* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    150    205     421
    1     0 S   NP   _N1_     1    28.76437    96.69983   -23.56981
    2     1 S   H    _HN1     2     1.02788   106.45828   -89.78665
    3     1 S   H    _H1_     3     1.02949    69.26062    14.06650
    4     1 S   H    _H2_     4     1.02829    40.56653   171.74279
    5     1 S   CT   _CA1     5     1.50114   138.57651   111.80825
    6     5 S   HC   _HA1     6     1.09571   105.19224    96.24907
    7     5 S   CO3  _C1_     7     1.53791   112.48047   -24.00615
    8     7 S   O2Z  _O11     8     1.26375   115.00779   -42.16292
    9     7 S   O2Z  _O12     9     1.26240   114.95262   136.97375
   10     5 S   CT   _CB1    10     1.53077   107.42212  -145.73713
   11    10 S   HC   HB11    11     1.09835   109.39804   -49.35864
   12    10 S   HC   HB12    12     1.09812   110.43579    67.25883
   13    10 S   CT   _CG1    13     1.52995   112.60630  -170.31351
   14    13 S   HC   HG11    14     1.09581   110.65803   -65.60996
   15    13 S   HC   HG12    15     1.09668   109.76772    53.63010
   16    13 S   C    _CD1    16     1.51797   112.18471   174.12891
   17    16 S   O    _OE1    17     1.22736   123.26459     8.12040
   18    16 S   N    _N2_    18     1.38644   111.69654  -172.02159
   19    18 S   H    _HN2    19     1.01577   118.97762     1.82553
   20    18 S   CT1  _CA2    20     1.46234   123.42469   177.91287
   21    20 S   HC   _HA2    21     1.09736   109.31867     4.76288
   22    20 S   C    _C2_    22     1.53595   108.79822  -110.77393
   23    22 S   O    _O2_    23     1.23066   122.26354  -148.81853
   24    20 S   CT   _CB2    32     1.53410   111.50338   126.70315
   25    24 S   HC   HB21    33     1.09512   109.69274    56.94021
   26    24 S   HC   HB22    34     1.09398   109.87500   175.87935
   27    22 S   N    _N3_    24     1.38320   113.79352    38.67991
   28    27 S   H    _HN3    25     1.01566   119.60986    -3.27178
   29    24 S   S    _SG2    35     1.82875   111.17060   -64.23557
   30    27 S   CT   _CA3    26     1.45285   123.22383   177.14165
   31    30 S   HC   HA31    27     1.09549   107.51188   -64.72573
   32    30 S   HC   HA32    28     1.09558   107.98999    51.71977
   33    29 S   CT   _C13    36     1.87745   100.54880   173.56550
   34    30 S   CO3  _C3_    29     1.52961   114.06997   173.72846
   35    34 S   O2Z  _O31    30     1.26378   116.07708    -0.26980
   36    34 S   O2Z  _O32    31     1.26427   114.41335   179.78330
   37    33 S   CM   _C7_    37     1.51573   106.99302  -170.50493
   38    33 S   OS   _O23    80     1.42812   109.05949   -49.61737
   39    37 S   CMA  _C6_    38     1.35592   123.75154   -96.05408
   40    39 S   OM   _O20    39     1.26251   128.71351  -171.83908
   41    37 S   OS   _O22    75     1.39579   115.64883    93.91877
   42    38 S   CT   _C19    81     1.42286   116.34235   173.75072
   43    42 S   HC   _H42    82     1.09381   107.73626   172.00856
   44    42 S   HC   _H43    83     1.09303   112.13150    53.25242
   45    42 S   HC   _H44    84     1.09240   111.23492   -70.24928
   46    39 S   CM   _C4_    40     1.49403   118.69113     7.37587
   47    41 S   CT   _C18    76     1.42447   111.93442   -91.58558
   48    47 S   HC   _H39    77     1.09411   107.80408  -164.06114
   49    47 S   HC   _H40    78     1.09365   110.44981    78.50917
   50    47 S   HC   _H41    79     1.09550   112.17245   -45.27156
   51    46 S   CM   _C5_    41     1.35551   121.17857   -20.79687
   52    46 S   CT   _C20    48     1.53829   118.98855   156.98708
   53    52 S   HC   _H45    49     1.09679   109.88313  -147.74240
   54    52 S   HC   _H46    50     1.09641   109.58649   -34.39445
   55    33 S   CO4  _C8_    42     1.53784   105.04868    72.05881
   56    55 S   O    _O21    43     1.23236   121.98701   -92.84279
   57    51 S   CT   _C14    44     1.50399   127.08172  -175.17213
   58    57 S   HC   _H27    45     1.09563   110.44531   126.94250
   59    57 S   HC   _H28    46     1.09185   113.86320     7.75664
   60    57 S   HC   _H29    47     1.09503   110.05608  -113.45070
   61    52 S   CM   _C9_    51     1.50908   113.00456    91.41052
   62    61 S   HC   _H25    52     1.08921   115.22611    35.63852
   63    61 S   CM   _C11    53     1.34803   126.87339  -144.40038
   64    63 S   CT   _C15    54     1.50616   120.33639   179.11089
   65    64 S   HC   _H30    55     1.09491   110.30030   120.05867
   66    64 S   HC   _H31    56     1.09522   112.32537     0.13848
   67    64 S   HC   _H32    57     1.09439   110.52397  -119.88557
   68    63 S   CT   _C22    58     1.51299   124.27626    -3.00960
   69    68 S   HC   _H49    59     1.09842   108.81973  -136.86380
   70    68 S   HC   _H50    60     1.09659   110.69059   -22.15823
   71    68 S   CT   _C21    61     1.53060   112.46930   101.08790
   72    71 S   HC   _H47    62     1.09410   110.59631   -55.13617
   73    71 S   HC   _H48    63     1.09722   110.17556    61.11510
   74    71 S   CM   _C10    64     1.50381   111.19271  -179.46698
   75    74 S   HC   _H26    65     1.08922   114.28543   -79.51814
   76    74 S   CM   _C12    66     1.34667   127.40225   101.51659
   77    76 S   CT   _C16    67     1.50511   120.57713   178.31182
   78    77 S   HC   _H33    68     1.09494   110.29398   119.06512
   79    77 S   HC   _H34    69     1.09512   112.39325    -1.06973
   80    77 S   HC   _H35    70     1.09497   110.20307  -121.11208
   81    76 S   CT   _C17    71     1.50301   124.91343    -2.41103
   82    81 S   HC   _H36    72     1.09473   110.12800   113.09019
   83    81 S   HC   _H37    73     1.09543   110.06968  -127.55090
   84    81 S   HC   _H38    74     1.09196   113.40549    -8.11346
  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
  15   2   1   1  14   9  11   4   6   4   2   1   1  13   3   2
   1   1  10   9   4   3   5   1   3   2   1   1  10   3  11   7
   3   2   1   8   5   4   7   4   3  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    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    51    55    56    41    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    46    51    55    56    57    41    47    38    42    43    44    45  
   35    36  
   36  
    0  
   39    40    46    51    55    56    52    41    47    48    49    50    38    42  
   42    43    44    45    39    41    51    55    56  
   40    46    51    55    57    52    53    54    61    41    47  
   46    51    52    41  
   47    48    49    50    46    55  
   43    44    45    55  
   44    45  
   45  
    0  
   51    55    56    57    58    59    60    52    53    54    61    62    63  
   48    49    50  
   49    50  
   50  
    0  
   55    56    57    58    59    60    52    53    54    61  
   53    54    61    62    63    64    68    55    57  
   54    61    62    63  
   61    62    63  
   56    57    58    59    60  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    69    70    71  
   63    64    68  
   64    65    66    67    68    69    70    71    72    73    74  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    77    81  
   73    74    75    76  
   74    75    76  
   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  -0.316400   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   0.465900   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  -0.585200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   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    55   317.000  1.522
   33    38   320.000  1.410
   37    39   465.000  1.376
   37    41   440.000  1.360
   39    40   745.000  1.250
   39    46   465.000  1.376
   46    51   549.000  1.340
   46    52   317.000  1.510
   51    55   320.000  1.462
   51    57   317.000  1.510
   55    56   570.000  1.229
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    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
   41    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    55    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    41    85.00000  112.85300
   33    55    51    65.00000  118.62400
   33    55    56    80.00000  120.40000
   33    38    42    60.00000  109.50000
   37    39    40    65.00000  137.10300
   37    39    46    70.00000  123.01800
   37    41    47    90.00000  111.18400
   39    46    51    70.00000  117.34000
   39    46    52    70.00000  124.00000
   46    39    40    65.00000  137.10300
   46    51    55    65.00000  118.96000
   46    51    57    70.00000  124.00000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    61    70.00000  110.12100
   51    55    56    80.00000  123.72100
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   55    33    37    70.00000  109.06800
   57    51    55    65.00000  116.34900
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   52    46    51    70.00000  124.00000
   52    61    62    35.00000  117.00000
   52    61    63    70.00000  124.00000
   54    52    53    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    54    35.00000  109.50000
   61    63    64    70.00000  124.00000
   61    63    68    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    67    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    63    64    65.00000  117.92700
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    70.00000  112.02700
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    35.00000  117.00000
   71    74    76    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    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
   41    37    39    80.00000  120.01400
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    85.00000  110.90400
   38    33    55    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   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    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    55    51   0.65300  1.0 1.0
   29    33    55    51  -0.03850 -1.0 2.0
   29    33    55    51   0.33900  1.0 3.0
   29    33    55    56   0.30150 -1.0 2.0
   29    33    38    42   0.14700  1.0 1.0
   29    33    38    42  -1.16150 -1.0 2.0
   29    33    38    42   0.48700  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    41    47   2.00000 -1.0 2.0
   33    38    42    43   0.37050  1.0 3.0
   33    38    42    44   0.37050  1.0 3.0
   33    38    42    45   0.37050  1.0 3.0
   37    33    55    51   0.65300  1.0 1.0
   37    33    55    51  -0.03850 -1.0 2.0
   37    33    55    51   0.33900  1.0 3.0
   37    33    55    56   0.30150 -1.0 2.0
   37    33    38    42  -0.77900  1.0 1.0
   37    33    38    42  -0.36900 -1.0 2.0
   37    33    38    42   0.40400  1.0 3.0
   37    39   -46    51   7.00000 -1.0 2.0
   37    39    46    52   7.00000 -1.0 2.0
   37    41    47    48   0.08050  1.0 3.0
   37    41    47    49   0.08050  1.0 3.0
   37    41    47    50   0.08050  1.0 3.0
   39    37    41    47  -2.26850  1.0 1.0
   39    37    41    47   3.39050 -1.0 2.0
   39    46    51    55   7.00000 -1.0 2.0
   39    46    51    57   7.00000 -1.0 2.0
   39    46    52    53   0.00000  1.0 1.0
   39    46    52    54   0.00000  1.0 1.0
   39    46    52    61  -0.28300  1.0 1.0
   39    46    52    61   0.26700 -1.0 2.0
   39    46    52    61  -0.63300  1.0 3.0
   40    39    46    51   7.00000 -1.0 2.0
   40    39    46    52   7.00000 -1.0 2.0
   46    51   -55    33  -0.33500  1.0 1.0
   46    51   -55    33   1.06600 -1.0 2.0
   46    51   -55    33  -0.14000  1.0 3.0
   46    51    55    56   1.00000 -1.0 2.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    59   0.00000  1.0 1.0
   46    51    57    60   0.00000  1.0 1.0
   46    52    61    62   0.00000  1.0 1.0
   46    52    61    63  -0.28300  1.0 1.0
   46    52    61    63   0.26700 -1.0 2.0
   46    52    61    63  -0.63300  1.0 3.0
   51    46    52    53   0.00000  1.0 1.0
   51    46    52    54   0.00000  1.0 1.0
   51    46    52    61  -0.28300  1.0 1.0
   51    46    52    61   0.26700 -1.0 2.0
   51    46    52    61  -0.63300  1.0 3.0
   55    33   -37    39  -0.51250  1.0 1.0
   55    33   -37    39  -0.88800 -1.0 2.0
   55    33   -37    39   0.08850  1.0 3.0
   55    33    37    41   0.09700  1.0 1.0
   55    33    37    41   0.15600 -1.0 2.0
   55    33    37    41  -0.50800  1.0 3.0
   55    33    38    42  -1.11000  1.0 1.0
   55    33    38    42   0.50250 -1.0 2.0
   55    33    38    42   0.47450  1.0 3.0
   55    51    57    58   0.15000  1.0 3.0
   55    51    57    59   0.15000  1.0 3.0
   55    51    57    60   0.15000  1.0 3.0
   57    51    55    33   0.25700  1.0 1.0
   57    51    55    33   0.66200 -1.0 2.0
   57    51    55    33   0.04450  1.0 3.0
   57    51    55    56  -0.64400  1.0 1.0
   57    51    55    56   0.26850 -1.0 2.0
   52    46    51    55   7.00000 -1.0 2.0
   52    46    51    57   7.00000 -1.0 2.0
   52    61    63    64   7.00000 -1.0 2.0
   52    61    63    68   7.00000 -1.0 2.0
   53    52    61    62   0.33100  1.0 3.0
   53    52    61    63   0.00000  1.0 1.0
   54    52    61    62   0.33100  1.0 3.0
   54    52    61    63   0.00000  1.0 1.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    67   0.00000  1.0 1.0
   61    63    68    69   0.00000  1.0 1.0
   61    63    68    70   0.00000  1.0 1.0
   61    63    68    71   0.09850  1.0 1.0
   61    63    68    71   0.15250 -1.0 2.0
   61    63    68    71  -0.50650  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    68   7.00000 -1.0 2.0
   63    68    71    72   0.15000  1.0 3.0
   63    68    71    73   0.15000  1.0 3.0
   63    68    71    74   0.31000  1.0 1.0
   63    68    71    74   0.14700 -1.0 2.0
   63    68    71    74   0.07550  1.0 3.0
   64    63    68    69   0.34800  1.0 3.0
   64    63    68    70   0.34800  1.0 3.0
   64    63    68    71   0.46850  1.0 1.0
   64    63    68    71   0.08550 -1.0 2.0
   64    63    68    71   0.09800  1.0 3.0
   68    63    64    65   0.34800  1.0 3.0
   68    63    64    66   0.34800  1.0 3.0
   68    63    64    67   0.34800  1.0 3.0
   68    71    74    75   0.00000  1.0 1.0
   68    71    74    76   0.09850  1.0 1.0
   68    71    74    76   0.15250 -1.0 2.0
   68    71    74    76  -0.50650  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   71    74    76    77   7.00000 -1.0 2.0
   71    74    76    81   7.00000 -1.0 2.0
   72    71    74    75   0.33100  1.0 3.0
   72    71    74    76   0.00000  1.0 1.0
   73    71    74    75   0.33100  1.0 3.0
   73    71    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
   41    37    39    40   7.00000 -1.0 2.0
   41    37    39    46   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    55    51   0.65300  1.0 1.0
   38    33    55    51  -0.03850 -1.0 2.0
   38    33    55    51   0.33900  1.0 3.0
   38    33    55    56   0.30150 -1.0 2.0
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    41    37    39   1.10000 -1.0 2.0
   46    40    39    37   1.10000 -1.0 2.0
   39    52    46    51   1.10000 -1.0 2.0
   55    57    51    46   1.10000 -1.0 2.0
   33    51    55    56  10.50000 -1.0 2.0
   52    62    61    63  15.00000 -1.0 2.0
   64    68    63    61  15.00000 -1.0 2.0
   71    75    74    76  15.00000 -1.0 2.0
   77    81    76    74  15.00000 -1.0 2.0
END
