* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    143    202     407
    1     0 S   NP   _N1_     1    27.96728    95.55849   -22.80350
    2     1 S   H    _HN1     2     1.02776   100.78665  -106.20275
    3     1 S   H    _H1_     3     1.02958    82.07711     1.06735
    4     1 S   H    _H2_     4     1.02835    30.27813   146.69404
    5     1 S   CT   _CA1     5     1.50124   137.48905   112.70440
    6     5 S   HC   _HA1     6     1.09574   105.22460    76.70750
    7     5 S   CO3  _C1_     7     1.53793   112.37812   -43.50205
    8     7 S   O2Z  _O11     8     1.26365   114.99883   -43.68732
    9     7 S   O2Z  _O12     9     1.26237   114.93489   135.46052
   10     5 S   CT   _CB1    10     1.53102   107.42920  -165.36531
   11    10 S   HC   HB11    11     1.09826   109.35506   -50.50404
   12    10 S   HC   HB12    12     1.09817   110.41595    66.06155
   13    10 S   CT   _CG1    13     1.53011   112.65454  -171.57694
   14    13 S   HC   HG11    14     1.09596   110.47772   -63.97141
   15    13 S   HC   HG12    15     1.09656   109.93071    55.22219
   16    13 S   C    _CD1    16     1.51837   112.34789   175.61193
   17    16 S   O    _OE1    17     1.22746   123.30195    -0.40056
   18    16 S   N    _N2_    18     1.38556   111.67236   179.58883
   19    18 S   H    _HN2    19     1.01555   118.99284     4.75909
   20    18 S   CT1  _CA2    20     1.45809   122.92443   178.20681
   21    20 S   HC   _HA2    21     1.09754   108.93642    23.07457
   22    20 S   C    _C2_    22     1.52923   107.32933   -93.75829
   23    22 S   O    _O2_    23     1.22951   123.12749   -25.52674
   24    20 S   CT   _CB2    32     1.53371   112.12970   146.23094
   25    24 S   HC   HB21    33     1.09427   109.76554    51.48741
   26    24 S   HC   HB22    34     1.09191   109.35982   170.28455
   27    22 S   N    _N3_    24     1.38527   112.39289   157.18066
   28    27 S   H    _HN3    25     1.01665   120.28634    -2.19089
   29    24 S   S    _SG2    35     1.82700   110.38661   -69.34619
   30    27 S   CT   _CA3    26     1.45320   122.63983   178.28674
   31    30 S   HC   HA31    27     1.09566   107.84077   -54.89018
   32    30 S   HC   HA32    28     1.09556   107.60842    61.48365
   33    29 S   CT   _C10    36     1.88115   102.71768  -174.03915
   34    30 S   CO3  _C3_    29     1.52915   114.22109  -176.82646
   35    34 S   O2Z  _O31    30     1.26344   116.06069    -1.31284
   36    34 S   O2Z  _O32    31     1.26434   114.41097   178.69464
   37    33 S   CM   _C5_    37     1.53109   105.58425   176.07988
   38    33 S   CT   _C11    54     1.55945   110.33979   -60.39465
   39    38 S   HC   _H6_    55     1.09170   109.81712    57.13014
   40    38 S   HC   _H7_    56     1.09789   110.31989   -57.95141
   41    37 S   CMA  _C6_    38     1.36518   124.03303   -99.03021
   42    41 S   OM   _O36    39     1.27091   126.98623  -173.95285
   43    37 S   CT   _C4_    50     1.52522   115.85692    80.34905
   44    43 S   HC   _H3_    51     1.09479   110.85511   -44.78144
   45    43 S   HC   _H4_    52     1.09483   113.09432  -163.34530
   46    43 S   HC   _H5_    53     1.09287   111.20237    75.95528
   47    38 S   CM   _C12    57     1.51446   114.76949  -179.12240
   48    47 S   HC   _H8_    58     1.08858   114.42800    62.65518
   49    41 S   CMA  _C7_    40     1.53090   118.81354     6.64907
   50    49 S   OM   _O35    41     1.27176   114.85972   162.46275
   51    47 S   CM   _C13    59     1.34858   128.62679  -118.20286
   52    49 S   CM   _C8_    42     1.35437   119.08427   -16.58755
   53    51 S   CT   _C14    60     1.50457   125.31667     0.19383
   54    53 S   HC   _H9_    61     1.09415   110.41591   114.91897
   55    53 S   HC   _H10    62     1.09528   110.06586  -125.57658
   56    53 S   HC   _H11    63     1.09112   113.88477    -5.72813
   57    51 S   CT   _C15    64     1.51919   119.70198  -177.82318
   58    57 S   HC   _H12    65     1.09800   108.22753   128.66174
   59    57 S   HC   _H13    66     1.09842   110.64964    13.92246
   60    33 S   CO4  _C9_    43     1.52959   107.20323    58.46262
   61    60 S   O    _O33    44     1.23300   122.47257   -93.45621
   62    52 S   OS   _O34    45     1.39064   121.21521  -176.00139
   63    57 S   CT   _C16    67     1.53424   114.47124  -109.95287
   64    63 S   HC   _H14    68     1.09276   110.38549   -56.96784
   65    63 S   HC   _H15    69     1.09779   107.98121  -171.76174
   66    62 S   CT   _C21    46     1.42599   111.25216  -112.65502
   67    66 S   HC   _H23    47     1.09403   107.84224   169.59495
   68    66 S   HC   _H24    48     1.09570   111.41305    51.14643
   69    66 S   HC   _H25    49     1.09392   111.19512   -72.39026
   70    63 S   CM   _C17    70     1.50403   112.81747    70.12160
   71    70 S   HC   _H16    71     1.08990   113.94220    61.56781
   72    70 S   CM   _C18    72     1.34656   128.29827  -120.20566
   73    72 S   CT   _C19    73     1.50634   120.25122  -177.75110
   74    73 S   HC   _H17    74     1.09499   110.06391   115.80098
   75    73 S   HC   _H18    75     1.09503   112.48481    -4.40780
   76    73 S   HC   _H19    76     1.09329   110.50276  -124.65765
   77    72 S   CT   _C20    77     1.50208   125.53218     1.99606
   78    77 S   HC   _H20    78     1.09505   110.11673   124.88056
   79    77 S   HC   _H21    79     1.09497   110.01513  -115.94438
   80    77 S   HC   _H22    80     1.09132   113.70592     4.90129
  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  10   4   5   2   1   1  11   3
   6   3  11   7   7   3   2   1   8   5   4   3   1   4   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    52    60    61    43    38    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    49    52    60    61    62    43    44    45    46    38    39    40    47    48    51  
   35    36  
   36  
    0  
   41    42    49    50    52    60    61    43    44    45    46    38    39    40    47  
   39    40    47    48    51    53    57    41    43    52    60    61  
   40    47    48    51    60  
   47    48    51    60  
   42    49    50    52    60    62    43    44    45    46  
   49    50    52    43  
   44    45    46    49    60  
   45    46  
   46  
    0  
   48    51    53    54    55    56    57    58    59    63    60  
   51    53    57  
   50    52    60    61    62    66  
   52    60    62  
   53    54    55    56    57    58    59    63    64    65    70  
   60    61    62    66    67    68    69  
   54    55    56    57    58    59    63  
   55    56    57  
   56    57  
   57  
   58    59    63    64    65    70    71    72  
   59    63    64    65    70  
   63    64    65    70  
   61    62    66  
   62  
   66    67    68    69  
   64    65    70    71    72    73    77  
   65    70    71    72  
   70    71    72  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   0.375100   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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    50   745.000  1.250
   49    52   465.000  1.376
   52    60   320.000  1.462
   52    62   440.000  1.360
   60    61   570.000  1.229
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    51   549.000  1.340
   51    53   317.000  1.510
   51    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    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    52    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  117.34000
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    49    50    65.00000  137.10300
   41    49    52    70.00000  117.34000
   49    41    42    65.00000  137.10300
   49    52    60    60.00000  125.92000
   49    52    62    80.00000  120.01400
   52    49    50    65.00000  137.10300
   52    60    61    80.00000  123.72100
   52    62    66    90.00000  111.18400
   60    33    37    70.00000  109.06800
   62    52    60    85.00000  116.28000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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    51    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    51    53    70.00000  124.00000
   47    51    57    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    63    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    51    53    65.00000  117.92700
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    70    70.00000  112.02700
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    70    71    35.00000  117.00000
   63    70    72    70.00000  124.00000
   65    63    64    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    65    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    52   0.65300  1.0 1.0
   29    33    60    52  -0.03850 -1.0 2.0
   29    33    60    52   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    51   0.09850  1.0 1.0
   33    38    47    51   0.15250 -1.0 2.0
   33    38    47    51  -0.50650  1.0 3.0
   37    33    60    52   0.65300  1.0 1.0
   37    33    60    52  -0.03850 -1.0 2.0
   37    33    60    52   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    50   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    52    60   7.00000 -1.0 2.0
   41    49    52    62   7.00000 -1.0 2.0
   42    41    49    50   7.00000 -1.0 2.0
   42    41    49    52   7.00000 -1.0 2.0
   49    52   -60    33  -0.33500  1.0 1.0
   49    52   -60    33   1.06600 -1.0 2.0
   49    52   -60    33  -0.14000  1.0 3.0
   49    52    60    61   1.00000 -1.0 2.0
   49    52    62    66  -2.26850  1.0 1.0
   49    52    62    66   3.39050 -1.0 2.0
   50    49    52    60   7.00000 -1.0 2.0
   50    49    52    62   7.00000 -1.0 2.0
   52    62    66    67   0.08050  1.0 3.0
   52    62    66    68   0.08050  1.0 3.0
   52    62    66    69   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    52    62    66   0.15100 -1.0 2.0
   62    52    60    33   0.32450 -1.0 2.0
   62    52    60    33   0.17400  1.0 3.0
   62    52    60    61  -0.11900  1.0 1.0
   62    52    60    61   0.76850 -1.0 2.0
   62    52    60    61   0.14100  1.0 3.0
   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    52   0.65300  1.0 1.0
   38    33    60    52  -0.03850 -1.0 2.0
   38    33    60    52   0.33900  1.0 3.0
   38    33    60    61   0.30150 -1.0 2.0
   38    47    51    53   7.00000 -1.0 2.0
   38    47    51    57   7.00000 -1.0 2.0
   39    38    47    48   0.33100  1.0 3.0
   39    38    47    51   0.00000  1.0 1.0
   40    38    47    48   0.33100  1.0 3.0
   40    38    47    51   0.00000  1.0 1.0
   47    51    53    54   0.00000  1.0 1.0
   47    51    53    55   0.00000  1.0 1.0
   47    51    53    56   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59   0.00000  1.0 1.0
   47    51    57    63   0.09850  1.0 1.0
   47    51    57    63   0.15250 -1.0 2.0
   47    51    57    63  -0.50650  1.0 3.0
   48    47    51    53   7.00000 -1.0 2.0
   48    47    51    57   7.00000 -1.0 2.0
   51    57    63    64   0.15000  1.0 3.0
   51    57    63    65   0.15000  1.0 3.0
   51    57    63    70   0.31000  1.0 1.0
   51    57    63    70   0.14700 -1.0 2.0
   51    57    63    70   0.07550  1.0 3.0
   53    51    57    58   0.34800  1.0 3.0
   53    51    57    59   0.34800  1.0 3.0
   53    51    57    63   0.46850  1.0 1.0
   53    51    57    63   0.08550 -1.0 2.0
   53    51    57    63   0.09800  1.0 3.0
   57    51    53    54   0.34800  1.0 3.0
   57    51    53    55   0.34800  1.0 3.0
   57    51    53    56   0.34800  1.0 3.0
   57    63    70    71   0.00000  1.0 1.0
   57    63    70    72   0.09850  1.0 1.0
   57    63    70    72   0.15250 -1.0 2.0
   57    63    70    72  -0.50650  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    70   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    70   0.15000  1.0 3.0
   63    70    72    73   7.00000 -1.0 2.0
   63    70    72    77   7.00000 -1.0 2.0
   64    63    70    71   0.33100  1.0 3.0
   64    63    70    72   0.00000  1.0 1.0
   65    63    70    71   0.33100  1.0 3.0
   65    63    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  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
   35    30    34    36  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    50    49    52   1.10000 -1.0 2.0
   60    62    52    49   1.10000 -1.0 2.0
   33    52    60    61  10.50000 -1.0 2.0
   38    48    47    51  15.00000 -1.0 2.0
   53    57    51    47  15.00000 -1.0 2.0
   63    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
