* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    28.06574    95.90142   -22.47486
    2     1 S   H    _HN1     2     1.02776   100.40232  -115.64871
    3     1 S   H    _H1_     3     1.02957    81.06280    -8.49632
    4     1 S   H    _H2_     4     1.02835    31.52462   137.00834
    5     1 S   CT   _CA1     5     1.50133   138.52730   102.27448
    6     5 S   HC   _HA1     6     1.09575   105.21138    77.76603
    7     5 S   CO3  _C1_     7     1.53783   112.34383   -42.41942
    8     7 S   O2Z  _O11     8     1.26367   114.99507   -44.17236
    9     7 S   O2Z  _O12     9     1.26233   114.92945   134.88786
   10     5 S   CT   _CB1    10     1.53092   107.41703  -164.33207
   11    10 S   HC   HB11    11     1.09828   109.32668   -50.44550
   12    10 S   HC   HB12    12     1.09815   110.43210    66.10665
   13    10 S   CT   _CG1    13     1.53023   112.67863  -171.50791
   14    13 S   HC   HG11    14     1.09593   110.50519   -64.56959
   15    13 S   HC   HG12    15     1.09657   109.90920    54.63818
   16    13 S   C    _CD1    16     1.51845   112.28697   175.00441
   17    16 S   O    _OE1    17     1.22751   123.28103     1.09486
   18    16 S   N    _N2_    18     1.38564   111.74102  -178.96127
   19    18 S   H    _HN2    19     1.01563   119.03247     4.44083
   20    18 S   CT1  _CA2    20     1.45875   122.85730   177.69064
   21    20 S   HC   _HA2    21     1.09710   108.98575    23.64774
   22    20 S   C    _C2_    22     1.52871   106.60205   -93.62548
   23    22 S   O    _O2_    23     1.23011   122.85711   -30.99065
   24    20 S   CT   _CB2    32     1.53285   112.32634   146.86551
   25    24 S   HC   HB21    33     1.09531   109.69583    54.96822
   26    24 S   HC   HB22    34     1.09410   109.80855   173.66599
   27    22 S   N    _N3_    24     1.38453   112.77346   151.72846
   28    27 S   H    _HN3    25     1.01671   120.44652    -1.26640
   29    24 S   S    _SG2    35     1.82887   110.81818   -65.01394
   30    27 S   CT   _CA3    26     1.45379   122.32342   178.87534
   31    30 S   HC   HA31    27     1.09566   107.52953   -62.38658
   32    30 S   HC   HA32    28     1.09574   107.85517    53.90094
   33    29 S   CT   _C21    36     1.88011   101.99724  -167.06010
   34    30 S   CO3  _C3_    29     1.52866   114.47327   175.92638
   35    34 S   O2Z  _O31    30     1.26311   116.08902     0.76821
   36    34 S   O2Z  _O32    31     1.26455   114.38505  -179.21267
   37    33 S   CO4  _C22    37     1.54381   109.98967    67.24417
   38    37 S   O    _O37    38     1.23586   120.86920    14.33514
   39    33 S   CT   _C20    71     1.53525   110.05830   -52.62456
   40    39 S   HC   _H4_    72     1.09602   111.70065    61.64540
   41    33 S   C    _C23    75     1.54814   104.66776  -173.75584
   42    41 S   O    _O38    76     1.22932   123.82766   115.79443
   43    37 S   CT   _C16    39     1.55766   116.54921  -172.43156
   44    43 S   OM   _O40    40     1.32352   107.27759   162.26791
   45    39 S   OH   _O39    73     1.41817   111.90003   -58.93396
   46    45 S   HO   _H16    74     0.97283   107.61367  -175.82153
   47    41 S   N    _N4_    77     1.37842   114.67109   -64.85480
   48    47 S   H    _H14    78     1.01519   122.29543     0.66617
   49    47 S   H    _H15    79     1.01378   120.50962  -179.43352
   50    43 S   CO4  _C15    41     1.53617   109.99745   -84.30769
   51    50 S   O    _O35    42     1.23320   121.19979   -46.10514
   52    50 S   CA   _C7_    43     1.50065   120.23269   132.62451
   53    52 S   CA   _C6_    44     1.39486   119.81840    18.59204
   54    53 S   CA   _C5_    45     1.42433   119.46074   174.42954
   55    53 S   CT   _C18    64     1.51317   119.49489    -3.87202
   56    55 S   HC   _H12    65     1.09713   108.42537    90.14677
   57    55 S   HC   _H13    66     1.09620   110.60743  -152.74100
   58    54 S   CA   _C10    46     1.45030   121.61994    10.55603
   59    54 S   CT   _C4_    60     1.51663   117.27596  -167.49554
   60    59 S   HC   _H5_    61     1.09341   110.76094   -96.55737
   61    59 S   HC   _H6_    62     1.09459   112.28112    24.71199
   62    59 S   HC   _H7_    63     1.09368   110.85371   139.20695
   63    43 S   CT   _C17    67     1.53704   113.42707    43.24168
   64    63 S   HC   _H3_    68     1.10320   110.25961    74.92183
   65    58 S   CA   _C9_    47     1.42920   117.18902   -10.74746
   66    63 S   CO4  _C19    69     1.53013   112.35921   -39.42746
   67    66 S   O    _O36    70     1.23055   122.85315  -135.95578
   68    65 S   CA   _C14    48     1.42960   118.66311  -175.35472
   69    52 S   CA   _C8_    57     1.40590   120.97086  -163.04252
   70    68 S   CA   _C13    49     1.39065   122.98395    -1.93280
   71    70 S   HA   _H9_    50     1.08591   121.43390  -179.80617
   72    68 S   OH   _O33    55     1.37607   120.45077   178.07970
   73    72 S   HO   _H10    56     0.97155   109.65120   179.76097
   74    69 S   OH   _O34    58     1.37865   119.84224     1.51025
   75    74 S   HO   _H11    59     0.97233   109.92340    -7.16089
   76    70 S   CA   _C12    51     1.37659   119.03888    -1.53110
   77    76 S   HA   _H8_    52     1.08773   118.81919  -177.14926
   78    58 S   CA   _C11    53     1.44365   126.65164   168.98645
   79    78 S   Cl   Cl1_    54     1.74020   124.20706    -9.73561
  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  11   5   4   3
  17   2   1   1  16   6  12   6   7   3  13   7   4   1   2   1
   1  11   4  13  16  15   9   4   3  14   5   2   1   1   3   2
  11   1   1   9   5   7   4   2   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    66    39    40    45    41    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    50    63    66    67    39    40    45    46    41    42    47    48    49  
   35    36  
   36  
    0  
   38    43    44    50    51    52    55    63    64    66    39    40    45    41    42    47  
   43    44    50    63    39    41  
   40    45    46    41    42    47    43    55    63    64    66    67  
   45    46    41    63    66    67  
   42    47    48    49    43    45    66  
   47    48    49  
   44    50    51    52    53    69    55    56    57    63    64    66    67  
   50    51    52    55    63    64    66  
   46    63    66    67  
   66  
   48    49  
   49  
    0  
   51    52    53    54    65    69    74    55    63    64    66  
   52    53    69    63  
   53    54    58    65    68    69    74    75    59    55    56    57    63  
   54    58    65    78    69    74    59    60    61    62    55    56    57    63    64    66  
   58    65    68    76    78    79    69    59    60    61    62    55    56    57    63  
   56    57    63    64    66    67    58    59    69  
   57    63    64    66  
   63    64    66  
   65    68    70    76    77    78    79    72    69    74    59    60    61    62  
   60    61    62    65    78  
   61    62  
   62  
    0  
   64    66    67  
   66    67  
   68    70    71    76    78    79    72    73    69    74    75  
   67  
    0  
   70    71    76    77    78    72    73    69    74  
   74    75    70    72    78  
   71    76    77    78    79    72    73  
   76    77    78    72  
   73    76  
    0  
   75  
    0  
   77    78    79  
   78    79  
   79  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    41   317.000  1.522
   37    38   570.000  1.229
   37    43   317.000  1.522
   43    44   570.000  1.307
   43    50   317.000  1.522
   43    63   268.000  1.529
   50    51   570.000  1.229
   50    52   310.000  1.470
   52    53   469.000  1.400
   52    69   469.000  1.400
   53    54   469.000  1.400
   53    55   317.000  1.510
   54    58   469.000  1.400
   54    59   317.000  1.510
   58    65   469.000  1.400
   58    78   469.000  1.400
   65    68   469.000  1.400
   65    69   469.000  1.400
   68    70   469.000  1.400
   68    72   450.000  1.364
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   300.000  1.725
   72    73   553.000  0.945
   69    74   450.000  1.364
   74    75   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    66   317.000  1.522
   66    67   570.000  1.229
   66    39   317.000  1.522
   39    40   340.000  1.090
   39    45   320.000  1.410
   45    46   553.000  0.945
   41    42   570.000  1.229
   41    47   490.000  1.335
   47    48   434.000  1.010
   47    49   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    43    70.00000  116.00000
   33    39    66    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    50.00000  109.50000
   33    41    42    80.00000  120.40000
   33    41    47    70.00000  116.60000
   37    43    44    90.00000  108.74100
   37    43    50    75.00000  107.99600
   37    43    63    63.00000  111.10000
   43    37    38    80.00000  120.40000
   43    50    51    80.00000  120.40000
   43    50    52    65.00000  115.47100
   43    63    55    58.35000  112.70000
   43    63    64    37.50000  110.70000
   43    63    66    63.00000  111.10000
   50    43    44    90.00000  108.74100
   50    52    53    60.00000  119.52600
   50    52    69    60.00000  119.52600
   52    50    51    75.00000  123.78400
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.00000
   52    69    65    63.00000  120.00000
   52    69    74    70.00000  120.00000
   53    54    58    63.00000  120.00000
   53    54    59    70.00000  120.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    63    70.00000  112.17500
   54    58    65    63.00000  120.00000
   54    58    78    63.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   58    65    68    63.00000  120.00000
   58    65    69    63.00000  120.00000
   58    78    76    63.00000  120.00000
   58    78    79    75.00000  120.00000
   65    68    70    63.00000  120.00000
   65    68    72    70.00000  120.00000
   65    69    74    70.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    76    63.00000  120.00000
   68    72    73    35.00000  113.00000
   70    76    77    35.00000  120.00000
   70    76    78    63.00000  120.00000
   76    70    71    35.00000  120.00000
   76    78    79    75.00000  120.00000
   78    58    65    63.00000  120.00000
   78    76    77    35.00000  120.00000
   72    68    70    70.00000  120.00000
   69    52    53    63.00000  120.00000
   69    65    68    63.00000  120.00000
   69    74    75    35.00000  113.00000
   59    54    58    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    53    54    70.00000  120.00000
   55    63    64    37.50000  110.70000
   55    63    66    63.00000  111.10000
   57    55    56    33.00000  107.80000
   63    43    44    50.00000  109.50000
   63    43    50    63.00000  111.10000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    66    67    80.00000  120.40000
   63    66    39    70.00000  116.00000
   66    63    64    35.00000  109.50000
   66    39    40    35.00000  109.50000
   66    39    45    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    66    67    80.00000  120.40000
   39    45    46    55.00000  108.50000
   45    39    40    35.00000  109.50000
   41    33    37    70.00000  107.85200
   41    33    39    63.00000  111.10000
   41    47    48    35.00000  119.80000
   41    47    49    35.00000  119.80000
   47    41    42    80.00000  122.90000
   49    47    48    35.00000  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   0.01700  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    66   0.56750  1.0 1.0
   29    33    39    66  -0.07550 -1.0 2.0
   29    33    39    66   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    47   0.00000  1.0 1.0
   33    37    43    44   0.55300  1.0 1.0
   33    37    43    44   1.25850 -1.0 2.0
   33    37    43    44  -0.23600  1.0 3.0
   33    37    43    50   0.65300  1.0 1.0
   33    37    43    50  -0.03850 -1.0 2.0
   33    37    43    50   0.33900  1.0 3.0
   33    37    43    63   0.60050  1.0 1.0
   33    37    43    63   0.05600 -1.0 2.0
   33    37    43    63   0.26150  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   33    41    47    48   2.45000 -1.0 2.0
   33    41    47    49   2.45000 -1.0 2.0
   37    33    39    66   0.11950  1.0 1.0
   37    33    39    66   0.20300 -1.0 2.0
   37    33    39    66  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    45  -0.09450  1.0 1.0
   37    33    39    45  -1.12950 -1.0 2.0
   37    33    39    45   0.54000  1.0 3.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    47   0.00000  1.0 1.0
   37    43    50    51   0.30150 -1.0 2.0
   37    43    50    52   0.65300  1.0 1.0
   37    43    50    52  -0.03850 -1.0 2.0
   37    43    50    52   0.33900  1.0 3.0
   37    43    63    55  -0.95700  1.0 1.0
   37    43    63    55  -0.18200 -1.0 2.0
   37    43    63    55   0.29450  1.0 3.0
   37    43    63    64  -0.11250  1.0 3.0
   37    43   -63    66   0.11950  1.0 1.0
   37    43   -63    66   0.20300 -1.0 2.0
   37    43   -63    66  -0.70800  1.0 3.0
   38    37    43    44   0.30150 -1.0 2.0
   38    37    43    50   0.30150 -1.0 2.0
   38    37    43    63   0.30150 -1.0 2.0
   43    50    52    53   2.26350  1.0 1.0
   43    50    52    53   0.76750 -1.0 2.0
   43    50    52    53   0.22500  1.0 3.0
   43    50    52    69   2.26350  1.0 1.0
   43    50    52    69   0.76750 -1.0 2.0
   43    50    52    69   0.22500  1.0 3.0
   43    63    66    67   0.30150 -1.0 2.0
   43    63    66    39   0.60050  1.0 1.0
   43    63    66    39   0.05600 -1.0 2.0
   43    63    66    39   0.26150  1.0 3.0
   44    43    50    51   0.30150 -1.0 2.0
   44    43    50    52   0.65300  1.0 1.0
   44    43    50    52  -0.03850 -1.0 2.0
   44    43    50    52   0.33900  1.0 3.0
   44    43    63    55   0.62750  1.0 1.0
   44    43    63    55  -0.30950 -1.0 2.0
   44    43    63    55   0.27300  1.0 3.0
   44    43    63    64   0.23400  1.0 3.0
   44    43    63    66  -0.09450  1.0 1.0
   44    43    63    66  -1.12950 -1.0 2.0
   44    43    63    66   0.54000  1.0 3.0
   50    43    63    55  -0.95700  1.0 1.0
   50    43    63    55  -0.18200 -1.0 2.0
   50    43    63    55   0.29450  1.0 3.0
   50    43    63    64  -0.11250  1.0 3.0
   50    43    63    66   0.11950  1.0 1.0
   50    43    63    66   0.20300 -1.0 2.0
   50    43    63    66  -0.70800  1.0 3.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    55   3.62500 -1.0 2.0
   50    52    69    65   3.62500 -1.0 2.0
   50    52    69    74   3.62500 -1.0 2.0
   51    50    52    53   1.05000 -1.0 2.0
   51    50    52    69   1.05000 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    54    59   3.62500 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    57   0.00000  1.0 1.0
   52    53    55    63   0.04150 -1.0 2.0
   52    69    74    75   0.84100 -1.0 2.0
   53    52    69    65   3.62500 -1.0 2.0
   53    52    69    74   3.62500 -1.0 2.0
   53    54   -58    65   3.62500 -1.0 2.0
   53    54    58    78   3.62500 -1.0 2.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    62   0.00000  1.0 1.0
   53    55   -63    43  -0.03700  1.0 1.0
   53    55   -63    43   0.37200 -1.0 2.0
   53    55   -63    43  -0.47300  1.0 3.0
   53    55    63    64   0.43200  1.0 3.0
   53    55    63    66   0.56750  1.0 1.0
   53    55    63    66  -0.07550 -1.0 2.0
   53    55    63    66   0.20000  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    63   0.04150 -1.0 2.0
   54    58    65    68   3.62500 -1.0 2.0
   54    58    65    69   3.62500 -1.0 2.0
   54    58    78    76   3.62500 -1.0 2.0
   54    58    78    79   3.62500 -1.0 2.0
   58    54    59    60   0.00000  1.0 1.0
   58    54    59    61   0.00000  1.0 1.0
   58    54    59    62   0.00000  1.0 1.0
   58    65    68    70   3.62500 -1.0 2.0
   58    65    68    72   3.62500 -1.0 2.0
   58    65   -69    52   3.62500 -1.0 2.0
   58    65    69    74   3.62500 -1.0 2.0
   65    58    78    76   3.62500 -1.0 2.0
   65    58    78    79   3.62500 -1.0 2.0
   65    68    70    71   3.62500 -1.0 2.0
   65    68   -70    76   3.62500 -1.0 2.0
   65    68    72    73   0.84100 -1.0 2.0
   65    69    74    75   0.84100 -1.0 2.0
   68    65    69    52   3.62500 -1.0 2.0
   68    65    69    74   3.62500 -1.0 2.0
   68    70    76    77   3.62500 -1.0 2.0
   68    70    76    78   3.62500 -1.0 2.0
   70    68    72    73   0.84100 -1.0 2.0
   70    76   -78    58   3.62500 -1.0 2.0
   70    76    78    79   3.62500 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   71    70    76    78   3.62500 -1.0 2.0
   77    76    78    58   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    58   -65    68   3.62500 -1.0 2.0
   78    58    65    69   3.62500 -1.0 2.0
   72    68    70    71   3.62500 -1.0 2.0
   72    68    70    76   3.62500 -1.0 2.0
   69    52   -53    54   3.62500 -1.0 2.0
   69    52    53    55   3.62500 -1.0 2.0
   69    65    68    70   3.62500 -1.0 2.0
   69    65    68    72   3.62500 -1.0 2.0
   59    54    58    65   3.62500 -1.0 2.0
   59    54    58    78   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   55    63    66    67   0.30150 -1.0 2.0
   55    63    66    39   0.60050  1.0 1.0
   55    63    66    39   0.05600 -1.0 2.0
   55    63    66    39   0.26150  1.0 3.0
   56    55    63    43   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    66  -0.11250  1.0 3.0
   57    55    63    43   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    66  -0.11250  1.0 3.0
   63    43    50    51   0.30150 -1.0 2.0
   63    43   -50    52   0.05850 -1.0 2.0
   63    43   -50    52   0.17250  1.0 3.0
   63    66   -39    33   0.60050  1.0 1.0
   63    66   -39    33   0.05600 -1.0 2.0
   63    66   -39    33   0.26150  1.0 3.0
   63    66    39    40   0.00000  1.0 1.0
   63    66    39    45   0.55300  1.0 1.0
   63    66    39    45   1.25850 -1.0 2.0
   63    66    39    45  -0.23600  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    39   0.00000  1.0 1.0
   66    39    45    46   0.91850  1.0 1.0
   66    39    45    46   0.57950  1.0 3.0
   67    66    39    33   0.30150 -1.0 2.0
   67    66    39    40   0.00000  1.0 1.0
   67    66    39    45   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.60050  1.0 1.0
   39    33   -37    43   0.05600 -1.0 2.0
   39    33   -37    43   0.26150  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    47   1.39750  1.0 1.0
   39    33    41    47  -0.07950 -1.0 2.0
   39    33    41    47  -0.18750  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    66   0.11950  1.0 1.0
   41    33    39    66   0.20300 -1.0 2.0
   41    33    39    66  -0.70800  1.0 3.0
   41    33    39    40  -0.11250  1.0 3.0
   41    33    39    45  -0.09450  1.0 1.0
   41    33    39    45  -1.12950 -1.0 2.0
   41    33    39    45   0.54000  1.0 3.0
   42    41    47    48   2.45000 -1.0 2.0
   42    41    47    49   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   43    52    50    51  10.50000 -1.0 2.0
   53    69    52    50   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   58    59    54    53   4.00000 -1.0 2.0
   65    78    58    54   4.00000 -1.0 2.0
   68    69    65    58   4.00000 -1.0 2.0
   70    72    68    65   4.00000 -1.0 2.0
   76    71    70    68   1.10000 -1.0 2.0
   78    77    76    70   1.10000 -1.0 2.0
   76    79    78    58   4.00000 -1.0 2.0
   65    74    69    52   4.00000 -1.0 2.0
   63    39    66    67  10.50000 -1.0 2.0
   33    47    41    42  10.50000 -1.0 2.0
   49    41    47    48   1.00000 -1.0 2.0
END
