* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    140    226     415
    1     0 S   NP   _N1_     1    28.37507    95.10378   -18.95449
    2     1 S   H    _HN1     2     1.02975    95.34390    42.07125
    3     1 S   H    _H1_     3     1.02818    33.98981   154.61901
    4     1 S   H    _H2_     4     1.02757    82.28440   -65.82291
    5     1 S   CT   _CA1     5     1.50232   143.19468   176.76953
    6     5 S   HC   _HA1     6     1.09594   105.05954    46.11257
    7     5 S   CO3  _C1_     7     1.53824   112.71574   -73.26440
    8     7 S   O2Z  _O11     8     1.26317   115.10562   -31.29405
    9     7 S   O2Z  _O12     9     1.26286   115.03659   147.59953
   10     5 S   CT   _CB1    10     1.53109   107.21930   163.63536
   11    10 S   HC   HB11    11     1.09815   108.97539   -52.19327
   12    10 S   HC   HB12    12     1.09763   110.34112    64.05771
   13    10 S   CT   _CG1    13     1.52920   113.00737  -173.52140
   14    13 S   HC   HG11    14     1.09507   110.23582   -67.59472
   15    13 S   HC   HG12    15     1.09660   110.04847    51.45748
   16    13 S   C    _CD1    16     1.51840   112.72728   171.49557
   17    16 S   O    _OE1    17     1.22714   123.31537    -9.17689
   18    16 S   N    _N2_    18     1.38554   111.49709   172.11312
   19    18 S   H    _HN2    19     1.01612   119.00989     0.54285
   20    18 S   CT1  _CA2    20     1.45903   123.57078   177.29383
   21    20 S   HC   _HA2    21     1.09674   109.42918   -12.36686
   22    20 S   C    _C2_    22     1.52802   106.17128  -129.64677
   23    22 S   O    _O2_    23     1.23024   122.74699   -29.87567
   24    20 S   CT   _CB2    32     1.53148   112.05166   111.36964
   25    24 S   HC   HB21    33     1.09593   110.13205    49.90328
   26    24 S   HC   HB22    34     1.09544   110.30530   168.79089
   27    22 S   N    _N3_    24     1.38428   112.82581   152.73093
   28    27 S   H    _HN3    25     1.01672   120.40847    -1.25974
   29    24 S   S    _SG2    35     1.82532   111.60794   -71.43661
   30    27 S   CT   _CA3    26     1.45373   122.34350   178.80008
   31    30 S   HC   HA31    27     1.09568   107.55198   -61.34414
   32    30 S   HC   HA32    28     1.09571   107.83296    54.93934
   33    29 S   CT   _C16    36     1.84095    99.09376   172.27590
   34    33 S   HC   _H5_    37     1.09790   106.71538    29.93090
   35    30 S   CO3  _C3_    29     1.52867   114.46374   176.89512
   36    35 S   O2Z  _O31    30     1.26313   116.09226    -0.97197
   37    35 S   O2Z  _O32    31     1.26448   114.38740   179.06623
   38    33 S   CM   _C12    38     1.53853   114.46694   -88.74624
   39    38 S   CT   _C13    39     1.51917   109.77435  -178.15009
   40    39 S   HC   _H10    40     1.09167   113.48390   179.47735
   41    39 S   HC   _H11    41     1.09883   108.37662   -63.59304
   42    38 S   CM   _C11    54     1.34944   125.75389     0.03956
   43    42 S   HC   _H9_    55     1.08297   120.33319     0.05234
   44    39 S   CT1  _C14    42     1.53037   109.95132    57.84427
   45    44 S   HC   _H3_    43     1.09896   109.66852    61.71478
   46    42 S   CG   _C10    56     1.48476   124.63358  -179.91377
   47    46 S   HC   _H8_    57     1.09304   116.77831   -11.84160
   48    44 S   NT   _N5_    44     1.47037   110.66249   -59.54853
   49    48 S   H    _H12    45     1.02234   108.88600   179.06288
   50    44 S   CO3  _C18    51     1.54622   113.63088  -178.33517
   51    50 S   O2Z  _O40    52     1.26319   116.56203    10.57406
   52    50 S   O2Z  _O39    53     1.26705   114.49969  -168.43401
   53    46 S   NIP  _N4_    58     1.29101   124.31628   169.70788
   54    33 S   CT1  _C15    46     1.54773   109.02609   147.48638
   55    54 S   HC   _H4_    47     1.09972   109.87871    59.77495
   56    53 S   CM   _C6_    59     1.40932   122.99749   178.19767
   57    54 S   CO3  _C17    48     1.55146   114.37679   -62.44534
   58    57 S   O2Z  _O38    49     1.26372   116.48260   -31.91758
   59    57 S   O2Z  _O37    50     1.26667   114.38107   148.51037
   60    56 S   CM   _C5_    60     1.33655   112.08761  -167.98120
   61    60 S   CM   _C4_    61     1.42466   123.73682   179.57387
   62    61 S   HC   _H7_    62     1.08378   119.35530  -179.22016
   63    60 S   CT   _C20    70     1.48983   111.37916    -0.84950
   64    63 S   HC   _H13    71     1.09628   110.07307   111.62054
   65    63 S   HC   _H14    72     1.09493   112.01001  -127.89801
   66    61 S   CM   _C8_    63     1.33668   117.69362     0.22029
   67    53 S   CT1  _C19    73     1.50998   129.55432     3.10690
   68    67 S   HC   _H6_    74     1.09573   108.17530    46.46692
   69    66 S   OS   _O34    64     1.42164   121.21973     0.94502
   70    66 S   CO3  _C9_    67     1.54250   122.73247  -179.39932
   71    70 S   O2Z  _O36    68     1.26545   114.98997  -178.66470
   72    70 S   O2Z  _O35    69     1.26430   116.14472     1.45777
   73    67 S   CO3  _C21    75     1.53661   108.41111   -74.99148
   74    73 S   O2Z  _O42    76     1.26311   116.21011   -64.26023
   75    73 S   O2Z  _O41    77     1.26424   114.38561   115.21601
   76    56 S   CO4  _C7_    65     1.48476   128.89137    14.61649
   77    76 S   O    _O33    66     1.22499   123.42589     1.85488
  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
  16   7   2   1   1  15  13   6   5   8   3   9   6   9   3   9
   4   3   1   1  14   4   3  13   2   1   1  13  11   4   9   4
   3   6   5   3   5   3   1   1   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    55    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    55    57    58    59    42    43    46  
   38    39    48    54    55    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    55    57    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    56    67    44    54  
   46    47    53  
   45    48    49    54    55    57    50    51    52  
   48    49    54    50    51    52  
   47    53    56    60    76    63    67    68    73  
   53    56    67  
   49    54    55    57    58    59    50    51    52  
   54    55    57    50  
   51    52    54  
   52  
    0  
   56    60    61    69    76    77    63    64    65    67    68    73    74    75  
   55    57    58    59  
   57    58    59  
   60    61    62    66    69    76    77    63    64    65    67    68    73  
   58    59  
   59  
    0  
   61    62    66    69    76    77    70    63    64    65    67    68    73  
   62    66    69    76    70    71    72    63    64    65    67  
   66    69    70    63  
   64    65    67    68    73    74    75    66    76  
   65    67    68    73  
   67    68    73  
   69    76    77    70    71    72  
   68    73    74    75    76  
   73    74    75  
   76    77    70    71    72  
   71    72    76  
   72  
    0  
   74    75  
   75  
    0  
   77  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    54   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   305.000  1.457
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   305.000  1.457
   54    55   340.000  1.090
   54    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    56   335.000  1.413
   53    67   280.000  1.462
   56    60   549.000  1.340
   56    76   320.000  1.462
   60    61   380.000  1.444
   60    63   317.000  1.510
   61    62   340.000  1.080
   61    66   549.000  1.340
   66    69   440.000  1.360
   66    70   230.000  1.545
   69    76   214.000  1.327
   76    77   570.000  1.229
   70    71   656.000  1.250
   70    72   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    73   317.000  1.522
   73    74   656.000  1.250
   73    75   656.000  1.250
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    54    75.00000  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    80.00000  111.22000
   33    54    55    37.50000  110.70000
   33    54    57    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.22000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    50.00000  111.55300
   44    48    54    51.80000  107.20000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  109.55000
   48    54    55    50.00000  109.55000
   48    54    57    75.00000  111.54000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    48    49    50.00000  111.55300
   54    57    58    70.00000  117.00000
   54    57    59    70.00000  117.00000
   57    54    55    35.00000  109.50000
   59    57    58    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  111.54000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    56    70.00000  118.46000
   46    53    67    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    56    60    70.00000  113.56000
   53    56    76    70.00000  120.00000
   53    67    63    75.00000  111.57000
   53    67    68    50.00000  106.46400
   53    67    73    75.00000  110.00000
   56    60    61    70.00000  123.01800
   56    60    63    70.00000  124.00000
   56    76    69    90.00000  111.29400
   56    76    77    80.00000  123.72100
   60    61    62    35.00000  120.00000
   60    61    66    70.00000  123.01800
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    67    70.00000  112.02700
   61    66    69    80.00000  120.01400
   61    66    70    55.00000  124.75400
   66    61    62    35.00000  120.00000
   66    69    76    90.00000  114.22900
   66    70    71    85.00000  113.83300
   66    70    72    85.00000  113.83300
   69    76    77    83.00000  123.40000
   76    56    60    65.00000  118.96000
   70    66    69    80.00000  119.00000
   72    70    71    80.00000  126.00000
   63    60    61    70.00000  124.00000
   63    67    68    37.50000  110.70000
   63    67    73    63.00000  111.10000
   65    63    64    33.00000  107.80000
   67    53    56    70.00000  121.00000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    73    74    70.00000  117.00000
   67    73    75    70.00000  117.00000
   73    67    68    35.00000  109.50000
   75    73    74    80.00000  126.00000
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    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   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    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    57  -2.17200  1.0 1.0
   29    33    54    57  -0.85700 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    57    58   0.00000  1.0 1.0
   33    54    57    59   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    57  -0.03800  1.0 3.0
   38    33    54    48   0.59950  1.0 1.0
   38    33    54    48  -0.21400 -1.0 2.0
   38    33    54    48   0.56200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    57  -0.98800  1.0 1.0
   38    33    54    57   0.48800 -1.0 2.0
   38    33    54    57   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.59950  1.0 1.0
   38    39   -44    48  -0.21400 -1.0 2.0
   38    39   -44    48   0.56200  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49  -0.15950  1.0 1.0
   39    44    48    49   0.34650 -1.0 2.0
   39    44    48    49   0.05750  1.0 3.0
   39    44    48    54   0.23450  1.0 1.0
   39    44    48    54   0.02050 -1.0 2.0
   39    44    48    54   0.25250  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   0.23450  1.0 1.0
   44    48   -54    33   0.02050 -1.0 2.0
   44    48   -54    33   0.25250  1.0 3.0
   44    48    54    55   0.28000  1.0 3.0
   44    48    54    57  -1.76800  1.0 1.0
   44    48    54    57   1.02600 -1.0 2.0
   44    48    54    57   0.19700  1.0 3.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    54   0.28000  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    54    57    58   0.30150 -1.0 2.0
   48    54    57    59   0.30150 -1.0 2.0
   49    48    54    33  -0.15950  1.0 1.0
   49    48    54    33   0.34650 -1.0 2.0
   49    48    54    33   0.05750  1.0 3.0
   49    48    54    55   0.20000  1.0 3.0
   49    48    54    57   0.21900  1.0 1.0
   49    48    54    57  -0.24900 -1.0 2.0
   49    48    54    57   0.15200  1.0 3.0
   54    33   -38    39   0.46850  1.0 1.0
   54    33   -38    39   0.08550 -1.0 2.0
   54    33   -38    39   0.09800  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   50    44    48    49   0.21900  1.0 1.0
   50    44    48    49  -0.24900 -1.0 2.0
   50    44    48    49   0.15200  1.0 3.0
   50    44    48    54  -1.76800  1.0 1.0
   50    44    48    54   1.02600 -1.0 2.0
   50    44    48    54   0.19700  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    56   2.00000 -1.0 2.0
   42    46    53    67   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    56    60   5.00000 -1.0 2.0
   46    53    56    76   5.00000 -1.0 2.0
   46    53    67    63   0.00000  1.0 1.0
   46    53    67    68  -0.22200  1.0 3.0
   46    53    67    73   0.00000  1.0 1.0
   47    46    53    56   2.00000 -1.0 2.0
   47    46    53    67   2.00000 -1.0 2.0
   53    56    60    61   7.00000 -1.0 2.0
   53    56   -60    63   7.00000 -1.0 2.0
   53    56    76    69   1.50000 -1.0 2.0
   53    56    76    77  -0.52200  1.0 1.0
   53    56    76    77   0.82950 -1.0 2.0
   53    67    73    74   0.30150 -1.0 2.0
   53    67    73    75   0.30150 -1.0 2.0
   56    53   -67    63   0.00000  1.0 1.0
   56    53    67    68   0.00000  1.0 1.0
   56    53    67    73   0.00000  1.0 1.0
   56    60    61    62  -0.18600  1.0 3.0
   56    60    61    66   0.28850  1.0 1.0
   56    60    61    66   2.61350 -1.0 2.0
   56    60    61    66   0.78400  1.0 3.0
   56    60    63    64   0.00000  1.0 1.0
   56    60    63    65   0.00000  1.0 1.0
   56    60   -63    67   0.09850  1.0 1.0
   56    60   -63    67   0.15250 -1.0 2.0
   56    60   -63    67  -0.50650  1.0 3.0
   60    56    76    69  -0.56150  1.0 1.0
   60    56    76    69   2.19150 -1.0 2.0
   60    56    76    77   1.00000 -1.0 2.0
   60    61   -66    69   7.00000 -1.0 2.0
   60    61    66    70   7.00000 -1.0 2.0
   60    63   -67    53   0.56750  1.0 1.0
   60    63   -67    53  -0.07550 -1.0 2.0
   60    63   -67    53   0.20000  1.0 3.0
   60    63    67    68   0.15000  1.0 3.0
   60    63    67    73  -0.98800  1.0 1.0
   60    63    67    73   0.48800 -1.0 2.0
   60    63    67    73   0.76800  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    65   0.00000  1.0 1.0
   61    60    63    67   0.98200  1.0 1.0
   61    60    63    67  -0.11900 -1.0 2.0
   61    60    63    67   0.24250  1.0 3.0
   61    66    69    76  -1.93650  1.0 1.0
   61    66    69    76   2.17750 -1.0 2.0
   61    66    69    76  -0.40250  1.0 3.0
   61    66    70    71  -0.04000 -1.0 2.0
   61    66    70    71  -0.29050  1.0 3.0
   61    66    70    72  -0.04000 -1.0 2.0
   61    66    70    72  -0.29050  1.0 3.0
   62    61    66    69   7.00000 -1.0 2.0
   62    61    66    70   7.00000 -1.0 2.0
   66    69   -76    56   2.00000 -1.0 2.0
   66    69    76    77   3.00000 -1.0 2.0
   69    66    70    71  -0.11900  1.0 1.0
   69    66    70    71   0.76850 -1.0 2.0
   69    66    70    71   0.14100  1.0 3.0
   69    66    70    72  -0.11900  1.0 1.0
   69    66    70    72   0.76850 -1.0 2.0
   69    66    70    72   0.14100  1.0 3.0
   76    56   -60    61   7.00000 -1.0 2.0
   76    56    60    63   7.00000 -1.0 2.0
   70    66    69    76   2.00000 -1.0 2.0
   63    60    61    62   0.00000  1.0 1.0
   63    60    61    66  -0.18600  1.0 3.0
   63    67    73    74   0.00000  1.0 1.0
   63    67    73    75   0.00000  1.0 1.0
   64    63    67    53   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    73  -0.03800  1.0 3.0
   65    63    67    53   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    73  -0.03800  1.0 3.0
   67    53   -56    60   5.00000 -1.0 2.0
   67    53    56    76   5.00000 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.00000  1.0 1.0
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   1.10000 -1.0 2.0
   58    54    57    59  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   56    67    53    46   1.00000 -1.0 2.0
   53    76    56    60   1.10000 -1.0 2.0
   61    63    60    56   1.10000 -1.0 2.0
   60    62    61    66   1.10000 -1.0 2.0
   70    69    66    61   1.10000 -1.0 2.0
   56    69    76    77  10.50000 -1.0 2.0
   71    66    70    72  10.50000 -1.0 2.0
   74    67    73    75  10.50000 -1.0 2.0
END
