* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    147    218     428
    1     0 S   NP   _N1_     1    28.81207    96.50460   -24.78883
    2     1 S   H    _HN1     2     1.02948    70.45220     8.13885
    3     1 S   H    _H1_     3     1.02827    37.05805   179.04961
    4     1 S   H    _H2_     4     1.02788   114.69238   -93.68639
    5     1 S   CT   _CA1     5     1.50122   129.79534   108.82910
    6     5 S   HC   _HA1     6     1.09574   105.17606    96.58669
    7     5 S   CO3  _C1_     7     1.53777   112.47613   -23.62531
    8     7 S   O2Z  _O11     8     1.26374   115.00237   -42.15248
    9     7 S   O2Z  _O12     9     1.26239   114.94322   136.92312
   10     5 S   CT   _CB1    10     1.53070   107.41089  -145.43713
   11    10 S   HC   HB11    11     1.09836   109.33994   -49.57029
   12    10 S   HC   HB12    12     1.09811   110.46334    67.02970
   13    10 S   CT   _CG1    13     1.53002   112.62744  -170.53199
   14    13 S   HC   HG11    14     1.09576   110.67582   -66.65747
   15    13 S   HC   HG12    15     1.09672   109.74174    52.58276
   16    13 S   C    _CD1    16     1.51808   112.13178   173.03548
   17    16 S   O    _OE1    17     1.22741   123.24845     9.45592
   18    16 S   N    _N2_    18     1.38661   111.74323  -170.60656
   19    18 S   H    _HN2    19     1.01579   118.93168     1.45911
   20    18 S   CT1  _CA2    20     1.46189   123.36140   176.79088
   21    20 S   HC   _HA2    21     1.09738   109.32622     4.80208
   22    20 S   C    _C2_    22     1.53598   108.72640  -110.67527
   23    22 S   O    _O2_    23     1.23070   122.23565  -148.27778
   24    20 S   CT   _CB2    32     1.53272   111.65715   126.81093
   25    24 S   HC   HB21    33     1.09594   110.30675    56.24851
   26    24 S   HC   HB22    34     1.09533   110.19154   175.42924
   27    22 S   N    _N3_    24     1.38311   113.78309    39.18104
   28    27 S   H    _HN3    25     1.01568   119.60829    -3.25949
   29    24 S   S    _SG2    35     1.82542   111.73983   -64.74062
   30    27 S   CT   _CA3    26     1.45286   123.25403   177.17305
   31    30 S   HC   HA31    27     1.09548   107.50735   -64.80642
   32    30 S   HC   HA32    28     1.09556   107.99778    51.64540
   33    29 S   CT   _C20    36     1.82603    98.58083  -179.29279
   34    33 S   HC   _H3_    37     1.09577   108.39809   -59.42999
   35    33 S   HC   _H4_    38     1.09244   107.26766    56.68687
   36    30 S   CO3  _C3_    29     1.52970   114.05251   173.64600
   37    36 S   O2Z  _O31    30     1.26381   116.06903    -0.59314
   38    36 S   O2Z  _O32    31     1.26426   114.41644   179.46698
   39    33 S   CT   _C14    39     1.53405   110.89855   178.64564
   40    39 S   HC   _H32    40     1.09736   112.67893   -34.07004
   41    39 S   CO4  _C8_    41     1.50809   110.75481    86.69527
   42    41 S   O    _O18    42     1.22148   126.05781   -45.51496
   43    41 S   OS   _O20    43     1.35904   110.29424   135.20250
   44    43 S   CT   _C16    44     1.44163   111.14643     4.01176
   45    44 S   HC   _H34    45     1.09575   105.88829    96.18712
   46    44 S   CT   _C11    46     1.54748   105.85826  -145.89764
   47    46 S   HC   _H27    47     1.09787   109.06908    77.83587
   48    46 S   HC   _H28    48     1.09885   109.35752   -35.81549
   49    39 S   CT   _C15    63     1.54300   112.61914  -158.72696
   50    49 S   HC   _H33    64     1.09959   107.84257   -29.64423
   51    46 S   CM   _C6_    49     1.51307   114.30033  -156.71881
   52    51 S   CM   _C4_    50     1.34887   119.88411  -111.32391
   53    52 S   HC   _H23    51     1.08950   118.58776    -6.24689
   54    51 S   CT   _C17    76     1.50522   115.42564    64.91910
   55    54 S   HC   _H35    77     1.09333   111.09623   -73.30455
   56    54 S   HC   _H36    78     1.09268   112.92347   164.86101
   57    54 S   HC   _H37    79     1.09561   109.95982    46.45817
   58    52 S   CT   _C10    52     1.51031   125.66295   158.86802
   59    58 S   HC   _H25    53     1.09358   112.26330    24.70788
   60    58 S   HC   _H26    54     1.09595   109.22203   142.34010
   61    58 S   CT   _C12    55     1.55007   110.12840   -97.23155
   62    61 S   HC   _H29    56     1.09848   109.01099   -73.83256
   63    61 S   HC   _H30    57     1.09654   109.89225   170.71901
   64    61 S   CM   _C7_    58     1.52475   111.84519    47.87637
   65    64 S   CM   _C5_    59     1.34928   118.33785   -87.04207
   66    65 S   HC   _H24    60     1.09097   117.22343    -8.34577
   67    64 S   CT   _C18    72     1.50027   115.59439    87.12361
   68    67 S   HC   _H38    73     1.09414   110.68407   -53.79385
   69    67 S   HC   _H39    74     1.09174   113.33927  -174.76389
   70    67 S   HC   _H40    75     1.09512   109.71495    65.39017
   71    65 S   CT   _C13    61     1.50145   129.15115   164.98873
   72    71 S   HC   _H31    62     1.09445   112.53811    -3.67546
   73    71 S   OS   _O21    65     1.44536   106.19816   116.96030
   74    73 S   CO4  _C9_    66     1.36237   117.97029   -97.97909
   75    74 S   O    _O19    67     1.22283   126.61554     0.39713
   76    74 S   CT   _C19    68     1.49866   109.35695  -179.41550
   77    76 S   HC   _H41    69     1.09291   109.83658   -60.20772
   78    76 S   HC   _H42    70     1.09376   109.36348  -179.21441
   79    76 S   HC   _H43    71     1.09284   109.84842    61.69231
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5   4
   9   4  10  12   5   4   2   1   1   8   5   4  10   4   3   9
   9   4   4   2   1   1   5   2   6   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    71    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    71    72    49    50    73  
   41    42    43    44    71    49    50  
   42    43    44    45    46    71    49    50  
   43    44    49  
   44    45    46    47    48    51    71    49    50  
   45    46    47    48    51    52    65    71    72    49    50    73    54  
   46    47    48    51    71    49    50  
   47    48    51    52    53    58    71    49    50    54    55    56    57  
   48    51    52    49    54  
   51    52    49    54  
   50    73    74    51    64    65    66    71    72  
   73    65    71    72  
   52    53    58    59    60    61    54    55    56    57  
   53    58    59    60    61    62    63    64    54    55    56    57  
   58    59    60    61    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    71    67    68    69    70  
   63    64    65    67  
   64    65    67  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    74    67    68    69    70  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.060000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   317.000  1.510
   71    72   340.000  1.090
   71    49   268.000  1.529
   71    73   320.000  1.410
   49    50   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    71    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.02700
   44    49    71    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  124.00000
   46    51    54    65.00000  117.92700
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    70.00000  112.02700
   58    52    53    35.00000  117.00000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    70.00000  124.00000
   61    64    67    65.00000  117.92700
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    71    70.00000  124.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    35.00000  109.50000
   65    71    49    70.00000  112.02700
   65    71    73    85.00000  110.90400
   71    65    66    35.00000  117.00000
   71    49    50    37.50000  110.70000
   71    73    74    83.00000  116.90000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    71    72    37.50000  110.70000
   73    71    72    35.00000  109.50000
   73    71    49    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   76    74    75    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    71   0.56750  1.0 1.0
   33    39    49    71  -0.07550 -1.0 2.0
   33    39    49    71   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    71   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    71  -0.95700  1.0 1.0
   41    39    49    71  -0.18200 -1.0 2.0
   41    39    49    71   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.61850  1.0 1.0
   43    44    46    51  -0.22750 -1.0 2.0
   43    44    46    51   0.15300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    71   0.62750  1.0 1.0
   43    44    49    71  -0.30950 -1.0 2.0
   43    44    49    71   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.09850  1.0 1.0
   44    46    51    52   0.15250 -1.0 2.0
   44    46    51    52  -0.50650  1.0 3.0
   44    46    51    54   0.46850  1.0 1.0
   44    46    51    54   0.08550 -1.0 2.0
   44    46    51    54   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    71   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    71   0.56750  1.0 1.0
   46    44    49    71  -0.07550 -1.0 2.0
   46    44    49    71   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   7.00000 -1.0 2.0
   46    51    52    58   7.00000 -1.0 2.0
   46    51    54    55   0.34800  1.0 3.0
   46    51    54    56   0.34800  1.0 3.0
   46    51    54    57   0.34800  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    54   0.34800  1.0 3.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.00000  1.0 1.0
   51    52    58    61   0.09850  1.0 1.0
   51    52    58    61   0.15250 -1.0 2.0
   51    52    58    61  -0.50650  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.15000  1.0 3.0
   52    58    61    64   0.31000  1.0 1.0
   52    58    61    64   0.14700 -1.0 2.0
   52    58    61    64   0.07550  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.33100  1.0 3.0
   53    52    58    61   0.00000  1.0 1.0
   58    61    64    65   0.09850  1.0 1.0
   58    61    64    65   0.15250 -1.0 2.0
   58    61    64    65  -0.50650  1.0 3.0
   58    61    64    67   0.46850  1.0 1.0
   58    61    64    67   0.08550 -1.0 2.0
   58    61    64    67   0.09800  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    65    66   7.00000 -1.0 2.0
   61    64    65    71   7.00000 -1.0 2.0
   61    64    67    68   0.34800  1.0 3.0
   61    64    67    69   0.34800  1.0 3.0
   61    64    67    70   0.34800  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    67   0.34800  1.0 3.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    67   0.34800  1.0 3.0
   64    65    71    72   0.00000  1.0 1.0
   64    65    71    49   0.09850  1.0 1.0
   64    65    71    49   0.15250 -1.0 2.0
   64    65    71    49  -0.50650  1.0 3.0
   64    65    71    73   0.39000  1.0 1.0
   64    65    71    73  -0.05800 -1.0 2.0
   64    65    71    73  -0.55150  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    49    39   0.34400  1.0 1.0
   65    71    49    39   0.09450 -1.0 2.0
   65    71    49    39   0.11100  1.0 3.0
   65    71    49    44   0.34400  1.0 1.0
   65    71    49    44   0.09450 -1.0 2.0
   65    71    49    44   0.11100  1.0 3.0
   65    71    49    50   0.15000  1.0 3.0
   65    71    73    74  -0.82050  1.0 1.0
   65    71    73    74   0.00600 -1.0 2.0
   65    71    73    74   0.04400  1.0 3.0
   66    65    71    72   0.33100  1.0 3.0
   66    65    71    49   0.00000  1.0 1.0
   66    65    71    73   0.00000  1.0 1.0
   71    73    74    75   3.00000 -1.0 2.0
   71    73    74    76   1.63150  1.0 1.0
   71    73    74    76   2.92000 -1.0 2.0
   72    71    49    39   0.15000  1.0 3.0
   72    71    49    44   0.15000  1.0 3.0
   72    71    49    50   0.15000  1.0 3.0
   72    71    73    74   0.08050  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.34400  1.0 1.0
   49    44    46    51   0.09450 -1.0 2.0
   49    44    46    51   0.11100  1.0 3.0
   49    71    73    74  -0.25900  1.0 1.0
   49    71    73    74  -0.47000 -1.0 2.0
   49    71    73    74   0.11750  1.0 3.0
   73    71    49    39   0.62750  1.0 1.0
   73    71    49    39  -0.30950 -1.0 2.0
   73    71    49    39   0.27300  1.0 3.0
   73    71    49    44   0.62750  1.0 1.0
   73    71    49    44  -0.30950 -1.0 2.0
   73    71    49    44   0.27300  1.0 3.0
   73    71    49    50   0.23400  1.0 3.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.00000  1.0 1.0
   73    74    76    79   0.00000  1.0 1.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    71   7.00000 -1.0 2.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   61    67    64    65   1.10000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
END
