* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    145    211     415
    1     0 S   NP   _N1_     1    29.41793    91.11149   -23.11460
    2     1 S   H    _HN1     2     1.02957    98.41996    31.46614
    3     1 S   H    _H1_     3     1.02836    10.60501   176.15559
    4     1 S   H    _H2_     4     1.02775   105.69859   -80.41961
    5     1 S   CT   _CA1     5     1.50124   120.40886   151.15871
    6     5 S   HC   _HA1     6     1.09574   105.22534    63.89218
    7     5 S   CO3  _C1_     7     1.53772   112.37499   -56.30616
    8     7 S   O2Z  _O11     8     1.26357   114.98128   -43.41802
    9     7 S   O2Z  _O12     9     1.26237   114.91974   135.71258
   10     5 S   CT   _CB1    10     1.53087   107.43767  -178.19030
   11    10 S   HC   HB11    11     1.09824   109.30402   -50.64286
   12    10 S   HC   HB12    12     1.09825   110.43032    65.88767
   13    10 S   CT   _CG1    13     1.53045   112.69262  -171.76913
   14    13 S   HC   HG11    14     1.09592   110.41756   -64.15958
   15    13 S   HC   HG12    15     1.09646   110.04213    55.11677
   16    13 S   C    _CD1    16     1.51778   112.22476   175.39262
   17    16 S   O    _OE1    17     1.22757   123.18342    -3.14939
   18    16 S   N    _N2_    18     1.38696   111.77386   177.02034
   19    18 S   H    _HN2    19     1.01594   119.13646     0.74019
   20    18 S   CT1  _CA2    20     1.46068   123.15042  -179.41550
   21    20 S   HC   _HA2    21     1.09547   109.09842   -11.25480
   22    20 S   C    _C2_    22     1.53432   108.92942  -126.16751
   23    22 S   O    _O2_    23     1.23029   122.07624  -148.60937
   24    20 S   CT   _CB2    32     1.53532   112.02593   111.11185
   25    24 S   HC   HB21    33     1.09677   109.30202    65.24859
   26    24 S   HC   HB22    34     1.09503   110.81935  -178.01801
   27    22 S   N    _N3_    24     1.38463   113.46666    39.08726
   28    27 S   H    _HN3    25     1.01511   118.92369    -0.91685
   29    24 S   S    _SG2    35     1.83016   115.20130   -54.01828
   30    27 S   CT   _CA3    26     1.45441   123.43188   174.25291
   31    30 S   HC   HA31    27     1.09525   109.16296    25.59633
   32    30 S   HC   HA32    28     1.09488   107.13614   142.67421
   33    29 S   CT   _C16    36     1.82681   101.05127   -65.71340
   34    33 S   HC   _H3_    37     1.09372   109.37287    43.87802
   35    30 S   CO3  _C3_    29     1.52968   113.21823   -97.75770
   36    35 S   O2Z  _O31    30     1.26398   115.51689   -40.07023
   37    35 S   O2Z  _O32    31     1.26368   114.89228   140.83118
   38    33 S   CO4  _C11    38     1.51567   110.47747   160.62795
   39    38 S   O    _O21    39     1.22489   124.70667    -3.21972
   40    38 S   CA   _C6_    40     1.48679   114.79984   178.06903
   41    40 S   CA   _C5_    41     1.40428   118.85055   -28.05997
   42    41 S   CA   _C8_    42     1.40120   118.84653  -178.85722
   43    41 S   CO4  _C10    77     1.49160   120.26017    -0.13848
   44    43 S   O    _O20    78     1.22840   120.51263  -179.16584
   45    42 S   CA   _C4_    43     1.39623   120.78825     0.58884
   46    45 S   HA   _H27    44     1.08861   119.02078   178.87239
   47    42 S   OH   _O23    75     1.36943   123.63401   179.90109
   48    47 S   HO   _H47    76     0.97380   109.03745     0.13270
   49    33 S   CT   _C15    79     1.51719   110.96879   -79.41714
   50    49 S   HC   _H29    80     1.09588   110.34013    63.00343
   51    49 S   HC   _H30    81     1.09710   112.05750   -58.08186
   52    45 S   CA   _C7_    45     1.40277   121.05275    -0.75666
   53    40 S   CA   _C9_    46     1.41014   120.96732   151.61699
   54    52 S   CT   _C22    52     1.52024   119.76231   179.07634
   55    54 S   HC   _H46    53     1.09685   111.09019  -170.30288
   56    53 S   OS   _O24    47     1.37391   120.61158    -0.66500
   57    54 S   CT   _C21    54     1.53948   111.12733    68.19166
   58    57 S   HC   _H44    55     1.09741   110.22434    48.67195
   59    57 S   HC   _H45    56     1.09497   110.83494   -68.20295
   60    54 S   OS   _O25    68     1.44919   109.20901   -50.38945
   61    56 S   CT   _C20    48     1.42938   110.73682   -86.09684
   62    61 S   HC   _H41    49     1.09405   107.74902   178.13975
   63    61 S   HC   _H42    50     1.09465   111.81964    59.66982
   64    61 S   HC   _H43    51     1.09443   111.10410   -63.73307
   65    57 S   CM   _C12    57     1.50648   111.47667   167.76705
   66    65 S   HC   _H28    58     1.08957   114.08534   -77.23811
   67    60 S   CO4  _C14    69     1.36233   117.45321   -86.04617
   68    67 S   O    _O22    70     1.22291   126.52294     0.63489
   69    65 S   CM   _C13    59     1.34665   127.76303   103.48570
   70    67 S   CT   _C19    71     1.49833   109.38548  -179.51221
   71    70 S   HC   _H38    72     1.09288   109.80632   -61.92832
   72    70 S   HC   _H39    73     1.09376   109.37181   178.95732
   73    70 S   HC   _H40    74     1.09301   109.82292    59.95556
   74    69 S   CT   _C17    60     1.50560   120.46488   178.80761
   75    74 S   HC   _H32    61     1.09496   110.27470   119.21038
   76    74 S   HC   _H33    62     1.09496   110.20987  -120.97073
   77    74 S   HC   _H34    63     1.09511   112.41207    -0.91386
   78    69 S   CT   _C18    64     1.50279   125.15358    -1.96822
   79    78 S   HC   _H35    65     1.09485   110.08859   115.57406
   80    78 S   HC   _H36    66     1.09209   113.58097    -5.43988
   81    78 S   HC   _H37    67     1.09542   110.01907  -125.12156
  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
  11   7   2   1   1  11   4  12  13  10   7   3  10   4   2   1
   2   1   1  11   9  12   6   4   9   5   4   7   3   2   1   1
  10   3   5   4   8   3   2   1   1   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    49    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    49    50    51  
   38    39    40    43    49    50    51  
   36    37  
   37  
    0  
   39    40    41    42    52    53    56    43    49    50    51  
   40    41    53    49  
   41    42    45    52    53    56    61    54    47    43    44    49  
   42    45    46    52    53    56    47    48    43    44    49    50    51  
   45    46    52    53    54    47    48    43    44    49  
   44    49    50    51    45    47    53  
   49    50    51  
   46    52    53    56    54    55    57    60    47    48  
   52    53    54    47  
   48    52  
    0  
   50    51  
   51  
    0  
   53    56    61    54    55    57    58    59    65    60    67  
   56    61    62    63    64    54    55    57    60  
   55    57    58    59    65    66    69    60    67    68    70    56  
   57    58    59    65    60    67  
   61    62    63    64  
   58    59    65    66    69    74    78    60    67  
   59    65    66    69    60  
   65    66    69    60  
   67    68    70    71    72    73    65  
   62    63    64  
   63    64  
   64  
    0  
   66    69    74    75    76    77    78    79    80    81  
   69    74    78  
   68    70    71    72    73  
   70    71    72    73  
   74    75    76    77    78    79    80    81  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    53   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    47   450.000  1.364
   45    46   367.000  1.080
   45    52   469.000  1.400
   52    53   469.000  1.400
   52    54   317.000  1.510
   53    56   450.000  1.364
   56    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   317.000  1.510
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    74   317.000  1.510
   69    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   60    67   214.000  1.327
   67    68   570.000  1.229
   67    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   47    48   553.000  0.945
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   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  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    43    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    51    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    53    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    53    52    63.00000  120.00000
   40    53    56    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    47    70.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    49    65.00000  115.47100
   42    45    46    35.00000  120.00000
   42    45    52    63.00000  120.00000
   42    47    48    35.00000  113.00000
   45    52    53    63.00000  120.00000
   45    52    54    70.00000  120.00000
   52    45    46    35.00000  120.00000
   52    53    56    70.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    57    70.00000  112.17500
   52    54    60    85.00000  111.85700
   53    40    41    63.00000  120.00000
   53    56    61    75.00000  111.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   54    52    53    70.00000  120.00000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    65    70.00000  112.02700
   54    60    67    83.00000  116.90000
   57    54    55    37.50000  110.70000
   57    65    66    35.00000  117.00000
   57    65    69    70.00000  124.00000
   59    57    58    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    59    35.00000  109.50000
   65    69    74    70.00000  124.00000
   65    69    78    70.00000  124.00000
   69    65    66    35.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   69    78    79    35.00000  109.50000
   69    78    80    35.00000  109.50000
   69    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    69    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    57    50.00000  109.50000
   60    67    68    83.00000  123.40000
   60    67    70    81.00000  111.40000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   70    67    68    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   47    42    45    70.00000  120.00000
   43    41    42    60.00000  119.52600
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   49    33    34    37.50000  110.70000
   49    33    38    63.00000  111.10000
   49    43    44    80.00000  120.40000
   51    49    50    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    43   0.56750  1.0 1.0
   29    33    49    43  -0.07550 -1.0 2.0
   29    33    49    43   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    53   2.26350  1.0 1.0
   33    38    40    53   0.76750 -1.0 2.0
   33    38    40    53   0.22500  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    49    43  -0.11250  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    51   0.15000  1.0 3.0
   38    33    49    43   0.11950  1.0 1.0
   38    33    49    43   0.20300 -1.0 2.0
   38    33    49    43  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    51  -0.11250  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    53    52   3.62500 -1.0 2.0
   38    40    53    56   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    53   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    47   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    49   2.26350  1.0 1.0
   40    41    43    49   0.76750 -1.0 2.0
   40    41    43    49   0.22500  1.0 3.0
   40    53    56    61   1.63200 -1.0 2.0
   41    40    53    52   3.62500 -1.0 2.0
   41    40    53    56   3.62500 -1.0 2.0
   41    42    45    46   3.62500 -1.0 2.0
   41    42   -45    52   3.62500 -1.0 2.0
   41    42    47    48   0.84100 -1.0 2.0
   41    43   -49    33   0.05850 -1.0 2.0
   41    43   -49    33   0.17250  1.0 3.0
   41    43    49    50   0.00000  1.0 1.0
   41    43    49    51   0.00000  1.0 1.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    49   2.26350  1.0 1.0
   42    41    43    49   0.76750 -1.0 2.0
   42    41    43    49   0.22500  1.0 3.0
   42    45    52    53   3.62500 -1.0 2.0
   42    45    52    54   3.62500 -1.0 2.0
   45    42    47    48   0.84100 -1.0 2.0
   45    52   -53    40   3.62500 -1.0 2.0
   45    52    53    56   3.62500 -1.0 2.0
   45    52    54    55   0.00000  1.0 1.0
   45    52    54    57   0.04150 -1.0 2.0
   45    52    54    60   0.64500  1.0 1.0
   45    52    54    60   0.14800 -1.0 2.0
   45    52    54    60   0.20650  1.0 3.0
   46    45    52    53   3.62500 -1.0 2.0
   46    45    52    54   3.62500 -1.0 2.0
   52    53    56    61   1.63200 -1.0 2.0
   52    54    57    58   0.43200  1.0 3.0
   52    54    57    59   0.43200  1.0 3.0
   52    54    57    65   0.21200  1.0 1.0
   52    54    57    65   0.16900 -1.0 2.0
   52    54    57    65  -1.15100  1.0 3.0
   52    54    60    67  -0.43900 -1.0 2.0
   52    54    60    67   0.14100  1.0 3.0
   53    40   -41    42   3.62500 -1.0 2.0
   53    40    41    43   3.62500 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    57   0.04150 -1.0 2.0
   53    52    54    60   0.64500  1.0 1.0
   53    52    54    60   0.14800 -1.0 2.0
   53    52    54    60   0.20650  1.0 3.0
   53    56    61    62   0.08050  1.0 3.0
   53    56    61    63   0.08050  1.0 3.0
   53    56    61    64   0.08050  1.0 3.0
   54    52    53    40   3.62500 -1.0 2.0
   54    52    53    56   3.62500 -1.0 2.0
   54    57    65    66   0.00000  1.0 1.0
   54    57    65    69   0.09850  1.0 1.0
   54    57    65    69   0.15250 -1.0 2.0
   54    57    65    69  -0.50650  1.0 3.0
   54    60    67    68   3.00000 -1.0 2.0
   54    60    67    70   1.63150  1.0 1.0
   54    60    67    70   2.92000 -1.0 2.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    65   0.15000  1.0 3.0
   55    54    60    67   0.08050  1.0 3.0
   57    54    60    67  -0.25900  1.0 1.0
   57    54    60    67  -0.47000 -1.0 2.0
   57    54    60    67   0.11750  1.0 3.0
   57    65    69    74   7.00000 -1.0 2.0
   57    65    69    78   7.00000 -1.0 2.0
   58    57    65    66   0.33100  1.0 3.0
   58    57    65    69   0.00000  1.0 1.0
   59    57    65    66   0.33100  1.0 3.0
   59    57    65    69   0.00000  1.0 1.0
   65    69    74    75   0.00000  1.0 1.0
   65    69    74    76   0.00000  1.0 1.0
   65    69    74    77   0.00000  1.0 1.0
   65    69    78    79   0.00000  1.0 1.0
   65    69    78    80   0.00000  1.0 1.0
   65    69    78    81   0.00000  1.0 1.0
   66    65    69    74   7.00000 -1.0 2.0
   66    65    69    78   7.00000 -1.0 2.0
   74    69    78    79   0.34800  1.0 3.0
   74    69    78    80   0.34800  1.0 3.0
   74    69    78    81   0.34800  1.0 3.0
   78    69    74    75   0.34800  1.0 3.0
   78    69    74    76   0.34800  1.0 3.0
   78    69    74    77   0.34800  1.0 3.0
   60    54    57    58   0.23400  1.0 3.0
   60    54    57    59   0.23400  1.0 3.0
   60    54    57    65   0.61850  1.0 1.0
   60    54    57    65  -0.22750 -1.0 2.0
   60    54    57    65   0.15300  1.0 3.0
   60    67    70    71   0.00000  1.0 1.0
   60    67    70    72   0.00000  1.0 1.0
   60    67    70    73   0.00000  1.0 1.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    73   0.00000  1.0 1.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    52   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    47   3.62500 -1.0 2.0
   44    43    49    33   0.30150 -1.0 2.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.05850 -1.0 2.0
   49    33   -38    40   0.17250  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    40    38    39  10.50000 -1.0 2.0
   41    53    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    47    42    41   4.00000 -1.0 2.0
   52    46    45    42   1.10000 -1.0 2.0
   53    54    52    45   4.00000 -1.0 2.0
   52    56    53    40   4.00000 -1.0 2.0
   57    66    65    69  15.00000 -1.0 2.0
   74    78    69    65  15.00000 -1.0 2.0
   60    70    67    68  10.50000 -1.0 2.0
   41    49    43    44  10.50000 -1.0 2.0
END
