* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    155    257     466
    1     0 S   NP   _N1_     1    31.11228    89.78683   -21.31016
    2     1 S   H    _HN1     2     1.03002   134.14130    57.13999
    3     1 S   H    _H1_     3     1.02856    26.90398    63.16991
    4     1 S   H    _H2_     4     1.02766    93.20016   -61.32052
    5     1 S   CT   _CA1     5     1.50032    97.41538  -173.82886
    6     5 S   HC   _HA1     6     1.09566   105.24982    42.85002
    7     5 S   CO3  _C1_     7     1.53912   112.39278   -77.56930
    8     7 S   O2Z  _O11     8     1.26401   115.32513   -53.73869
    9     7 S   O2Z  _O12     9     1.26224   114.83744   125.27426
   10     5 S   CT   _CB1    10     1.52998   107.44447   161.01939
   11    10 S   HC   HB11    11     1.09842   109.97589   -45.89943
   12    10 S   HC   HB12    12     1.09814   110.27442    70.43832
   13    10 S   CT   _CG1    13     1.53035   112.56130  -166.67984
   14    13 S   HC   HG11    14     1.09505   111.43310   -48.97879
   15    13 S   HC   HG12    15     1.09573   110.72657    70.08928
   16    13 S   C    _CD1    16     1.51376   109.28009  -170.46343
   17    16 S   O    _OE1    17     1.22822   121.76318   -79.27124
   18    16 S   N    _N2_    18     1.38426   112.76974    98.13641
   19    18 S   H    _HN2    19     1.01557   119.21260     6.67988
   20    18 S   CT1  _CA2    20     1.46208   123.51490  -174.15578
   21    20 S   HC   _HA2    21     1.09733   109.14715     7.11687
   22    20 S   C    _C2_    22     1.53457   109.52925  -109.05137
   23    22 S   O    _O2_    23     1.23099   122.11893  -148.26205
   24    20 S   CT   _CB2    32     1.53465   111.05975   128.44364
   25    24 S   HC   HB21    33     1.09652   109.94420    60.99338
   26    24 S   HC   HB22    34     1.09547   110.40215   179.70859
   27    22 S   N    _N3_    24     1.38287   113.99825    39.24276
   28    27 S   H    _HN3    25     1.01584   119.75787    -3.33096
   29    24 S   S    _SG2    35     1.82281   111.64968   -59.65496
   30    27 S   CT   _CA3    26     1.45317   122.91747   176.92222
   31    30 S   HC   HA31    27     1.09558   107.53735   -63.18186
   32    30 S   HC   HA32    28     1.09565   107.89965    53.17530
   33    29 S   CO4  _C21    36     1.76423    99.84262   170.98738
   34    33 S   O    _O34    37     1.22577   122.35775    28.92312
   35    30 S   CO3  _C3_    29     1.52898   114.28883   175.18863
   36    35 S   O2Z  _O31    30     1.26334   116.09981     0.11703
   37    35 S   O2Z  _O32    31     1.26444   114.38591  -179.84934
   38    33 S   CT   _C20    38     1.51549   114.74485  -150.93698
   39    38 S   HC   _H12    39     1.09871   105.69810   138.17513
   40    38 S   HC   _H13    40     1.09526   110.02221    24.74999
   41    38 S   CT   _C19    41     1.54643   112.39097  -101.93728
   42    41 S   HC   _H5_    42     1.09843   104.58288   -51.68349
   43    41 S   CA   _C22    43     1.53306   115.11924  -164.56559
   44    41 S   CA   _C17    56     1.55337   111.54558    66.19757
   45    43 S   CA   _C23    44     1.40759   118.66850   163.03835
   46    45 S   HA   _H14    45     1.08826   120.04374    -1.11925
   47    44 S   CA   _C16    57     1.43351   119.69375  -110.65850
   48    47 S   OM   _O37    58     1.27896   124.54895    -0.73462
   49    45 S   CA   _C24    46     1.39686   121.15222   178.57371
   50    49 S   HA   _H15    47     1.08605   119.30898  -179.86012
   51    47 S   CA   _C15    59     1.41444   115.21637   179.19473
   52    51 S   HA   _H11    60     1.09198   118.33336   179.87489
   53    49 S   CA   _C25    48     1.39192   119.66067    -0.21122
   54    51 S   CA   _C14    61     1.39858   123.44674    -0.28046
   55    53 S   CA   _C26    49     1.39108   120.06746     0.28939
   56    53 S   OH   _O36    54     1.36699   120.50582  -179.53186
   57    56 S   HO   _H18    55     0.97203   108.65101    -0.12511
   58    54 S   CA   _C13    62     1.39005   121.06446     0.01978
   59    54 S   OH   _O38    87     1.36988   119.80173   179.94766
   60    59 S   HO   _H19    88     0.97231   108.57879     0.24389
   61    43 S   CA   _C27    50     1.40461   123.11255   -17.99975
   62    61 S   HA   _H16    51     1.08578   120.48741     0.73409
   63    55 S   OH   _O35    52     1.36807   119.31223  -179.29779
   64    63 S   HO   _H17    53     0.97237   108.74865   176.92897
   65    44 S   CA   _C18    63     1.42645   119.60412    69.09693
   66    65 S   OS   _O33    64     1.37423   117.00300     0.18975
   67    66 S   CT   _C10    65     1.43254   115.09149   157.68176
   68    67 S   HC   _H3_    66     1.10028   107.03980   -64.45950
   69    67 S   CA   _C9_    67     1.51653   109.07847   179.81655
   70    67 S   CT   _C11    80     1.53069   110.62175    55.01322
   71    70 S   HC   _H4_    81     1.09600   111.27176   176.72691
   72    69 S   CA   _C4_    68     1.40407   119.59007   140.32718
   73    72 S   HA   _H6_    69     1.08769   120.31714     0.11191
   74    58 S   CT   _C12    82     1.50828   120.46245   179.56524
   75    74 S   HC   _H9_    83     1.09727   107.53710   -69.43317
   76    74 S   HC   _H10    84     1.09632   109.62152    48.24718
   77    70 S   OH   _O39    85     1.43060   110.54411    58.08145
   78    77 S   HO   _H20    86     0.97254   107.59500  -170.25785
   79    72 S   CA   _C5_    70     1.39638   120.80457  -179.37662
   80    79 S   HA   _H7_    71     1.08622   119.36020   179.54673
   81    79 S   CA   _C6_    72     1.39252   119.68203    -0.44455
   82    81 S   CA   _C7_    73     1.39179   120.16708    -0.17017
   83    81 S   OH   _O41    78     1.36695   120.46867  -179.93147
   84    83 S   HO   _H22    79     0.97207   108.76861    -1.03401
   85    69 S   CA   _C8_    74     1.40370   121.63843   -39.73692
   86    85 S   HA   _H8_    75     1.08734   119.84882     0.15826
   87    82 S   OH   _O40    76     1.36701   119.21110  -179.48187
   88    87 S   HO   _H21    77     0.97641   109.19350   172.66481
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   8   4   2   1   1  10   5   4  15   6  12  12   8   4   8   4
   7   3   7   3   7   9   6   3   1  11   3   1   3   1   1   1
   8   9  15   7  13   8   5   8   4   4   2   1   1   1   7   3
   7   6   3   1   3   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    45    61    44    47    65  
   40    41    42    43    44  
   41    42    43    44  
   42    43    45    46    49    55    61    62    44    47    48    51    58    65    66  
   43    45    61    44    47    65  
   45    46    49    50    53    55    61    62    63    44    47    65  
   47    48    51    52    54    58    65    66    67    74    45    61  
   46    49    50    53    55    61    62    56  
   49    50    53    61  
   48    51    52    54    58    65    66    59  
   51    52    54    65  
   50    53    55    61    63    56    57  
   53    55    56  
   52    54    58    65    74    59    60  
   54    58    59  
   55    61    62    63    64    56    57  
   58    65    66    70    74    75    76    59    60  
   61    62    63    64    56    57  
   57    61    63  
    0  
   65    66    67    70    71    74    75    76    77    59    60  
   60    65    74  
    0  
   62    63    64  
   63  
   64  
    0  
   66    67    68    69    70    74    75    76  
   67    68    69    72    85    70    71    74    77  
   68    69    72    73    79    82    85    86    70    71    74    75    76    77    78  
   69    72    85    70    71    74    77  
   72    73    79    80    81    82    85    86    87    70    71    74    77  
   71    74    75    76    77    78    72    85  
   74    75    76    77    78  
   73    79    80    81    82    85    86    83  
   79    80    81    85  
   75    76    77    78  
   76    77  
   77  
   78  
    0  
   80    81    82    85    87    83    84  
   81    82    83  
   82    85    86    87    88    83    84  
   85    86    87    88    83    84  
   84    85    87  
    0  
   86    87    88  
   87  
   88  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   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   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   317.000  1.510
   41    44   317.000  1.510
   43    45   469.000  1.400
   43    61   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    55   469.000  1.400
   53    56   450.000  1.364
   55    61   469.000  1.400
   55    63   450.000  1.364
   61    62   367.000  1.080
   63    64   553.000  0.945
   56    57   553.000  0.945
   44    47   469.000  1.400
   44    65   469.000  1.400
   47    48   450.000  1.364
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    58   469.000  1.400
   54    59   450.000  1.364
   58    65   469.000  1.400
   58    74   317.000  1.510
   65    66   450.000  1.364
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    70   268.000  1.529
   69    72   469.000  1.400
   69    85   469.000  1.400
   72    73   367.000  1.080
   72    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    83   450.000  1.364
   82    85   469.000  1.400
   82    87   450.000  1.364
   85    86   367.000  1.080
   87    88   553.000  0.945
   83    84   553.000  0.945
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   77    78   553.000  0.945
   59    60   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    63.00000  111.10000
   38    33    34    80.00000  120.40000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.17500
   38    41    44    70.00000  112.17500
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    45    70.00000  120.00000
   41    43    61    70.00000  120.00000
   41    44    47    70.00000  120.00000
   41    44    65    70.00000  120.00000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  120.00000
   43    45    49    63.00000  120.00000
   43    61    55    63.00000  120.00000
   43    61    62    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    55    63.00000  120.00000
   49    53    56    70.00000  120.00000
   53    49    50    35.00000  120.00000
   53    55    61    63.00000  120.00000
   53    55    63    70.00000  120.00000
   53    56    57    35.00000  113.00000
   55    61    62    35.00000  120.00000
   55    63    64    35.00000  113.00000
   61    43    45    63.00000  120.00000
   63    55    61    70.00000  120.00000
   56    53    55    70.00000  120.00000
   44    41    42    35.00000  109.50000
   44    41    43    70.00000  112.04700
   44    47    48    70.00000  120.00000
   44    47    51    63.00000  120.00000
   44    65    58    63.00000  120.00000
   44    65    66    70.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    54    63.00000  120.00000
   51    47    48    70.00000  120.00000
   51    54    58    63.00000  120.00000
   51    54    59    70.00000  120.00000
   54    51    52    35.00000  120.00000
   54    58    65    63.00000  120.00000
   54    58    74    70.00000  120.00000
   54    59    60    35.00000  113.00000
   58    65    66    70.00000  120.00000
   58    74    70    70.00000  112.17500
   58    74    75    35.00000  109.50000
   58    74    76    35.00000  109.50000
   65    44    47    63.00000  120.00000
   65    66    67    75.00000  111.00000
   66    67    68    35.00000  109.50000
   66    67    69    85.00000  111.85700
   66    67    70    50.00000  109.50000
   67    69    72    70.00000  120.00000
   67    69    85    70.00000  120.00000
   67    70    71    37.50000  110.70000
   67    70    74    58.35000  112.70000
   67    70    77    50.00000  109.50000
   69    67    68    35.00000  109.50000
   69    72    73    35.00000  120.00000
   69    72    79    63.00000  120.00000
   69    85    82    63.00000  120.00000
   69    85    86    35.00000  120.00000
   72    79    80    35.00000  120.00000
   72    79    81    63.00000  120.00000
   79    72    73    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    83    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    85    63.00000  120.00000
   81    82    87    70.00000  120.00000
   81    83    84    35.00000  113.00000
   82    85    86    35.00000  120.00000
   82    87    88    35.00000  113.00000
   85    69    72    63.00000  120.00000
   87    82    85    70.00000  120.00000
   83    81    82    70.00000  120.00000
   70    67    68    37.50000  110.70000
   70    67    69    70.00000  112.17500
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    77    78    55.00000  108.50000
   74    58    65    70.00000  120.00000
   74    70    71    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    70    71    35.00000  109.50000
   77    70    74    50.00000  109.50000
   59    54    58    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42  -0.11250  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.30150 -1.0 2.0
   38    41    43    45   0.04150 -1.0 2.0
   38    41    43    61   0.04150 -1.0 2.0
   38    41    44    47   0.04150 -1.0 2.0
   38    41    44    65   0.04150 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.43200  1.0 3.0
   39    38    41    44   0.43200  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.43200  1.0 3.0
   40    38    41    44   0.43200  1.0 3.0
   41    43    45    46   3.62500 -1.0 2.0
   41    43    45    49   3.62500 -1.0 2.0
   41    43    61    55   3.62500 -1.0 2.0
   41    43    61    62   3.62500 -1.0 2.0
   41    44    47    48   3.62500 -1.0 2.0
   41    44    47    51   3.62500 -1.0 2.0
   41    44    65    58   3.62500 -1.0 2.0
   41    44    65    66   3.62500 -1.0 2.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    61   0.00000  1.0 1.0
   42    41    44    47   0.00000  1.0 1.0
   42    41    44    65   0.00000  1.0 1.0
   43    41    44    47   0.04300 -1.0 2.0
   43    41    44    65   0.04300 -1.0 2.0
   43    45    49    50   3.62500 -1.0 2.0
   43    45    49    53   3.62500 -1.0 2.0
   45    43    61    55   3.62500 -1.0 2.0
   45    43    61    62   3.62500 -1.0 2.0
   45    49   -53    55   3.62500 -1.0 2.0
   45    49    53    56   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53    55    61   3.62500 -1.0 2.0
   49    53    55    63   3.62500 -1.0 2.0
   49    53    56    57   0.84100 -1.0 2.0
   50    49    53    55   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    55   -61    43   3.62500 -1.0 2.0
   53    55    61    62   3.62500 -1.0 2.0
   53    55    63    64   0.84100 -1.0 2.0
   55    53    56    57   0.84100 -1.0 2.0
   61    43    45    46   3.62500 -1.0 2.0
   61    43   -45    49   3.62500 -1.0 2.0
   61    55    63    64   0.84100 -1.0 2.0
   63    55    61    43   3.62500 -1.0 2.0
   63    55    61    62   3.62500 -1.0 2.0
   56    53    55    61   3.62500 -1.0 2.0
   56    53    55    63   3.62500 -1.0 2.0
   44    41    43    45   0.04300 -1.0 2.0
   44    41    43    61   0.04300 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47    51    54   3.62500 -1.0 2.0
   44    65    66    67   1.63200 -1.0 2.0
   47    44    65    58   3.62500 -1.0 2.0
   47    44    65    66   3.62500 -1.0 2.0
   47    51   -54    58   3.62500 -1.0 2.0
   47    51    54    59   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   51    54    58    65   3.62500 -1.0 2.0
   51    54    58    74   3.62500 -1.0 2.0
   51    54    59    60   0.84100 -1.0 2.0
   52    51    54    58   3.62500 -1.0 2.0
   52    51    54    59   3.62500 -1.0 2.0
   54    58   -65    44   3.62500 -1.0 2.0
   54    58    65    66   3.62500 -1.0 2.0
   54    58    74    70   0.04150 -1.0 2.0
   54    58    74    75   0.00000  1.0 1.0
   54    58    74    76   0.00000  1.0 1.0
   58    54    59    60   0.84100 -1.0 2.0
   58    65    66    67   1.63200 -1.0 2.0
   65    44    47    48   3.62500 -1.0 2.0
   65    44   -47    51   3.62500 -1.0 2.0
   65    58    74    70   0.04150 -1.0 2.0
   65    58    74    75   0.00000  1.0 1.0
   65    58    74    76   0.00000  1.0 1.0
   65    66    67    68   0.08050  1.0 3.0
   65    66    67    69  -0.50150  1.0 1.0
   65    66    67    69  -0.23050 -1.0 2.0
   65    66    67    69   0.70600  1.0 3.0
   65    66   -67    70  -0.32850  1.0 1.0
   65    66   -67    70  -0.35800 -1.0 2.0
   65    66   -67    70   0.33950  1.0 3.0
   66    67    69    72   0.64500  1.0 1.0
   66    67    69    72   0.14800 -1.0 2.0
   66    67    69    72   0.20650  1.0 3.0
   66    67    69    85   0.64500  1.0 1.0
   66    67    69    85   0.14800 -1.0 2.0
   66    67    69    85   0.20650  1.0 3.0
   66    67    70    71   0.23400  1.0 3.0
   66    67    70    74   0.62750  1.0 1.0
   66    67    70    74  -0.30950 -1.0 2.0
   66    67    70    74   0.27300  1.0 3.0
   66    67    70    77   3.69350  1.0 1.0
   66    67    70    77  -1.82950 -1.0 2.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69    72    79   3.62500 -1.0 2.0
   67    69    85    82   3.62500 -1.0 2.0
   67    69    85    86   3.62500 -1.0 2.0
   67    70   -74    58  -0.03700  1.0 1.0
   67    70   -74    58   0.37200 -1.0 2.0
   67    70   -74    58  -0.47300  1.0 3.0
   67    70    74    75   0.15000  1.0 3.0
   67    70    74    76   0.15000  1.0 3.0
   67    70    77    78  -0.11600  1.0 1.0
   67    70    77    78  -0.09450 -1.0 2.0
   67    70    77    78   0.21250  1.0 3.0
   68    67    69    72   0.00000  1.0 1.0
   68    67    69    85   0.00000  1.0 1.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    74   0.15000  1.0 3.0
   68    67    70    77   0.23400  1.0 3.0
   69    67    70    71   0.43200  1.0 3.0
   69    67    70    74  -0.03700  1.0 1.0
   69    67    70    74   0.37200 -1.0 2.0
   69    67    70    74  -0.47300  1.0 3.0
   69    67    70    77   1.13150  1.0 1.0
   69    67    70    77  -1.01400 -1.0 2.0
   69    72    79    80   3.62500 -1.0 2.0
   69    72    79    81   3.62500 -1.0 2.0
   72    69    85    82   3.62500 -1.0 2.0
   72    69    85    86   3.62500 -1.0 2.0
   72    79   -81    82   3.62500 -1.0 2.0
   72    79    81    83   3.62500 -1.0 2.0
   73    72    79    80   3.62500 -1.0 2.0
   73    72    79    81   3.62500 -1.0 2.0
   79    81    82    85   3.62500 -1.0 2.0
   79    81    82    87   3.62500 -1.0 2.0
   79    81    83    84   0.84100 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    82   -85    69   3.62500 -1.0 2.0
   81    82    85    86   3.62500 -1.0 2.0
   81    82    87    88   0.84100 -1.0 2.0
   82    81    83    84   0.84100 -1.0 2.0
   85    69    72    73   3.62500 -1.0 2.0
   85    69   -72    79   3.62500 -1.0 2.0
   85    82    87    88   0.84100 -1.0 2.0
   87    82    85    69   3.62500 -1.0 2.0
   87    82    85    86   3.62500 -1.0 2.0
   83    81    82    85   3.62500 -1.0 2.0
   83    81    82    87   3.62500 -1.0 2.0
   70    67    69    72   0.04150 -1.0 2.0
   70    67    69    85   0.04150 -1.0 2.0
   71    70    74    58   0.43200  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    77    78   0.19450  1.0 3.0
   74    58    65    44   3.62500 -1.0 2.0
   74    58   -65    66   3.62500 -1.0 2.0
   74    70    77    78  -0.11600  1.0 1.0
   74    70    77    78  -0.09450 -1.0 2.0
   74    70    77    78   0.21250  1.0 3.0
   77    70    74    58   1.13150  1.0 1.0
   77    70    74    58  -1.01400 -1.0 2.0
   77    70    74    75   0.23400  1.0 3.0
   77    70    74    76   0.23400  1.0 3.0
   59    54    58    65   3.62500 -1.0 2.0
   59    54    58    74   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   29    38    33    34  10.50000 -1.0 2.0
   45    61    43    41   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   55    56    53    49   4.00000 -1.0 2.0
   61    63    55    53   4.00000 -1.0 2.0
   55    62    61    43   1.10000 -1.0 2.0
   47    65    44    41   4.00000 -1.0 2.0
   51    48    47    44   4.00000 -1.0 2.0
   54    52    51    47   1.10000 -1.0 2.0
   58    59    54    51   4.00000 -1.0 2.0
   65    74    58    54   4.00000 -1.0 2.0
   58    66    65    44   4.00000 -1.0 2.0
   72    85    69    67   4.00000 -1.0 2.0
   79    73    72    69   1.10000 -1.0 2.0
   81    80    79    72   1.10000 -1.0 2.0
   82    83    81    79   4.00000 -1.0 2.0
   85    87    82    81   4.00000 -1.0 2.0
   82    86    85    69   1.10000 -1.0 2.0
END
