* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    140    210     405
    1     0 S   NP   _N1_     1    28.68090    93.60611   -23.49973
    2     1 S   H    _HN1     2     1.02832    24.02643  -172.05478
    3     1 S   H    _H1_     3     1.02768   106.72021   -75.37067
    4     1 S   H    _H2_     4     1.02973    85.18114    32.30784
    5     1 S   CT   _CA1     5     1.50149   129.68323   144.81988
    6     5 S   HC   _HA1     6     1.09579   105.21324    76.42850
    7     5 S   CO3  _C1_     7     1.53771   112.42151   -43.65536
    8     7 S   O2Z  _O11     8     1.26351   115.01711   -42.26714
    9     7 S   O2Z  _O12     9     1.26243   114.91998   136.82491
   10     5 S   CT   _CB1    10     1.53066   107.36775  -165.76879
   11    10 S   HC   HB11    11     1.09836   109.18814   -51.68013
   12    10 S   HC   HB12    12     1.09825   110.41088    64.77203
   13    10 S   CT   _CG1    13     1.53037   112.82375  -172.90151
   14    13 S   HC   HG11    14     1.09590   110.39732   -64.99325
   15    13 S   HC   HG12    15     1.09643   110.07275    54.31350
   16    13 S   C    _CD1    16     1.51753   112.16732   174.47008
   17    16 S   O    _OE1    17     1.22714   123.14658    -4.84889
   18    16 S   N    _N2_    18     1.38549   111.87925   175.55415
   19    18 S   H    _HN2    19     1.01618   119.20908    -0.24228
   20    18 S   CT1  _CA2    20     1.45798   122.77359   179.33412
   21    20 S   HC   _HA2    21     1.09390   110.02518   -13.70302
   22    20 S   C    _C2_    22     1.52679   104.80693  -130.41595
   23    22 S   O    _O2_    23     1.22942   122.50361   -86.33030
   24    20 S   CT   _CB2    32     1.53310   111.74977   109.92366
   25    24 S   HC   HB21    33     1.09678   109.77536    54.47167
   26    24 S   HC   HB22    34     1.09482   110.83804   171.23102
   27    22 S   N    _N3_    24     1.38532   112.68829    89.41254
   28    27 S   H    _HN3    25     1.01516   119.71167     2.44401
   29    24 S   S    _SG2    35     1.83186   114.73041   -64.49141
   30    27 S   CT   _CA3    26     1.45422   123.12234   179.37568
   31    30 S   HC   HA31    27     1.09521   109.24913    27.51887
   32    30 S   HC   HA32    28     1.09502   107.20750   144.48119
   33    29 S   CT   _C12    36     1.84722   101.38746   -66.99021
   34    33 S   HC   _H3_    37     1.09271   105.40408    53.85020
   35    30 S   CO3  _C3_    29     1.52883   112.80430   -95.86762
   36    35 S   O2Z  _O31    30     1.26411   115.27161   -52.82432
   37    35 S   O2Z  _O32    31     1.26319   115.13189   127.87280
   38    33 S   CA   _C7_    38     1.51904   111.90206   -65.54721
   39    33 S   CM   _C13    58     1.51565   108.56828   169.36873
   40    39 S   HC   _H13    59     1.09178   115.91510    35.78715
   41    38 S   CA   _C6_    39     1.40726   119.32331   108.48861
   42    41 S   HA   _H7_    40     1.08635   118.35160     0.86931
   43    39 S   CMA  _C14    60     1.35604   127.28763  -142.02399
   44    43 S   OM   _O37    61     1.26116   127.16661   176.92993
   45    41 S   CA   _C5_    41     1.39706   120.94892  -178.85039
   46    43 S   NE   _N4_    62     1.39407   120.56025    -4.41921
   47    46 S   H    _H14    63     1.01312   115.00821    -6.63291
   48    45 S   CA   _C10    42     1.39892   118.69255    -1.33472
   49    45 S   OS   _O33    53     1.37059   124.99380   179.18651
   50    46 S   CT   _C15    64     1.45758   129.34573   168.30230
   51    50 S   HC   _H15    65     1.09657   110.06071    57.02214
   52    50 S   HC   _H16    66     1.09629   109.61311   -61.46445
   53    48 S   CA   _C9_    43     1.40084   121.62067     1.17935
   54    48 S   OH   _O34    51     1.37374   118.65016  -179.25192
   55    54 S   HO   _H9_    52     0.97360   107.29961  -179.96574
   56    49 S   CT   _C4_    54     1.42329   116.76188   -12.89065
   57    56 S   HC   _H4_    55     1.09420   107.77777  -172.09168
   58    56 S   HC   _H5_    56     1.09425   110.86916    70.28225
   59    56 S   HC   _H6_    57     1.09511   111.29086   -54.18005
   60    50 S   CT   _C16    67     1.53413   110.94900   176.43767
   61    60 S   HC   _H17    68     1.09730   109.30751  -177.51793
   62    60 S   HC   _H18    69     1.09775   109.09492   -61.94336
   63    38 S   CA   _C8_    44     1.40686   121.59790   -70.80566
   64    63 S   HA   _H8_    45     1.08614   118.45063    -0.20174
   65    53 S   OS   _O35    46     1.37111   115.57127   179.57664
   66    60 S   CA   _C17    70     1.51087   114.07098    61.12983
   67    65 S   CT   _C11    47     1.42284   116.93712   178.64463
   68    67 S   HC   _H10    48     1.09428   107.72954  -179.01008
   69    67 S   HC   _H11    49     1.09496   111.09861    63.29365
   70    67 S   HC   _H12    50     1.09504   111.17657   -61.26054
   71    66 S   CA   _C18    71     1.40265   120.15755  -114.46377
   72    71 S   HA   _H19    72     1.08716   120.40655    -0.66234
   73    71 S   CA   _C19    73     1.39462   120.56924   178.82697
   74    73 S   HA   _H20    74     1.08623   119.80579  -179.73166
   75    73 S   CA   _C20    75     1.39101   119.59085    -0.02798
   76    75 S   CA   _C21    76     1.39250   120.76016     0.63273
   77    76 S   HA   _H21    77     1.08574   120.99721  -179.97202
   78    75 S   OH   _O36    80     1.36614   118.15889  -179.03429
   79    78 S   HO   _H23    81     0.97217   108.53791   179.82529
   80    66 S   CA   _C22    78     1.40220   120.83610    65.05035
   81    80 S   HA   _H22    79     1.08711   120.30638     0.71024
  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   8   5   4   3
  13   6   2   1   1  12   8   3   9   4   7   3  11   8   4   9
   6   8   5   4   9   3   1   3   2   1   1   9   4   3   3   1
   4   9   3   2   1   1   8   4   7   3   6   5   3   2   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    63    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    63    64    39    40    43    44    46  
   38    41    63    39    40    43  
   36    37  
   37  
    0  
   41    42    45    48    53    63    64    65    49    39    40    43  
   40    43    44    46    47    50    41    63  
   43    44    46  
   42    45    48    53    63    64    54    49    56  
   45    48    63    49  
   44    46    47    50    51    52    60  
   46    47    50  
   48    53    63    65    54    55    49    56    57    58    59  
   47    50    51    52    60    61    62    66  
   50    51    52    60  
   53    63    64    65    67    54    55    49    56  
   56    57    58    59    53    54  
   51    52    60    61    62    66    71    80  
   52    60    61    62    66  
   60    61    62    66  
   63    64    65    67    68    69    70    54    55  
   55    63    65  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    62    66    71    72    73    76    80    81  
   62    66    71    80  
   66    71    80  
   64    65    67  
   65  
   67    68    69    70  
   71    72    73    74    75    76    77    80    81  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    80    81    78  
   73    74    75    80  
   74    75    76    77    80    78    79  
   75    76    78  
   76    77    80    81    78    79  
   77    80    81    78    79  
   80    81    78  
   79    80  
    0  
   81  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    63   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    48   469.000  1.400
   45    49   450.000  1.364
   48    53   469.000  1.400
   48    54   450.000  1.364
   53    63   469.000  1.400
   53    65   450.000  1.364
   63    64   367.000  1.080
   65    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   553.000  0.945
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   415.000  1.382
   46    47   434.000  1.010
   46    50   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.510
   66    71   469.000  1.400
   66    80   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   78    79   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    63    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    63    53    63.00000  120.00000
   38    63    64    35.00000  120.00000
   41    45    48    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    53    63.00000  120.00000
   45    48    54    70.00000  120.00000
   45    49    56    75.00000  111.00000
   48    53    63    63.00000  120.00000
   48    53    65    70.00000  120.00000
   48    54    55    35.00000  113.00000
   53    63    64    35.00000  120.00000
   53    65    67    75.00000  111.00000
   63    38    41    63.00000  120.00000
   65    53    63    70.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    48    53    70.00000  120.00000
   49    45    48    70.00000  120.00000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    46    47    50.00000  121.48000
   43    46    50    50.00000  121.00000
   46    43    44   105.00000  113.92000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    60    80.00000  111.61500
   50    46    47    35.00000  112.50000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    66    70.00000  112.17500
   52    50    51    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    52    37.50000  110.70000
   60    66    71    70.00000  120.00000
   60    66    80    70.00000  120.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    71    72    35.00000  120.00000
   66    71    73    63.00000  120.00000
   66    80    76    63.00000  120.00000
   66    80    81    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    78    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    80    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    80    81    35.00000  120.00000
   80    66    71    63.00000  120.00000
   80    76    77    35.00000  120.00000
   78    75    76    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    63  -0.16000  1.0 1.0
   29    33    38    63  -0.03200 -1.0 2.0
   29    33    38    63   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    63    53   3.62500 -1.0 2.0
   33    38    63    64   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    63   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    48   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   41    38    63    53   3.62500 -1.0 2.0
   41    38    63    64   3.62500 -1.0 2.0
   41    45   -48    53   3.62500 -1.0 2.0
   41    45    48    54   3.62500 -1.0 2.0
   41    45    49    56   1.63200 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    48    53    63   3.62500 -1.0 2.0
   45    48    53    65   3.62500 -1.0 2.0
   45    48    54    55   0.84100 -1.0 2.0
   45    49    56    57   0.08050  1.0 3.0
   45    49    56    58   0.08050  1.0 3.0
   45    49    56    59   0.08050  1.0 3.0
   48    45    49    56   1.63200 -1.0 2.0
   48    53   -63    38   3.62500 -1.0 2.0
   48    53    63    64   3.62500 -1.0 2.0
   48    53    65    67   1.63200 -1.0 2.0
   53    48    54    55   0.84100 -1.0 2.0
   53    65    67    68   0.08050  1.0 3.0
   53    65    67    69   0.08050  1.0 3.0
   53    65    67    70   0.08050  1.0 3.0
   63    38    41    42   3.62500 -1.0 2.0
   63    38   -41    45   3.62500 -1.0 2.0
   63    53    65    67   1.63200 -1.0 2.0
   65    53    63    38   3.62500 -1.0 2.0
   65    53    63    64   3.62500 -1.0 2.0
   54    48    53    63   3.62500 -1.0 2.0
   54    48    53    65   3.62500 -1.0 2.0
   49    45    48    53   3.62500 -1.0 2.0
   49    45    48    54   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    63   0.18050 -1.0 2.0
   39    43    46    47   1.00000 -1.0 2.0
   39    43    46    50  -0.54700  1.0 1.0
   39    43    46    50   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    52   0.00000  1.0 1.0
   43    46    50    60   0.25450  1.0 1.0
   43    46    50    60  -0.61700 -1.0 2.0
   43    46    50    60  -0.23550  1.0 3.0
   44    43    46    47   1.00000 -1.0 2.0
   44    43    46    50   1.00000 -1.0 2.0
   46    50    60    61   0.22950  1.0 3.0
   46    50    60    62   0.22950  1.0 3.0
   46    50    60    66   0.08550  1.0 1.0
   46    50    60    66   1.07500 -1.0 2.0
   46    50    60    66  -0.10950  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    50    60   0.00000  1.0 1.0
   50    60    66    71   0.04150 -1.0 2.0
   50    60    66    80   0.04150 -1.0 2.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    66   0.43200  1.0 3.0
   52    50    60    61   0.15000  1.0 3.0
   52    50    60    62   0.15000  1.0 3.0
   52    50    60    66   0.43200  1.0 3.0
   60    66    71    72   3.62500 -1.0 2.0
   60    66    71    73   3.62500 -1.0 2.0
   60    66    80    76   3.62500 -1.0 2.0
   60    66    80    81   3.62500 -1.0 2.0
   61    60    66    71   0.00000  1.0 1.0
   61    60    66    80   0.00000  1.0 1.0
   62    60    66    71   0.00000  1.0 1.0
   62    60    66    80   0.00000  1.0 1.0
   66    71    73    74   3.62500 -1.0 2.0
   66    71    73    75   3.62500 -1.0 2.0
   71    66    80    76   3.62500 -1.0 2.0
   71    66    80    81   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    78   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    78    79   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76   -80    66   3.62500 -1.0 2.0
   75    76    80    81   3.62500 -1.0 2.0
   76    75    78    79   0.84100 -1.0 2.0
   77    76    80    66   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   80    66    71    72   3.62500 -1.0 2.0
   80    66   -71    73   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    80   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    63    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    49    45    41   4.00000 -1.0 2.0
   53    54    48    45   4.00000 -1.0 2.0
   63    65    53    48   4.00000 -1.0 2.0
   53    64    63    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   46    44    43    39  15.00000 -1.0 2.0
   47    43    46    50   1.00000 -1.0 2.0
   71    80    66    60   4.00000 -1.0 2.0
   73    72    71    66   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   80    77    76    75   1.10000 -1.0 2.0
   76    81    80    66   1.10000 -1.0 2.0
END
