* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    154    224     440
    1     0 S   NP   _N1_     1    28.85988    97.75861   -20.15269
    2     1 S   H    _HN1     2     1.02950    51.04677   136.79051
    3     1 S   H    _H1_     3     1.02792    94.09915  -113.63227
    4     1 S   H    _H2_     4     1.02854    65.48528    -5.44165
    5     1 S   CT   _CA1     5     1.50516   152.57352    83.74018
    6     5 S   HC   _HA1     6     1.09688   104.56352   104.56040
    7     5 S   CO3  _C1_     7     1.54399   110.75678   -11.33503
    8     7 S   O2Z  _O11     8     1.26002   116.69410  -114.52390
    9     7 S   O2Z  _O12     9     1.26582   113.72265    64.13149
   10     5 S   CT   _CB1    10     1.53098   106.99341  -139.56723
   11    10 S   HC   HB11    11     1.09835   109.73140   -43.77603
   12    10 S   HC   HB12    12     1.09774   110.37072    72.87092
   13    10 S   CT   _CG1    13     1.53025   112.36773  -164.41232
   14    13 S   HC   HG11    14     1.09406   110.80752   -58.59787
   15    13 S   HC   HG12    15     1.09610   109.72191    60.35346
   16    13 S   C    _CD1    16     1.51756   112.17867   179.80719
   17    16 S   O    _OE1    17     1.22797   123.12276   -11.17308
   18    16 S   N    _N2_    18     1.38585   112.00390   170.18550
   19    18 S   H    _HN2    19     1.01673   119.26662    -0.25944
   20    18 S   CT1  _CA2    20     1.45985   122.57725   177.21807
   21    20 S   HC   _HA2    21     1.09740   108.48951    27.43494
   22    20 S   C    _C2_    22     1.53213   110.08781   -88.81937
   23    22 S   O    _O2_    23     1.23168   120.93413   159.74089
   24    20 S   CT   _CB2    32     1.53173   112.12519   150.00570
   25    24 S   HC   HB21    33     1.09301   110.58084    58.57715
   26    24 S   HC   HB22    34     1.09584   109.94633   175.88230
   27    22 S   N    _N3_    24     1.38122   114.76150   -26.88174
   28    27 S   H    _HN3    25     1.01578   119.55045     4.18568
   29    24 S   S    _SG2    35     1.82873   111.51998   -65.70478
   30    27 S   CT   _CA3    26     1.45266   123.09806  -177.04501
   31    30 S   HC   HA31    27     1.09554   108.24930   -47.62896
   32    30 S   HC   HA32    28     1.09554   107.26347    68.80334
   33    29 S   CT   _C21    36     1.83993   100.49901   126.39395
   34    33 S   HC   _H3_    37     1.09512   105.83644    50.13580
   35    30 S   CO3  _C3_    29     1.52906   114.15989  -169.58093
   36    35 S   O2Z  _O31    30     1.26336   116.08062     8.45619
   37    35 S   O2Z  _O32    31     1.26437   114.43669  -171.79331
   38    33 S   CM   _C8_    38     1.53659   111.50249   -71.54843
   39    33 S   CT   _C18    81     1.53006   108.59036   163.60162
   40    39 S   HC   _H42    82     1.09548   112.75526    59.27058
   41    39 S   HC   _H43    83     1.09638   110.91819   -61.53756
   42    39 S   HC   _H44    84     1.09484   110.46322   179.97202
   43    38 S   CMA  _C9_    39     1.36898   122.04956   116.10759
   44    43 S   OM   _O20    40     1.26930   124.88283     1.79657
   45    38 S   CT   _C17    77     1.52098   115.36938   -65.17515
   46    45 S   HC   _H39    78     1.09427   110.23476   -64.60810
   47    45 S   HC   _H40    79     1.09323   113.97869   175.71321
   48    45 S   HC   _H41    80     1.09351   111.23568    55.61499
   49    43 S   OS   _O23    41     1.41778   111.31677  -177.52251
   50    49 S   CT   _C15    42     1.43558   118.31253  -174.41317
   51    50 S   HC   _H35    43     1.09595   111.33351    42.93753
   52    50 S   CT   _C12    44     1.52662   110.54106   -83.66361
   53    52 S   HC   _H30    45     1.09680   110.26718   166.65163
   54    52 S   HC   _H31    46     1.09328   114.10174    43.92503
   55    52 S   CT   _C13    47     1.52028   102.63590   -75.84069
   56    55 S   HC   _H32    48     1.09594   108.75080    82.16168
   57    55 S   HC   _H33    49     1.09392   111.70113  -158.58562
   58    55 S   NT   _N19    50     1.46626   104.50830   -38.52957
   59    58 S   CT   _C11    51     1.47533   113.64512   138.88656
   60    59 S   HC   _H28    52     1.09448   109.41668   112.04158
   61    59 S   HC   _H29    53     1.09439   113.57604    -9.23267
   62    59 S   CM   _C4_    54     1.49185   105.64930  -129.02894
   63    62 S   HC   _H26    55     1.08053   123.62741  -172.53431
   64    62 S   CM   _C5_    56     1.33694   111.10282     6.43818
   65    50 S   CT   _C14    57     1.53962   109.91179   165.33287
   66    65 S   HC   _H34    58     1.09776   109.19091  -157.24613
   67    64 S   CT   _C19    59     1.48869   126.71266  -175.56059
   68    67 S   HC   _H45    60     1.09561   109.55321   115.88137
   69    67 S   HC   _H46    61     1.09568   110.62035    -1.86320
   70    67 S   OS   _O24    62     1.43519   110.28352  -119.78140
   71    70 S   CO4  _C10    63     1.35829   117.58372  -121.92174
   72    71 S   O    _O21    64     1.22173   127.07208     3.11960
   73    71 S   CM   _C7_    65     1.48500   108.77911  -175.69379
   74    73 S   CM   _C6_    66     1.34529   120.29220  -134.90473
   75    74 S   HC   _H27    67     1.08904   117.83414  -178.53140
   76    73 S   CT   _C20    72     1.50103   117.34084    46.26136
   77    76 S   HC   _H47    73     1.09444   110.94250   -62.44730
   78    76 S   HC   _H48    74     1.09499   111.73729   176.99508
   79    74 S   CT   _C16    68     1.49571   128.26340     3.28348
   80    79 S   HC   _H36    69     1.09403   109.93802  -108.79200
   81    79 S   HC   _H37    70     1.09493   109.39750   132.74973
   82    79 S   HC   _H38    71     1.09232   113.53870    13.28210
   83    76 S   OH   _O22    75     1.42236   109.45734    57.67837
   84    83 S   HO   _H50    76     0.97230   106.92662  -177.70279
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  14   8  10   6   5  10   4   3   9   8   5   4   8   3   7
   5   1   6   3   2   5   9   3  11   9   5   5   3   2   3   2
   1   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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    65    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    64    65    66  
   51    52    53    54    55    56    57    58    59    62    64    65    66    67  
   52    53    54    55    58    64    65    66  
   53    54    55    56    57    58    59    64    65    66  
   54    55    56    57    58    65  
   55    56    57    58    65  
   56    57    58    59    60    61    62    64    65    66  
   57    58    59    65  
   58    59    65  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    69    70  
   64    65    67  
   65    66    67    68    69    70    71  
   66    67    68    69    70  
   67  
   68    69    70    71    72    73  
   69    70    71  
   70    71  
   71    72    73    74    76  
   72    73    74    75    79    76    77    78    83  
   73    74    76  
   74    75    79    80    81    82    76    77    78    83    84  
   75    79    80    81    82    76    77    78    83  
   79    80    81    82    76  
   77    78    83    84    79  
   78    83    84  
   83    84  
   80    81    82  
   81    82  
   82  
    0  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.107500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    65   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   382.000  1.448
   58    59   382.000  1.448
   58    65   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    67   317.000  1.510
   65    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   320.000  1.410
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    76   317.000  1.510
   74    75   340.000  1.080
   74    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   320.000  1.410
   83    84   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    65    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    65    58    56.20000  109.47000
   50    65    64    70.00000  112.02700
   50    65    66    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    56.20000  109.47000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    51.80000  107.20000
   55    58    65    51.80000  107.20000
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    75.00000  110.70900
   58    65    64    75.00000  110.70900
   58    65    66    35.00000  109.50000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    67    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    85.00000  110.90400
   65    50    51    37.50000  110.70000
   65    50    52    58.35000  112.70000
   65    58    59    51.80000  107.20000
   67    64    65    65.00000  117.92700
   67    70    71    83.00000  116.90000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    90.00000  111.29400
   71    73    74    65.00000  118.96000
   71    73    76    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    75    35.00000  120.00000
   73    74    79    70.00000  124.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    83    90.00000  110.39200
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   79    74    75    35.00000  117.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   76    73    74    70.00000  124.00000
   76    83    84    55.00000  108.50000
   78    76    77    33.00000  107.80000
   83    76    77    35.00000  109.50000
   83    76    78    35.00000  109.50000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    65  -0.46850  1.0 1.0
   43    49    50    65   0.09300 -1.0 2.0
   43    49    50    65  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    65    58   1.74050  1.0 1.0
   49    50    65    64   0.61850  1.0 1.0
   49    50    65    64  -0.22750 -1.0 2.0
   49    50    65    64   0.15300  1.0 3.0
   49    50    65    66   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.53400  1.0 1.0
   50    52   -55    58  -0.09950 -1.0 2.0
   50    52   -55    58   0.05700  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    65    58   0.15000  1.0 3.0
   51    50    65    64   0.15000  1.0 3.0
   51    50    65    66   0.15000  1.0 3.0
   52    50   -65    58   1.53400  1.0 1.0
   52    50   -65    58  -0.09950 -1.0 2.0
   52    50   -65    58   0.05700  1.0 3.0
   52    50    65    64   0.34400  1.0 1.0
   52    50    65    64   0.09450 -1.0 2.0
   52    50    65    64   0.11100  1.0 3.0
   52    50    65    66   0.15000  1.0 3.0
   52    55    58    59   0.23450  1.0 1.0
   52    55    58    59   0.02050 -1.0 2.0
   52    55    58    59   0.25250  1.0 3.0
   52    55   -58    65   0.23450  1.0 1.0
   52    55   -58    65   0.02050 -1.0 2.0
   52    55   -58    65   0.25250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    59    60   0.28000  1.0 3.0
   55    58    59    61   0.28000  1.0 3.0
   55    58    59    62  -0.60800  1.0 1.0
   55    58    59    62   1.10050 -1.0 2.0
   55    58    59    62   0.47000  1.0 3.0
   55    58   -65    50   0.23450  1.0 1.0
   55    58   -65    50   0.02050 -1.0 2.0
   55    58   -65    50   0.25250  1.0 3.0
   55    58    65    64  -0.60800  1.0 1.0
   55    58    65    64   1.10050 -1.0 2.0
   55    58    65    64   0.47000  1.0 3.0
   55    58    65    66   0.28000  1.0 3.0
   56    55    58    59   0.28000  1.0 3.0
   56    55    58    65   0.28000  1.0 3.0
   57    55    58    59   0.28000  1.0 3.0
   57    55    58    65   0.28000  1.0 3.0
   58    59    62    63   0.00000  1.0 1.0
   58    59   -62    64   0.90200  1.0 1.0
   58    59   -62    64   0.57900 -1.0 2.0
   58    59   -62    64  -0.62100  1.0 3.0
   59    58    65    50   0.23450  1.0 1.0
   59    58    65    50   0.02050 -1.0 2.0
   59    58    65    50   0.25250  1.0 3.0
   59    58   -65    64  -0.60800  1.0 1.0
   59    58   -65    64   1.10050 -1.0 2.0
   59    58   -65    64   0.47000  1.0 3.0
   59    58    65    66   0.28000  1.0 3.0
   59    62   -64    65   7.00000 -1.0 2.0
   59    62    64    67   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    65    50   0.09850  1.0 1.0
   62    64    65    50   0.15250 -1.0 2.0
   62    64    65    50  -0.50650  1.0 3.0
   62    64   -65    58   0.90200  1.0 1.0
   62    64   -65    58   0.57900 -1.0 2.0
   62    64   -65    58  -0.62100  1.0 3.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    67    68   0.00000  1.0 1.0
   62    64    67    69   0.00000  1.0 1.0
   62    64    67    70   0.39000  1.0 1.0
   62    64    67    70  -0.05800 -1.0 2.0
   62    64    67    70  -0.55150  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    67   7.00000 -1.0 2.0
   64    67    70    71  -0.82050  1.0 1.0
   64    67    70    71   0.00600 -1.0 2.0
   64    67    70    71   0.04400  1.0 3.0
   65    50    52    53   0.15000  1.0 3.0
   65    50    52    54   0.15000  1.0 3.0
   65    50   -52    55   0.56750  1.0 1.0
   65    50   -52    55  -0.07550 -1.0 2.0
   65    50   -52    55   0.20000  1.0 3.0
   65    58    59    60   0.28000  1.0 3.0
   65    58    59    61   0.28000  1.0 3.0
   65    58   -59    62  -0.60800  1.0 1.0
   65    58   -59    62   1.10050 -1.0 2.0
   65    58   -59    62   0.47000  1.0 3.0
   65    64    67    68   0.34800  1.0 3.0
   65    64    67    69   0.34800  1.0 3.0
   65    64    67    70   0.09700  1.0 1.0
   65    64    67    70   0.15600 -1.0 2.0
   65    64    67    70  -0.50800  1.0 3.0
   67    64    65    50   0.46850  1.0 1.0
   67    64    65    50   0.08550 -1.0 2.0
   67    64    65    50   0.09800  1.0 3.0
   67    64    65    58   0.52100  1.0 1.0
   67    64    65    58  -0.20350 -1.0 2.0
   67    64    65    58   0.29750  1.0 3.0
   67    64    65    66   0.34800  1.0 3.0
   67    70    71    72   3.00000 -1.0 2.0
   67    70    71    73   2.00000 -1.0 2.0
   68    67    70    71   0.08050  1.0 3.0
   69    67    70    71   0.08050  1.0 3.0
   70    71    73    74  -0.56150  1.0 1.0
   70    71    73    74   2.19150 -1.0 2.0
   70    71    73    76  -0.15000  1.0 1.0
   70    71    73    76   0.89550 -1.0 2.0
   70    71    73    76  -0.06900  1.0 3.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    79   7.00000 -1.0 2.0
   71    73    76    77   0.15000  1.0 3.0
   71    73    76    78   0.15000  1.0 3.0
   71    73    76    83   0.09700  1.0 1.0
   71    73    76    83   0.15600 -1.0 2.0
   71    73    76    83  -0.50800  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    76  -0.64400  1.0 1.0
   72    71    73    76   0.26850 -1.0 2.0
   73    74    79    80   0.00000  1.0 1.0
   73    74    79    81   0.00000  1.0 1.0
   73    74    79    82   0.00000  1.0 1.0
   73    76    83    84  -0.07800  1.0 1.0
   73    76    83    84  -0.21500 -1.0 2.0
   73    76    83    84  -0.03150  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   74    73    76    83   0.67800  1.0 1.0
   74    73    76    83   0.47050 -1.0 2.0
   74    73    76    83  -0.62500  1.0 3.0
   75    74    79    80   0.33100  1.0 3.0
   75    74    79    81   0.33100  1.0 3.0
   75    74    79    82   0.33100  1.0 3.0
   76    73    74    75   7.00000 -1.0 2.0
   76    73    74    79   7.00000 -1.0 2.0
   77    76    83    84   0.19450  1.0 3.0
   78    76    83    84   0.19450  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   59    63    62    64   1.10000 -1.0 2.0
   65    67    64    62   1.10000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   71    76    73    74  15.00000 -1.0 2.0
   79    75    74    73  15.00000 -1.0 2.0
END
