    38    39    40    47    48    50  
   35    36  
   36  
    0  
   41    42    49    51    60    61    52    43    44    45    46    38    39    40    47  
   39    40    47    48    50    53    57    41    43    51    60    61  
   40    47    48    50    60  
   47    48    50    60  
   42    49    51    60    62    52    63    43    44    45    46  
   49    51    52    43  
   44    45    46    49    60  
   45    46  
   46  
    0  
   48    50    53    54    55    56    57    58    59    67    60  
   50    53    57  
   51    60    61    62    70    52    63    64    65    66  
   53    54    55    56    57    58    59    67    68    69    74  
   60    61    62    70    71    72    73    52    63  
   63    64    65    66    60    62  
   54    55    56    57    58    59    67  
   55    56    57  
   56    57  
   57  
   58    59    67    68    69    74    75    76  
   59    67    68    69    74  
   67    68    69    74  
   61    62    70  
   62  
   70    71    72    73  
   64    65    66  
   65    66  
   66  
    0  
   68    69    74    75    76    77    81  
   69    74    75    76  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81    82    83    84  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    60   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    49   465.000  1.376
   49    51   549.000  1.340
   49    52   440.000  1.360
   51    60   320.000  1.462
   51    62   440.000  1.360
   60    61   570.000  1.229
   62    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   52    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    47   317.000  1.510
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    53   317.000  1.510
   50    57   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    60    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    60    51    65.00000  118.62400
   33    60    61    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    47    70.00000  112.02700
   37    41    42    65.00000  137.10300
   37    41    49    70.00000  123.01800
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    49    51    70.00000  117.34000
   41    49    52    80.00000  120.01400
   49    41    42    65.00000  137.10300
   49    51    60    65.00000  118.96000
   49    51    62    80.00000  120.01400
   49    52    63    90.00000  111.18400
   51    60    61    80.00000  123.72100
   51    62    70    90.00000  111.18400
   60    33    37    70.00000  109.06800
   62    51    60    85.00000  116.28000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   52    49    51    80.00000  120.01400
   52    63    64    35.00000  109.50000
   52    63    65    35.00000  109.50000
   52    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   43    37    41    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
   38    33    37    70.00000  112.02700
   38    33    60    63.00000  111.10000
   38    47    48    35.00000  117.00000
   38    47    50    70.00000  124.00000
   40    38    39    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    40    35.00000  109.50000
   47    50    53    70.00000  124.00000
   47    50    57    70.00000  124.00000
   50    47    48    35.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    67    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    53    65.00000  117.92700
   57    67    68    37.50000  110.70000
   57    67    69    37.50000  110.70000
   57    67    74    70.00000  112.02700
   59    57    58    33.00000  107.80000
   67    57    58    37.50000  110.70000
   67    57    59    37.50000  110.70000
   67    74    75    35.00000  117.00000
   67    74    76    70.00000  124.00000
   69    67    68    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    69    35.00000  109.50000
   74    76    77    70.00000  124.00000
   74    76    81    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    60    51   0.65300  1.0 1.0
   29    33    60    51  -0.03850 -1.0 2.0
   29    33    60    51   0.33900  1.0 3.0
   29    33    60    61   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    49   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   33    38    47    48   0.00000  1.0 1.0
   33    38    47    50   0.09850  1.0 1.0
   33    38    47    50   0.15250 -1.0 2.0
   33    38    47    50  -0.50650  1.0 3.0
   37    33    60    51   0.65300  1.0 1.0
   37    33    60    51  -0.03850 -1.0 2.0
   37    33    60    51   0.33900  1.0 3.0
   37    33    60    61   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    47   0.31000  1.0 1.0
   37    33    38    47   0.14700 -1.0 2.0
   37    33    38    47   0.07550  1.0 3.0
   37    41   -49    51   7.00000 -1.0 2.0
   37    41    49    52   7.00000 -1.0 2.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    45   0.00000  1.0 1.0
   41    37    43    46   0.00000  1.0 1.0
   41    49    51    60   7.00000 -1.0 2.0
   41    49    51    62   7.00000 -1.0 2.0
   41    49    52    63  -2.26850  1.0 1.0
   41    49    52    63   3.39050 -1.0 2.0
   42    41    49    51   7.00000 -1.0 2.0
   42    41    49    52   7.00000 -1.0 2.0
   49    51   -60    33  -0.33500  1.0 1.0
   49    51   -60    33   1.06600 -1.0 2.0
   49    51   -60    33  -0.14000  1.0 3.0
   49    51    60    61   1.00000 -1.0 2.0
   49    51    62    70  -2.26850  1.0 1.0
   49    51    62    70   3.39050 -1.0 2.0
   49    52    63    64   0.08050  1.0 3.0
   49    52    63    65   0.08050  1.0 3.0
   49    52    63    66   0.08050  1.0 3.0
   51    49    52    63  -2.26850  1.0 1.0
   51    49    52    63   3.39050 -1.0 2.0
   51    62    70    71   0.08050  1.0 3.0
   51    62    70    72   0.08050  1.0 3.0
   51    62    70    73   0.08050  1.0 3.0
   60    33   -37    41  -0.51250  1.0 1.0
   60    33   -37    41  -0.88800 -1.0 2.0
   60    33   -37    41   0.08850  1.0 3.0
   60    33    37    43   0.17250  1.0 1.0
   60    33    37    43  -0.04100 -1.0 2.0
   60    33    37    43  -0.33850  1.0 3.0
   60    33    38    39  -0.11250  1.0 3.0
   60    33    38    40  -0.11250  1.0 3.0
   60    33    38    47  -0.98800  1.0 1.0
   60    33    38    47   0.48800 -1.0 2.0
   60    33    38    47   0.76800  1.0 3.0
   60    51    62    70   0.15100 -1.0 2.0
   62    51    60    33   0.32450 -1.0 2.0
   62    51    60    33   0.17400  1.0 3.0
   62    51    60    61  -0.11900  1.0 1.0
   62    51    60    61   0.76850 -1.0 2.0
   62    51    60    61   0.14100  1.0 3.0
   52    49    51    60   7.00000 -1.0 2.0
   52    49    51    62   7.00000 -1.0 2.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    49   7.00000 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    60    51   0.65300  1.0 1.0
   38    33    60    51  -0.03850 -1.0 2.0
   38    33    60    51   0.33900  1.0 3.0
   38    33    60    61   0.30150 -1.0 2.0
   38    47    50    53   7.00000 -1.0 2.0
   38    47    50    57   7.00000 -1.0 2.0
   39    38    47    48   0.33100  1.0 3.0
   39    38    47    50   0.00000  1.0 1.0
   40    38    47    48   0.33100  1.0 3.0
   40    38    47    50   0.00000  1.0 1.0
   47    50    53    54   0.00000  1.0 1.0
   47    50    53    55   0.00000  1.0 1.0
   47    50    53    56   0.00000  1.0 1.0
   47    50    57    58   0.00000  1.0 1.0
   47    50    57    59   0.00000  1.0 1.0
   47    50    57    67   0.09850  1.0 1.0
   47    50    57    67   0.15250 -1.0 2.0
   47    50    57    67  -0.50650  1.0 3.0
   48    47    50    53   7.00000 -1.0 2.0
   48    47    50    57   7.00000 -1.0 2.0
   50    57    67    68   0.15000  1.0 3.0
   50    57    67    69   0.15000  1.0 3.0
   50    57    67    74   0.31000  1.0 1.0
   50    57    67    74   0.14700 -1.0 2.0
   50    57    67    74   0.07550  1.0 3.0
   53    50    57    58   0.34800  1.0 3.0
   53    50    57    59   0.34800  1.0 3.0
   53    50    57    67   0.46850  1.0 1.0
   53    50    57    67   0.08550 -1.0 2.0
   53    50    57    67   0.09800  1.0 3.0
   57    50    53    54   0.34800  1.0 3.0
   57    50    53    55   0.34800  1.0 3.0
   57    50    53    56   0.34800  1.0 3.0
   57    67    74    75   0.00000  1.0 1.0
   57    67    74    76   0.09850  1.0 1.0
   57    67    74    76   0.15250 -1.0 2.0
   57    67    74    76  -0.50650  1.0 3.0
   58    57    67    68   0.15000  1.0 3.0
   58    57    67    69   0.15000  1.0 3.0
   58    57    67    74   0.15000  1.0 3.0
   59    57    67    68   0.15000  1.0 3.0
   59    57    67    69   0.15000  1.0 3.0
   59    57    67    74   0.15000  1.0 3.0
   67    74    76    77   7.00000 -1.0 2.0
   67    74    76    81   7.00000 -1.0 2.0
   68    67    74    75   0.33100  1.0 3.0
   68    67    74    76   0.00000  1.0 1.0
   69    67    74    75   0.33100  1.0 3.0
   69    67    74    76   0.00000  1.0 1.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    80   0.00000  1.0 1.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    83   0.00000  1.0 1.0
   74    76    81    84   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   49    42    41    37   1.10000 -1.0 2.0
   41    52    49    51   1.10000 -1.0 2.0
   60    62    51    49   1.10000 -1.0 2.0
   33    51    60    61  10.50000 -1.0 2.0
   38    48    47    50  15.00000 -1.0 2.0
   53    57    50    47  15.00000 -1.0 2.0
   67    75    74    76  15.00000 -1.0 2.0
   77    81    76    74  15.00000 -1.0 2.0
END
