* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    230     457
    1     0 S   NP   _N1_     1    28.76948    96.01126   -20.24301
    2     1 S   H    _HN1     2     1.02962    89.91509    37.76457
    3     1 S   H    _H1_     3     1.02838    35.14134   158.60048
    4     1 S   H    _H2_     4     1.02780    85.24484   -70.60285
    5     1 S   CT   _CA1     5     1.50117   145.74537   165.91587
    6     5 S   HC   _HA1     6     1.09579   105.24898    54.77110
    7     5 S   CO3  _C1_     7     1.53826   112.20570   -65.37374
    8     7 S   O2Z  _O11     8     1.26342   115.03540   -47.99753
    9     7 S   O2Z  _O12     9     1.26238   114.88903   131.07515
   10     5 S   CT   _CB1    10     1.53103   107.39217   172.53534
   11    10 S   HC   HB11    11     1.09818   109.37099   -51.33653
   12    10 S   HC   HB12    12     1.09822   110.41755    65.20792
   13    10 S   CT   _CG1    13     1.52984   112.63706  -172.50150
   14    13 S   HC   HG11    14     1.09516   110.22682   -61.17148
   15    13 S   HC   HG12    15     1.09627   110.18608    57.95193
   16    13 S   C    _CD1    16     1.51815   112.23349   178.20463
   17    16 S   O    _OE1    17     1.22729   123.17610   -11.84357
   18    16 S   N    _N2_    18     1.38594   111.69634   168.85152
   19    18 S   H    _HN2    19     1.01573   118.96643     1.30506
   20    18 S   CT1  _CA2    20     1.46264   123.49591  -178.13313
   21    20 S   HC   _HA2    21     1.09731   109.33775   -15.36628
   22    20 S   C    _C2_    22     1.53402   108.16356  -131.07838
   23    22 S   O    _O2_    23     1.23004   122.30641  -145.24219
   24    20 S   CT   _CB2    32     1.53497   111.42379   106.81567
   25    24 S   HC   HB21    33     1.09571   109.67081    54.78151
   26    24 S   HC   HB22    34     1.09480   110.45625   173.62631
   27    22 S   N    _N3_    24     1.38528   113.30179    42.07082
   28    27 S   H    _HN3    25     1.01532   118.90163    -0.54249
   29    24 S   S    _SG2    35     1.82745   111.69567   -66.75361
   30    27 S   CT   _CA3    26     1.45445   123.43807   175.09112
   31    30 S   HC   HA31    27     1.09523   109.22947    24.58449
   32    30 S   HC   HA32    28     1.09495   107.12685   141.59333
   33    29 S   CT   _C18    36     1.84494    99.94831   156.24356
   34    33 S   HC   _H3_    37     1.09493   105.57899   -49.61837
   35    30 S   CO3  _C3_    29     1.52926   113.10787   -98.88111
   36    35 S   O2Z  _O31    30     1.26402   115.40315   -44.39831
   37    35 S   O2Z  _O32    31     1.26354   114.98201   136.52909
   38    33 S   CM   _C17    38     1.51114   106.76348  -165.54713
   39    38 S   HC   _H25    39     1.08843   117.50144   -58.20326
   40    33 S   CT   _C19    73     1.54666   112.23401    69.24746
   41    40 S   HC   _H4_    74     1.09604   109.41068   -56.48424
   42    38 S   CM   _C16    40     1.34167   123.04792   120.73097
   43    42 S   HC   _H24    41     1.08737   119.34870     1.42930
   44    40 S   CT   _C20    75     1.53985   114.34643  -177.18652
   45    44 S   HC   _H26    76     1.09835   108.26922  -174.50082
   46    44 S   HC   _H27    77     1.09644   110.03978   -60.29050
   47    40 S   OH   _O35    87     1.43125   110.91998    60.30618
   48    47 S   HO   _H32    88     0.97218   108.00917    70.48723
   49    42 S   CM   _C15    42     1.44528   123.56921  -177.52559
   50    49 S   HC   _H23    43     1.08711   117.39931     0.05234
   51    44 S   CT   _C21    78     1.53178   113.37717    64.25747
   52    51 S   HC   _H28    79     1.09460   110.71268   -60.20225
   53    51 S   HC   _H29    80     1.09686   108.89236    56.86174
   54    49 S   CM   _C14    44     1.34148   122.24122   178.24587
   55    54 S   HC   _H22    45     1.08554   118.99887     1.46019
   56    51 S   CT   _C22    81     1.52649   112.13353   177.00853
   57    56 S   HC   _H30    82     1.09730   108.54544  -169.78425
   58    56 S   HC   _H31    83     1.09697   109.62450   -53.48465
   59    54 S   CM   _C13    46     1.44519   123.41723  -176.91879
   60    59 S   HC   _H21    47     1.08841   116.47135    -3.19010
   61    56 S   CO3  _C23    84     1.53251   115.93302    70.72472
   62    61 S   O2Z  _O34    85     1.26448   114.30575  -155.30113
   63    61 S   O2Z  _O33    86     1.26179   116.28626    25.47448
   64    59 S   CM   _C12    48     1.34309   125.90381   174.84550
   65    64 S   HC   _H20    49     1.08920   117.12612  -178.10555
   66    64 S   CT   _C11    50     1.50385   127.57515     1.89754
   67    66 S   HC   _H18    51     1.09264   110.95118    31.38568
   68    66 S   HC   _H19    52     1.09741   108.08300   145.77236
   69    66 S   CM   _C10    53     1.50178   111.69615   -95.28306
   70    69 S   HC   _H17    54     1.08952   115.34312   -63.14453
   71    69 S   CM   _C9_    55     1.34311   127.78620   117.03189
   72    71 S   HC   _H16    56     1.08928   117.09732  -179.95577
   73    71 S   CT   _C8_    57     1.50186   127.78090     0.29871
   74    73 S   HC   _H14    58     1.09339   111.76298     8.27472
   75    73 S   HC   _H15    59     1.09695   108.26054   124.78158
   76    73 S   CT   _C7_    60     1.53122   111.41131  -114.82331
   77    76 S   HC   _H12    61     1.09690   110.02649    54.01072
   78    76 S   HC   _H13    62     1.09721   109.68329   -63.31330
   79    76 S   CT   _C6_    63     1.53031   111.12400   175.33041
   80    79 S   HC   _H10    64     1.09686   109.50287   -58.22994
   81    79 S   HC   _H11    65     1.09681   109.57782    58.92520
   82    79 S   CT   _C5_    66     1.52808   111.52156  -179.57342
   83    82 S   HC   _H8_    67     1.09551   109.70028   -60.80487
   84    82 S   HC   _H9_    68     1.09608   110.07691    56.99792
   85    82 S   CT   _C4_    69     1.52015   111.42815   178.25437
   86    85 S   HC   _H5_    70     1.09456   111.02576   -60.41741
   87    85 S   HC   _H6_    71     1.09388   110.31401   179.79064
   88    85 S   HC   _H7_    72     1.09462   110.98625    60.07110
  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
  14   7   2   1   1  10   4  11   6   6   3  11   6   5   2   1
   6   3   8   5   4   6   3   5   4   3   7   3   2   1   1   7
   4   7   4   3   7   3   8   4   9   5   4   9   5   4   9   5
   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    40    41    44    45    46    51    47    48  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    54    40    41    44    47  
   42    43    49    40  
   41    44    45    46    51    52    53    56    47    48    42  
   44    45    46    51    47    48  
   43    49    50    54    55    59  
   49    50    54  
   45    46    51    52    53    56    57    58    61    47    48  
   46    51    52    53    56    47  
   51    52    53    56    47  
   48    51  
    0  
   50    54    55    59    60    64  
   54    55    59  
   52    53    56    57    58    61    62    63  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    64    65    66  
   59    60    64  
   57    58    61    62    63  
   58    61    62    63  
   61    62    63  
   60    64    65    66    67    68    69  
   64    65    66  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    69  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73    74    75    76    77    78    79  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   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  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    49   380.000  1.444
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    59   380.000  1.444
   59    60   340.000  1.080
   59    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.510
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   47    48   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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    49    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    49    50    35.00000  120.00000
   42    49    54    70.00000  123.01800
   49    42    43    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    70.00000  123.01800
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    64    70.00000  123.01800
   59    54    55    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    66    70.00000  124.00000
   64    59    60    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    70.00000  110.12100
   66    64    65    35.00000  117.00000
   66    69    70    35.00000  117.00000
   66    69    71    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    35.00000  120.00000
   69    71    73    70.00000  124.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    70.00000  112.02700
   73    71    72    35.00000  117.00000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    51    58.35000  112.70000
   40    47    48    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    56    58.35000  112.70000
   46    44    45    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    46    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    70.00000  109.69300
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   63    61    62    80.00000  126.00000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    47   1.05650  1.0 1.0
   38    33    40    47   0.15600 -1.0 2.0
   38    33    40    47   0.53150  1.0 3.0
   38    42    49    50  -0.18600  1.0 3.0
   38    42    49    54   0.28850  1.0 1.0
   38    42    49    54   2.61350 -1.0 2.0
   38    42    49    54   0.78400  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   42    49    54    55   7.00000 -1.0 2.0
   42    49    54    59   7.00000 -1.0 2.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    54  -0.18600  1.0 3.0
   49    54    59    60  -0.18600  1.0 3.0
   49    54    59    64   0.28850  1.0 1.0
   49    54    59    64   2.61350 -1.0 2.0
   49    54    59    64   0.78400  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    59   7.00000 -1.0 2.0
   54    59    64    65   7.00000 -1.0 2.0
   54    59    64    66   7.00000 -1.0 2.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    64  -0.18600  1.0 3.0
   59    64    66    67   0.00000  1.0 1.0
   59    64    66    68   0.00000  1.0 1.0
   59    64    66    69  -0.28300  1.0 1.0
   59    64    66    69   0.26700 -1.0 2.0
   59    64    66    69  -0.63300  1.0 3.0
   60    59    64    65   7.00000 -1.0 2.0
   60    59    64    66   7.00000 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71  -0.28300  1.0 1.0
   64    66    69    71   0.26700 -1.0 2.0
   64    66    69    71  -0.63300  1.0 3.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.33100  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   66    69    71    72   7.00000 -1.0 2.0
   66    69    71    73   7.00000 -1.0 2.0
   67    66    69    70   0.33100  1.0 3.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.33100  1.0 3.0
   68    66    69    71   0.00000  1.0 1.0
   69    71    73    74   0.00000  1.0 1.0
   69    71    73    75   0.00000  1.0 1.0
   69    71    73    76   0.09850  1.0 1.0
   69    71    73    76   0.15250 -1.0 2.0
   69    71    73    76  -0.50650  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    76    77   0.15000  1.0 3.0
   71    73    76    78   0.15000  1.0 3.0
   71    73    76    79   0.34400  1.0 1.0
   71    73    76    79   0.09450 -1.0 2.0
   71    73    76    79   0.11100  1.0 3.0
   72    71    73    74   0.33100  1.0 3.0
   72    71    73    75   0.33100  1.0 3.0
   72    71    73    76   0.00000  1.0 1.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    56   0.56750  1.0 1.0
   40    44    51    56  -0.07550 -1.0 2.0
   40    44    51    56   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48  -0.11600  1.0 1.0
   44    40    47    48  -0.09450 -1.0 2.0
   44    40    47    48   0.21250  1.0 3.0
   44    51    56    57   0.15000  1.0 3.0
   44    51    56    58   0.15000  1.0 3.0
   44    51    56    61  -1.63150  1.0 1.0
   44    51    56    61  -0.43550 -1.0 2.0
   44    51    56    61   0.24500  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    56   0.15000  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53   0.15000  1.0 3.0
   46    44    51    56   0.15000  1.0 3.0
   51    56    61    62   0.41150 -1.0 2.0
   51    56    61    63   0.41150 -1.0 2.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61  -0.11250  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61  -0.11250  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   58    56    61    62   0.00000  1.0 1.0
   58    56    61    63   0.00000  1.0 1.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    51   0.86500  1.0 1.0
   47    40    44    51  -0.17500 -1.0 2.0
   47    40    44    51   0.20800  1.0 3.0
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
   33    39    38    42  15.00000 -1.0 2.0
   49    43    42    38  15.00000 -1.0 2.0
   42    50    49    54  15.00000 -1.0 2.0
   59    55    54    49  15.00000 -1.0 2.0
   54    60    59    64  15.00000 -1.0 2.0
   66    65    64    59  15.00000 -1.0 2.0
   66    70    69    71  15.00000 -1.0 2.0
   73    72    71    69  15.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
END
