* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    149    229     443
    1     0 S   NP   _N1_     1    28.03096    96.45713   -22.70948
    2     1 S   H    _HN1     2     1.02777   103.50084  -112.37751
    3     1 S   H    _H1_     3     1.02957    77.39836    -6.24410
    4     1 S   H    _H2_     4     1.02835    33.54406   145.52328
    5     1 S   CT   _CA1     5     1.50143   137.67121   100.29858
    6     5 S   HC   _HA1     6     1.09576   105.19189    83.98660
    7     5 S   CO3  _C1_     7     1.53770   112.33607   -36.15596
    8     7 S   O2Z  _O11     8     1.26367   114.99025   -44.12138
    9     7 S   O2Z  _O12     9     1.26232   114.92556   134.85816
   10     5 S   CT   _CB1    10     1.53086   107.40752  -158.14328
   11    10 S   HC   HB11    11     1.09830   109.27651   -50.46955
   12    10 S   HC   HB12    12     1.09814   110.45384    66.06700
   13    10 S   CT   _CG1    13     1.53034   112.70640  -171.53067
   14    13 S   HC   HG11    14     1.09591   110.52137   -65.50104
   15    13 S   HC   HG12    15     1.09660   109.88723    53.71288
   16    13 S   C    _CD1    16     1.51856   112.25018   174.04231
   17    16 S   O    _OE1    17     1.22766   123.26099     2.38072
   18    16 S   N    _N2_    18     1.38570   111.78592  -177.56812
   19    18 S   H    _HN2    19     1.01558   119.08609     3.76931
   20    18 S   CT1  _CA2    20     1.45795   122.77733   177.41911
   21    20 S   HC   _HA2    21     1.09750   108.86855    25.55699
   22    20 S   C    _C2_    22     1.52986   107.19273   -91.29939
   23    22 S   O    _O2_    23     1.22967   123.14145   -24.70735
   24    20 S   CT   _CB2    32     1.53272   112.42366   148.69992
   25    24 S   HC   HB21    33     1.09568   110.11485    53.62094
   26    24 S   HC   HB22    34     1.09330   109.66120   172.21661
   27    22 S   N    _N3_    24     1.38522   112.47331   157.96608
   28    27 S   H    _HN3    25     1.01661   120.31919    -2.43124
   29    24 S   S    _SG2    35     1.82722   110.95248   -66.54895
   30    27 S   CT   _CA3    26     1.45342   122.55430   178.39270
   31    30 S   HC   HA31    27     1.09565   107.97138   -52.46832
   32    30 S   HC   HA32    28     1.09557   107.49094    63.91102
   33    29 S   CT   _C13    36     1.88655   101.96937  -161.04809
   34    30 S   CO3  _C3_    29     1.52892   114.25841  -174.43916
   35    34 S   O2Z  _O31    30     1.26336   116.04067     0.80284
   36    34 S   O2Z  _O32    31     1.26433   114.41424  -179.26591
   37    33 S   CT   _C12    37     1.57134   111.20682    66.67108
   38    37 S   HC   _H17    38     1.09942   109.13202   -89.36518
   39    37 S   HC   _H18    39     1.09378   108.69354   158.46651
   40    33 S   CT   _C14    59     1.62253   111.78873  -167.92610
   41    40 S   OM   _O37    60     1.32934   108.81247    51.17144
   42    40 S   HC   _H5_    61     1.10186   102.82639   175.18582
   43    33 S   CT   _C20    78     1.55962   108.20197   -50.21864
   44    43 S   HC   _H21    79     1.09578   112.49284   -53.99571
   45    43 S   HC   _H22    80     1.09686   110.42702  -174.08951
   46    43 S   HC   _H23    81     1.09512   112.47990    67.43447
   47    37 S   CT   _C11    40     1.53786   117.91109    30.98096
   48    47 S   HC   _H15    41     1.09858   108.77646   -83.67040
   49    47 S   HC   _H16    42     1.09157   111.89470    31.00509
   50    47 S   CT   _C10    43     1.53843   114.27646   156.26011
   51    50 S   HC   _H4_    44     1.09830   107.98144    54.55452
   52    50 S   CM   _C8_    45     1.51836   113.25419   -69.31236
   53    50 S   OS   _O38    75     1.43711   106.91464   171.11067
   54    52 S   CT   _C7_    46     1.51389   117.57872   -58.66428
   55    54 S   HC   _H11    47     1.09896   107.84001  -107.65024
   56    54 S   HC   _H12    48     1.09587   110.91397     4.58223
   57    52 S   CM   _C9_    72     1.34401   120.70127   123.26431
   58    57 S   HC   _H13    73     1.08522   121.38503    -1.07865
   59    57 S   HC   _H14    74     1.08482   121.57848   178.46456
   60    53 S   OH   _O39    76     1.45689   106.15867  -155.40520
   61    60 S   HO   _H24    77     0.97271    95.93879  -101.86348
   62    54 S   CT   _C6_    49     1.54201   116.68133   129.46928
   63    62 S   HC   _H3_    50     1.09890   108.71983    71.91312
   64    62 S   CT   _C16    51     1.55322   114.43327   -48.76189
   65    64 S   HC   _H7_    52     1.09198   109.19764    55.67157
   66    62 S   OS   _O34    65     1.44999   107.38846  -170.30777
   67    64 S   CM   _C17    53     1.49745   109.65949   175.67052
   68    66 S   CO4  _C5_    66     1.36175   117.83298   -85.77821
   69    68 S   O    _O33    67     1.22305   126.47151     0.98913
   70    67 S   CO4  _C19    54     1.47351   108.59671    96.11194
   71    70 S   O    _O35    55     1.21719   127.20720  -167.35689
   72    67 S   CM   _C18    62     1.33520   128.63682   -85.87193
   73    72 S   HC   _H19    63     1.08474   120.74169     1.08191
   74    72 S   HC   _H20    64     1.08495   121.61462  -178.80745
   75    68 S   CT   _C4_    68     1.49829   109.40765  -179.07953
   76    75 S   HC   _H8_    69     1.09287   109.81881   -61.62199
   77    75 S   HC   _H9_    70     1.09376   109.37189   179.27288
   78    75 S   HC   _H10    71     1.09300   109.81208    60.25969
   79    70 S   OS   _O36    56     1.36238   106.32798    10.23870
   80    64 S   CT   _C15    57     1.54452   116.37244   -72.23309
   81    80 S   HC   _H6_    58     1.09187   111.98276    28.33249
  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  13   5   4   3
  18   2   1   1  17   7   6  15   6   5   5   2   1   1   9   5
   4  12   5  12   4  13   6   5   3   1   1   1   1  13   6  12
   7   8   8   5   4   7   3   4   1   1   3   2   1   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    80    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    64    79    80    81    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    80    40    41    42    53    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    62    64    65    67    70    79    80    81  
   42    43    64    79    80    81  
   43    64    79    80    81  
   44    45    46    47    80  
   45    46  
   46  
    0  
   48    49    50    51    52    54    57    53    60  
   49    50    51    52    53  
   50    51    52    53  
   51    52    54    55    56    62    57    58    59    53    60    61  
   52    54    57    53    60  
   54    55    56    62    63    64    66    57    58    59    53    60  
   60    61    54    57  
   55    56    62    63    64    65    67    80    66    68    57    58    59  
   56    62    63    64    66    57  
   62    63    64    66    57  
   58    59    62  
   59  
    0  
   61  
    0  
   63    64    65    67    70    79    80    81    72    66    68    69    75  
   64    65    67    80    66    68  
   65    67    70    71    79    80    81    72    73    74    66    68  
   67    70    79    80    81    72    66  
   68    69    75    76    77    78    67    80  
   70    71    79    80    81    72    73    74  
   69    75    76    77    78  
   75    76    77    78  
   71    79    80    81    72    73    74  
   79    80    72  
   73    74    79    80  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81  
   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   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   320.000  1.410
   52    54   317.000  1.510
   52    57   549.000  1.340
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    67   317.000  1.510
   64    80   268.000  1.529
   67    70   320.000  1.462
   67    72   549.000  1.340
   70    71   570.000  1.229
   70    79   214.000  1.327
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   72    73   340.000  1.080
   72    74   340.000  1.080
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   53    60   295.000  1.451
   60    61   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    80    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    58.35000  112.70000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    70.00000  112.02700
   47    50    53    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    54    65.00000  117.92700
   50    52    57    70.00000  124.00000
   50    53    60   125.00000  106.88800
   52    50    51    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    62    70.00000  112.02700
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   54    62    63    37.50000  110.70000
   54    62    64    58.35000  112.70000
   54    62    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    67    70.00000  112.02700
   62    64    80    58.35000  112.70000
   62    66    68    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    67    70    65.00000  116.34900
   64    67    72    70.00000  124.00000
   64    80    79    50.00000  109.50000
   64    80    81    37.50000  110.70000
   64    80    40    58.35000  112.70000
   67    64    65    35.00000  109.50000
   67    70    71    80.00000  123.72100
   67    70    79    90.00000  111.29400
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   70    79    80    83.00000  116.90000
   79    70    71    83.00000  123.40000
   79    80    81    35.00000  109.50000
   79    80    40    50.00000  109.50000
   80    64    65    37.50000  110.70000
   80    64    67    70.00000  112.02700
   80    40    41    50.00000  109.50000
   80    40    42    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    80    81    37.50000  110.70000
   42    40    41    45.00000  125.66300
   72    67    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    75    81.00000  111.40000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    78    35.00000  109.50000
   75    68    69    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   57    52    54    70.00000  124.00000
   59    57    58    35.00000  117.00000
   53    50    51    35.00000  109.50000
   53    50    52    85.00000  110.90400
   53    60    61    90.00000  100.86400
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    80   0.44750  1.0 1.0
   29    33    40    80  -0.17800 -1.0 2.0
   29    33    40    80   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.56750  1.0 1.0
   33    37    47    50  -0.07550 -1.0 2.0
   33    37    47    50   0.20000  1.0 3.0
   37    33    40    80   0.56750  1.0 1.0
   37    33    40    80  -0.07550 -1.0 2.0
   37    33    40    80   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.15000  1.0 3.0
   37    47    50    52   0.34400  1.0 1.0
   37    47    50    52   0.09450 -1.0 2.0
   37    47    50    52   0.11100  1.0 3.0
   37    47    50    53   0.62750  1.0 1.0
   37    47    50    53  -0.30950 -1.0 2.0
   37    47    50    53   0.27300  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    54   0.46850  1.0 1.0
   47    50    52    54   0.08550 -1.0 2.0
   47    50    52    54   0.09800  1.0 3.0
   47    50    52    57   0.09850  1.0 1.0
   47    50    52    57   0.15250 -1.0 2.0
   47    50    52    57  -0.50650  1.0 3.0
   47    50    53    60   0.37500  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.23400  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.23400  1.0 3.0
   50    52    54    55   0.34800  1.0 3.0
   50    52    54    56   0.34800  1.0 3.0
   50    52    54    62   0.46850  1.0 1.0
   50    52    54    62   0.08550 -1.0 2.0
   50    52    54    62   0.09800  1.0 3.0
   50    52    57    58   7.00000 -1.0 2.0
   50    52    57    59   7.00000 -1.0 2.0
   50    53    60    61  -2.50000 -1.0 2.0
   51    50    52    54   0.34800  1.0 3.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    53    60   0.37500  1.0 3.0
   52    50    53    60   0.37500  1.0 3.0
   52    54    62    63   0.15000  1.0 3.0
   52    54    62    64   0.34400  1.0 1.0
   52    54    62    64   0.09450 -1.0 2.0
   52    54    62    64   0.11100  1.0 3.0
   52    54    62    66   0.61850  1.0 1.0
   52    54    62    66  -0.22750 -1.0 2.0
   52    54    62    66   0.15300  1.0 3.0
   54    52    57    58   7.00000 -1.0 2.0
   54    52    57    59   7.00000 -1.0 2.0
   54    62    64    65   0.15000  1.0 3.0
   54    62    64    67   0.34400  1.0 1.0
   54    62    64    67   0.09450 -1.0 2.0
   54    62    64    67   0.11100  1.0 3.0
   54    62    64    80   0.56750  1.0 1.0
   54    62    64    80  -0.07550 -1.0 2.0
   54    62    64    80   0.20000  1.0 3.0
   54    62    66    68  -0.25900  1.0 1.0
   54    62    66    68  -0.47000 -1.0 2.0
   54    62    66    68   0.11750  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    66   0.23400  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   56    54    62    66   0.23400  1.0 3.0
   62    64    67    70   0.09700  1.0 1.0
   62    64    67    70   0.15600 -1.0 2.0
   62    64    67    70  -0.50800  1.0 3.0
   62    64    67    72   0.09850  1.0 1.0
   62    64    67    72   0.15250 -1.0 2.0
   62    64    67    72  -0.50650  1.0 3.0
   62    64    80    79   0.62750  1.0 1.0
   62    64    80    79  -0.30950 -1.0 2.0
   62    64    80    79   0.27300  1.0 3.0
   62    64    80    81   0.15000  1.0 3.0
   62    64    80    40   0.56750  1.0 1.0
   62    64    80    40  -0.07550 -1.0 2.0
   62    64    80    40   0.20000  1.0 3.0
   62    66    68    69   3.00000 -1.0 2.0
   62    66    68    75   1.63150  1.0 1.0
   62    66    68    75   2.92000 -1.0 2.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    64    80   0.15000  1.0 3.0
   63    62    66    68   0.08050  1.0 3.0
   64    62    66    68  -0.25900  1.0 1.0
   64    62    66    68  -0.47000 -1.0 2.0
   64    62    66    68   0.11750  1.0 3.0
   64    67    70    71  -0.64400  1.0 1.0
   64    67    70    71   0.26850 -1.0 2.0
   64    67   -70    79  -0.15000  1.0 1.0
   64    67   -70    79   0.89550 -1.0 2.0
   64    67   -70    79  -0.06900  1.0 3.0
   64    67    72    73   7.00000 -1.0 2.0
   64    67    72    74   7.00000 -1.0 2.0
   64    80    40    33   0.56750  1.0 1.0
   64    80    40    33  -0.07550 -1.0 2.0
   64    80    40    33   0.20000  1.0 3.0
   64    80    40    41   0.62750  1.0 1.0
   64    80    40    41  -0.30950 -1.0 2.0
   64    80    40    41   0.27300  1.0 3.0
   64    80    40    42   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    72   0.00000  1.0 1.0
   65    64    80    79   0.23400  1.0 3.0
   65    64    80    81   0.15000  1.0 3.0
   65    64    80    40   0.15000  1.0 3.0
   67    64   -80    79   0.61850  1.0 1.0
   67    64   -80    79  -0.22750 -1.0 2.0
   67    64   -80    79   0.15300  1.0 3.0
   67    64    80    81   0.15000  1.0 3.0
   67    64    80    40   0.34400  1.0 1.0
   67    64    80    40   0.09450 -1.0 2.0
   67    64    80    40   0.11100  1.0 3.0
   67    70   -79    80   2.00000 -1.0 2.0
   70    67    72    73   7.00000 -1.0 2.0
   70    67    72    74   7.00000 -1.0 2.0
   70    79   -80    64  -0.25900  1.0 1.0
   70    79   -80    64  -0.47000 -1.0 2.0
   70    79   -80    64   0.11750  1.0 3.0
   70    79    80    81   0.08050  1.0 3.0
   70    79    80    40  -0.25900  1.0 1.0
   70    79    80    40  -0.47000 -1.0 2.0
   70    79    80    40   0.11750  1.0 3.0
   71    70    79    80   3.00000 -1.0 2.0
   79    80    40    33   0.62750  1.0 1.0
   79    80    40    33  -0.30950 -1.0 2.0
   79    80    40    33   0.27300  1.0 3.0
   79    80    40    41   1.11900  1.0 1.0
   79    80    40    41  -1.16350 -1.0 2.0
   79    80    40    41  -0.34150  1.0 3.0
   79    80    40    42   0.23400  1.0 3.0
   80    64   -67    70   0.09700  1.0 1.0
   80    64   -67    70   0.15600 -1.0 2.0
   80    64   -67    70  -0.50800  1.0 3.0
   80    64    67    72   0.09850  1.0 1.0
   80    64    67    72   0.15250 -1.0 2.0
   80    64    67    72  -0.50650  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.23400  1.0 3.0
   81    80    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   72    67    70    71   1.00000 -1.0 2.0
   72    67    70    79  -0.56150  1.0 1.0
   72    67    70    79   2.19150 -1.0 2.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    67   0.61850  1.0 1.0
   66    62    64    67  -0.22750 -1.0 2.0
   66    62    64    67   0.15300  1.0 3.0
   66    62    64    80   0.62750  1.0 1.0
   66    62    64    80  -0.30950 -1.0 2.0
   66    62    64    80   0.27300  1.0 3.0
   66    68    75    76   0.00000  1.0 1.0
   66    68    75    77   0.00000  1.0 1.0
   66    68    75    78   0.00000  1.0 1.0
   69    68    75    76   0.00000  1.0 1.0
   69    68    75    77   0.00000  1.0 1.0
   69    68    75    78   0.00000  1.0 1.0
   57    52    54    55   0.00000  1.0 1.0
   57    52    54    56   0.00000  1.0 1.0
   57    52    54    62   0.09850  1.0 1.0
   57    52    54    62   0.15250 -1.0 2.0
   57    52    54    62  -0.50650  1.0 3.0
   53    50    52    54   0.09700  1.0 1.0
   53    50    52    54   0.15600 -1.0 2.0
   53    50    52    54  -0.50800  1.0 3.0
   53    50    52    57   0.39000  1.0 1.0
   53    50    52    57  -0.05800 -1.0 2.0
   53    50    52    57  -0.55150  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    80   0.56750  1.0 1.0
   43    33    40    80  -0.07550 -1.0 2.0
   43    33    40    80   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   50    54    52    57   1.10000 -1.0 2.0
   64    70    67    72   1.10000 -1.0 2.0
   67    79    70    71  10.50000 -1.0 2.0
   73    74    72    67   1.10000 -1.0 2.0
   66    75    68    69  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
END
