* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    153    240     445
    1     0 S   NP   _N1_     1    29.02865    92.19635   -20.70782
    2     1 S   H    _HN1     2     1.02786    90.42966   -67.54277
    3     1 S   H    _H1_     3     1.02965   106.60707    41.63365
    4     1 S   H    _H2_     4     1.02844    19.08625   136.24740
    5     1 S   CT   _CA1     5     1.50071   126.53013   174.12680
    6     5 S   HC   _HA1     6     1.09584   105.32551    47.18362
    7     5 S   CO3  _C1_     7     1.53812   112.09102   -72.96542
    8     7 S   O2Z  _O11     8     1.26331   115.08668   -54.06925
    9     7 S   O2Z  _O12     9     1.26222   114.86220   125.23145
   10     5 S   CT   _CB1    10     1.53074   107.37384   164.81732
   11    10 S   HC   HB11    11     1.09817   109.38666   -53.05185
   12    10 S   HC   HB12    12     1.09799   110.41774    63.38457
   13    10 S   CT   _CG1    13     1.52972   112.59853  -174.27327
   14    13 S   HC   HG11    14     1.09576   110.24980   -58.47968
   15    13 S   HC   HG12    15     1.09606   110.29603    60.62967
   16    13 S   C    _CD1    16     1.51756   111.90783  -179.24282
   17    16 S   O    _OE1    17     1.22733   123.11925   -18.54067
   18    16 S   N    _N2_    18     1.38530   111.78256   162.26973
   19    18 S   H    _HN2    19     1.01596   119.02540     1.83035
   20    18 S   CT1  _CA2    20     1.46214   123.47871  -176.13320
   21    20 S   HC   _HA2    21     1.09727   109.36382   -19.14980
   22    20 S   C    _C2_    22     1.53383   108.10415  -134.94429
   23    22 S   O    _O2_    23     1.22995   122.35212  -145.24684
   24    20 S   CT   _CB2    32     1.53505   111.14239   103.10775
   25    24 S   HC   HB21    33     1.09422   109.55521    53.67828
   26    24 S   HC   HB22    34     1.09526   110.53796   171.98144
   27    22 S   N    _N3_    24     1.38540   113.25814    42.11683
   28    27 S   H    _HN3    25     1.01539   118.91523    -0.48092
   29    24 S   S    _SG2    35     1.82839   111.77931   -69.06484
   30    27 S   CT   _CA3    26     1.45447   123.39955   175.05684
   31    30 S   HC   HA31    27     1.09527   109.18097    25.42237
   32    30 S   HC   HA32    28     1.09494   107.13381   142.42777
   33    29 S   S    _S29    36     2.05503   102.98066   152.84502
   34    30 S   CO3  _C3_    29     1.52934   113.15898   -98.00863
   35    34 S   O2Z  _O31    30     1.26400   115.43045   -43.63367
   36    34 S   O2Z  _O32    31     1.26357   114.96387   137.30357
   37    33 S   CT   _C15    37     1.86112   106.03963   -98.14102
   38    37 S   C    _C10    38     1.52721   109.31425   -62.81521
   39    38 S   O    _O21    39     1.23491   120.09792    82.31363
   40    37 S   CT   _C12    69     1.55376   112.25906    62.92709
   41    40 S   HC   _H32    70     1.09102   114.28020   -39.80416
   42    38 S   N    _N20    40     1.40171   116.22693   -95.74925
   43    40 S   OH   _O23    71     1.43391   110.10359  -160.11732
   44    43 S   HO   _H47    72     0.97442   108.50590    70.02517
   45    42 S   CT   _C16    41     1.49206   123.15010    13.35253
   46    45 S   SM   _S28    42     1.85074   112.55966    85.36282
   47    42 S   CT   _C18    79     1.46432   117.41933  -176.33729
   48    47 S   HC   _H37    80     1.09320   109.23472   123.35859
   49    47 S   HC   _H38    81     1.09330   111.93200     4.27471
   50    47 S   HC   _H39    82     1.09332   109.53094  -115.86317
   51    45 S   C    _C11    43     1.54273   111.11294   -37.67633
   52    51 S   O    _O22    44     1.23394   122.44664  -160.38700
   53    45 S   CT   _C17    75     1.55165   111.73126  -156.00637
   54    53 S   HC   _H34    76     1.09712   112.98911   -62.19261
   55    53 S   HC   _H35    77     1.09814   112.74796   176.64007
   56    53 S   HC   _H36    78     1.09763   110.22443    57.77183
   57    37 S   N    _N19    45     1.46361   110.20268   176.16141
   58    57 S   CP1  _C13    46     1.45378   111.85684   -91.23139
   59    58 S   HC   _H33    47     1.09721   109.34508   112.24602
   60    58 S   CT   _C14    48     1.55666   105.75920    -9.54506
   61    58 S   NE   _N18    57     1.45485   111.37713  -125.33742
   62    61 S   H    _H46    58     1.00961   123.43652   -74.90861
   63    60 S   CA   _C5_    49     1.50126   101.54087  -134.79475
   64    60 S   OH   _O24    73     1.41975   110.27112   106.20040
   65    64 S   HO   _H48    74     0.97258   108.61600    81.27644
   66    63 S   CA   _C4_    50     1.38609   128.89372  -173.01453
   67    66 S   HA   _H31    51     1.08539   120.44636     1.69674
   68    66 S   CA   _C9_    52     1.39731   118.08186  -177.63288
   69    68 S   Cl   CL30    53     1.72762   118.34383   179.86012
   70    68 S   CA   _C8_    54     1.40805   120.63652     0.14127
   71    70 S   CA   _C7_    55     1.40264   120.21858     2.41184
   72    70 S   OS   _O26    64     1.37324   119.53700   178.53473
   73    63 S   CA   _C6_    56     1.39940   109.18935     9.43394
   74    71 S   OS   _O25    59     1.36837   121.19361   178.13072
   75    72 S   CT   _C20    65     1.42816   110.41027   101.37186
   76    75 S   HC   _H43    66     1.09409   107.75313  -172.46808
   77    75 S   HC   _H44    67     1.09471   111.22889    69.41698
   78    75 S   HC   _H45    68     1.09583   111.51576   -54.12620
   79    74 S   CT   _C19    60     1.42817   110.02061   -88.76323
   80    79 S   HC   _H40    61     1.09406   107.78133  -178.73607
   81    79 S   HC   _H41    62     1.09536   111.29374    63.02398
   82    79 S   HC   _H42    63     1.09566   111.31923   -60.47362
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  18  16   5  15   7  13   6   1  13   8   5   2
   1   1  10   3   4   2   1   1   8  10   6  10   8   3  10   3
   1   7   4   7   3   9   8   6   2   4   3   2   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    57    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    51    57    58    60    40    41    43  
   35    36  
   36  
    0  
   38    39    42    45    51    52    57    58    59    60    63    61    40    41    43    44    64    47  
   39    42    45    46    51    57    58    60    40    41    43    53    47    48    49    50  
   42    45    57    40    47  
   41    43    44    64    65    42    51    57    58    59    60    61    63    66    73  
   43    44    64    57    58    60    63  
   45    46    51    52    57    53    54    55    56    47    48    49    50  
   44    64    57    58    60    63  
   60  
   46    51    52    57    58    53    54    55    56    47    48    49    50  
   51    52    57    53    54    55    56    47  
   48    49    50    51    53  
   49    50  
   50  
    0  
   52    57    58    59    60    61    53    54    55    56  
   57    58    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    63    73    61    62    64  
   59    60    63    66    71    73    61    62    64    65  
   60    63    73    61    62    64  
   63    66    67    68    71    73    61    62    64    65  
   62    74    64    63    66    70    71    73  
   63    71    73  
   66    67    68    69    70    71    73    74    64    65  
   65    66    73  
    0  
   67    68    69    70    71    73    72  
   68    69    70    73  
   69    70    71    73    74    72    75  
   70    71    72  
   71    73    74    79    72    75    76    77    78  
   73    74    79    80    81    82    72    75  
   75    76    77    78    73    74  
   74    79  
   79    80    81    82  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.022500   1.9750   1.7500   0.005000000  -0.741685710
   46   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   47   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   58   3.5000   0.0660   0.132500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.3000   0.1700  -0.702500   2.1120   1.8750   0.051222218  -2.220205820
   62   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    57   337.000  1.449
   37    40   268.000  1.529
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    45   337.000  1.449
   42    47   337.000  1.449
   45    46   222.000  1.810
   45    51   317.000  1.522
   45    53   268.000  1.529
   51    52   570.000  1.229
   51    57   490.000  1.335
   57    58   337.000  1.449
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    61   382.000  1.448
   60    63   317.000  1.510
   60    40   268.000  1.529
   60    64   320.000  1.410
   63    66   469.000  1.400
   63    73   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   300.000  1.725
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    73   469.000  1.400
   71    74   450.000  1.364
   73    61   481.000  1.340
   61    62   434.000  1.010
   74    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   64    65   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    57    80.00000  108.62000
   33    37    40    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    42    70.00000  116.60000
   37    57    51    50.00000  121.90000
   37    57    58    50.00000  118.00000
   37    40    60    58.35000  112.70000
   37    40    41    37.50000  110.70000
   37    40    43    50.00000  109.50000
   38    42    45    50.00000  121.90000
   38    42    47    50.00000  121.90000
   42    38    39    80.00000  122.90000
   42    45    46    80.00000  108.62000
   42    45    51    75.00000  110.24000
   42    45    53    70.00000  110.72300
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   45    51    52    80.00000  120.40000
   45    51    57    70.00000  116.60000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    56    37.50000  110.70000
   51    45    46    70.00000  112.33000
   51    57    58    50.00000  121.90000
   57    37    38    75.00000  110.24000
   57    51    52    80.00000  122.90000
   57    58    59    35.00000  109.50000
   57    58    60    80.00000  109.70000
   57    58    61    90.00000  107.82800
   58    60    63    70.00000  112.17500
   58    60    40    58.35000  112.70000
   58    60    64    50.00000  109.50000
   58    61    73    50.00000  120.00000
   58    61    62    35.00000  112.50000
   60    58    59    37.50000  110.70000
   60    63    66    70.00000  120.00000
   60    63    73    70.00000  120.00000
   60    40    41    37.50000  110.70000
   60    40    43    50.00000  109.50000
   60    64    65    55.00000  108.50000
   63    66    67    35.00000  120.00000
   63    66    68    63.00000  120.00000
   63    73    71    63.00000  120.00000
   63    73    61    70.00000  120.10000
   66    68    69    75.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    72    70.00000  120.00000
   70    68    69    75.00000  120.00000
   70    71    73    63.00000  120.00000
   70    71    74    70.00000  120.00000
   70    72    75    75.00000  111.00000
   71    73    61    70.00000  120.10000
   71    74    79    75.00000  111.00000
   73    63    66    63.00000  120.00000
   73    61    62    35.00000  113.50000
   61    58    59    35.00000  109.50000
   61    58    60    80.00000  111.61500
   74    71    73    70.00000  120.00000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   40    37    38    63.00000  111.10000
   40    37    57    70.00000  110.72300
   40    60    63    70.00000  112.17500
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   64    60    63    90.00000  112.51600
   64    60    40    50.00000  109.50000
   53    45    46    75.00000  111.63000
   53    45    51    63.00000  111.10000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    42    45    50.00000  118.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    57   0.00000  1.0 1.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    42   0.00000  1.0 1.0
   33    37    57    51  -0.42300  1.0 1.0
   33    37    57    51  -0.07000 -1.0 2.0
   33    37    57    51   0.04150  1.0 3.0
   33    37    57    58   0.17850 -1.0 2.0
   33    37    40    60   0.44750  1.0 1.0
   33    37    40    60  -0.17800 -1.0 2.0
   33    37    40    60   0.20200  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    43   0.56750  1.0 1.0
   33    37    40    43  -0.07550 -1.0 2.0
   33    37    40    43   0.20000  1.0 3.0
   37    38    42    45   1.49850  1.0 1.0
   37    38    42    45   1.53950 -1.0 2.0
   37    38    42    47   1.49850  1.0 1.0
   37    38    42    47   1.53950 -1.0 2.0
   37    57    58    59   0.00000  1.0 1.0
   37    57   -58    60  -0.05900 -1.0 2.0
   37    57    58    61   0.17850 -1.0 2.0
   37    40    43    44  -0.11600  1.0 1.0
   37    40    43    44  -0.09450 -1.0 2.0
   37    40    43    44   0.21250  1.0 3.0
   38    37    57    51  -0.42300  1.0 1.0
   38    37    57    51  -0.07000 -1.0 2.0
   38    37    57    51   0.04150  1.0 3.0
   38    37    57    58   0.17850 -1.0 2.0
   38    37    40    60  -0.95700  1.0 1.0
   38    37    40    60  -0.18200 -1.0 2.0
   38    37    40    60   0.29450  1.0 3.0
   38    37    40    41  -0.11250  1.0 3.0
   38    37    40    43  -0.09450  1.0 1.0
   38    37    40    43  -1.12950 -1.0 2.0
   38    37    40    43   0.54000  1.0 3.0
   38    42    45    46  -0.42300  1.0 1.0
   38    42    45    46  -0.07000 -1.0 2.0
   38    42    45    46   0.04150  1.0 3.0
   38    42   -45    51  -0.42300  1.0 1.0
   38    42   -45    51  -0.07000 -1.0 2.0
   38    42   -45    51   0.04150  1.0 3.0
   38    42    45    53  -0.43950  1.0 1.0
   38    42    45    53  -0.08100 -1.0 2.0
   38    42    45    53   0.03350  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    50   0.00000  1.0 1.0
   39    38    42    45   3.04450 -1.0 2.0
   39    38    42    47   3.04450 -1.0 2.0
   42    45    51    52   0.30150 -1.0 2.0
   42    45    51    57   0.00000  1.0 1.0
   42    45    53    54   0.15000  1.0 3.0
   42    45    53    55   0.15000  1.0 3.0
   42    45    53    56   0.15000  1.0 3.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    50   0.00000  1.0 1.0
   45    51   -57    37   1.49850  1.0 1.0
   45    51   -57    37   1.53950 -1.0 2.0
   45    51    57    58   1.15000  1.0 1.0
   45    51    57    58   3.04450 -1.0 2.0
   46    45    51    52   0.30150 -1.0 2.0
   46    45    51    57   0.00000  1.0 1.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    56   0.15000  1.0 3.0
   51    45    53    54  -0.11250  1.0 3.0
   51    45    53    55  -0.11250  1.0 3.0
   51    45    53    56  -0.11250  1.0 3.0
   51    57    58    59   0.00000  1.0 1.0
   51    57    58    60   0.25950  1.0 1.0
   51    57    58    60   0.43850 -1.0 2.0
   51    57    58    60   2.61650  1.0 3.0
   51    57    58    61  -0.50000 -1.0 2.0
   52    51    57    37   3.04450 -1.0 2.0
   52    51    57    58   3.04450 -1.0 2.0
   57    37    38    39   0.30150 -1.0 2.0
   57    37   -38    42   0.00000  1.0 1.0
   57    37   -40    60   0.43900  1.0 1.0
   57    37   -40    60   0.49100 -1.0 2.0
   57    37   -40    60   0.28400  1.0 3.0
   57    37    40    41   0.15000  1.0 3.0
   57    37    40    43   2.76900  1.0 1.0
   57    37    40    43  -0.24350 -1.0 2.0
   57    37    40    43  -0.78250  1.0 3.0
   57    58    60    63   0.08550  1.0 1.0
   57    58    60    63   1.07500 -1.0 2.0
   57    58    60    63  -0.10950  1.0 3.0
   57    58   -60    40   0.42250  1.0 1.0
   57    58   -60    40  -0.48100 -1.0 2.0
   57    58   -60    40   0.35650  1.0 3.0
   57    58    60    64   2.76900  1.0 1.0
   57    58    60    64  -0.24350 -1.0 2.0
   57    58    60    64  -0.78250  1.0 3.0
   57    58    61    73  -0.12500  1.0 1.0
   57    58    61    73  -0.12500 -1.0 2.0
   57    58    61    73   0.25000  1.0 3.0
   57    58    61    62  -0.12500  1.0 1.0
   57    58    61    62  -0.12500 -1.0 2.0
   57    58    61    62   0.25000  1.0 3.0
   58    60    63    66   0.04150 -1.0 2.0
   58    60   -63    73   0.04150 -1.0 2.0
   58    60   -40    37   0.56750  1.0 1.0
   58    60   -40    37  -0.07550 -1.0 2.0
   58    60   -40    37   0.20000  1.0 3.0
   58    60    40    41   0.15000  1.0 3.0
   58    60    40    43   0.86500  1.0 1.0
   58    60    40    43  -0.17500 -1.0 2.0
   58    60    40    43   0.20800  1.0 3.0
   58    60    64    65  -0.11600  1.0 1.0
   58    60    64    65  -0.09450 -1.0 2.0
   58    60    64    65   0.21250  1.0 3.0
   59    58    60    63   0.43200  1.0 3.0
   59    58    60    40   0.15000  1.0 3.0
   59    58    60    64   0.23400  1.0 3.0
   59    58    61    73   0.00000  1.0 1.0
   59    58    61    62   0.00000  1.0 1.0
   60    58   -61    73  -0.12500  1.0 1.0
   60    58   -61    73  -0.12500 -1.0 2.0
   60    58   -61    73   0.25000  1.0 3.0
   60    58    61    62   0.00000  1.0 1.0
   60    63    66    67   3.62500 -1.0 2.0
   60    63    66    68   3.62500 -1.0 2.0
   60    63    73    71   3.62500 -1.0 2.0
   60    63   -73    61   3.62500 -1.0 2.0
   60    40    43    44  -0.11600  1.0 1.0
   60    40    43    44  -0.09450 -1.0 2.0
   60    40    43    44   0.21250  1.0 3.0
   63    60    40    37  -0.03700  1.0 1.0
   63    60    40    37   0.37200 -1.0 2.0
   63    60    40    37  -0.47300  1.0 3.0
   63    60    40    41   0.43200  1.0 3.0
   63    60    40    43   1.13150  1.0 1.0
   63    60    40    43  -1.01400 -1.0 2.0
   63    60    64    65   0.31900  1.0 1.0
   63    60    64    65  -0.11800 -1.0 2.0
   63    60    64    65   0.38750  1.0 3.0
   63    66    68    69   3.62500 -1.0 2.0
   63    66    68    70   3.62500 -1.0 2.0
   63    73   -61    58  -1.00000  1.0 1.0
   63    73   -61    58   1.25000 -1.0 2.0
   63    73    61    62   1.00000 -1.0 2.0
   66    63    73    71   3.62500 -1.0 2.0
   66    63    73    61   3.62500 -1.0 2.0
   66    68   -70    71   3.62500 -1.0 2.0
   66    68    70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    73   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    72    75   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    71   -73    63   3.62500 -1.0 2.0
   70    71    73    61   3.62500 -1.0 2.0
   70    71    74    79   1.63200 -1.0 2.0
   70    72    75    76   0.08050  1.0 3.0
   70    72    75    77   0.08050  1.0 3.0
   70    72    75    78   0.08050  1.0 3.0
   71    70    72    75   1.63200 -1.0 2.0
   71    73    61    58  -1.00000  1.0 1.0
   71    73    61    58   1.25000 -1.0 2.0
   71    73    61    62   1.00000 -1.0 2.0
   71    74    79    80   0.08050  1.0 3.0
   71    74    79    81   0.08050  1.0 3.0
   71    74    79    82   0.08050  1.0 3.0
   73    63    66    67   3.62500 -1.0 2.0
   73    63   -66    68   3.62500 -1.0 2.0
   73    71    74    79   1.63200 -1.0 2.0
   61    58   -60    63   0.08550  1.0 1.0
   61    58   -60    63   1.07500 -1.0 2.0
   61    58   -60    63  -0.10950  1.0 3.0
   61    58    60    40   1.26750  1.0 1.0
   61    58    60    40  -0.00950 -1.0 2.0
   61    58    60    40   0.30600  1.0 3.0
   61    58    60    64   4.07950  1.0 1.0
   61    58    60    64  -0.26450 -1.0 2.0
   61    58    60    64  -0.12150  1.0 3.0
   74    71    73    63   3.62500 -1.0 2.0
   74    71    73    61   3.62500 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37    38    42   1.39750  1.0 1.0
   40    37    38    42  -0.07950 -1.0 2.0
   40    37    38    42  -0.18750  1.0 3.0
   40    37    57    51  -0.43950  1.0 1.0
   40    37    57    51  -0.08100 -1.0 2.0
   40    37    57    51   0.03350  1.0 3.0
   40    37   -57    58  -0.05900 -1.0 2.0
   40    60    63    66   0.04150 -1.0 2.0
   40    60    63    73   0.04150 -1.0 2.0
   40    60    64    65  -0.11600  1.0 1.0
   40    60    64    65  -0.09450 -1.0 2.0
   40    60    64    65   0.21250  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   64    60    63    66   0.14300 -1.0 2.0
   64    60    63    66   0.00300  1.0 3.0
   64    60    63    73   0.14300 -1.0 2.0
   64    60    63    73   0.00300  1.0 3.0
   64    60    40    37   0.86500  1.0 1.0
   64    60    40    37  -0.17500 -1.0 2.0
   64    60    40    37   0.20800  1.0 3.0
   64    60    40    41   0.23400  1.0 3.0
   64    60    40    43   3.75450  1.0 1.0
   53    45    51    52   0.30150 -1.0 2.0
   53    45    51    57   1.39750  1.0 1.0
   53    45    51    57  -0.07950 -1.0 2.0
   53    45    51    57  -0.18750  1.0 3.0
   47    42    45    46   0.17850 -1.0 2.0
   47    42    45    51   0.17850 -1.0 2.0
   47    42    45    53  -0.05900 -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
   36    30    34    35  10.50000 -1.0 2.0
   37    42    38    39  10.50000 -1.0 2.0
   47    38    42    45   1.00000 -1.0 2.0
   45    57    51    52  10.50000 -1.0 2.0
   58    51    57    37   1.00000 -1.0 2.0
   66    73    63    60   4.00000 -1.0 2.0
   68    67    66    63   1.10000 -1.0 2.0
   70    69    68    66   4.00000 -1.0 2.0
   71    72    70    68   4.00000 -1.0 2.0
   73    74    71    70   4.00000 -1.0 2.0
   71    61    73    63   4.00000 -1.0 2.0
   62    73    61    58   1.00000 -1.0 2.0
END
