* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    159    246     460
    1     0 S   NP   _N1_     1    29.00487    92.09206   -23.55262
    2     1 S   H    _HN1     2     1.02960    99.44223     9.95104
    3     1 S   H    _H1_     3     1.02836    12.45239   138.07888
    4     1 S   H    _H2_     4     1.02771   101.83472  -101.24928
    5     1 S   CT   _CA1     5     1.50173   123.09415   131.88587
    6     5 S   HC   _HA1     6     1.09563   105.18579    60.59866
    7     5 S   CO3  _C1_     7     1.53812   112.47966   -59.58609
    8     7 S   O2Z  _O11     8     1.26376   114.93138   -37.30076
    9     7 S   O2Z  _O12     9     1.26237   115.05664   141.77578
   10     5 S   CT   _CB1    10     1.53101   107.41506   178.74010
   11    10 S   HC   HB11    11     1.09826   109.48602   -47.80204
   12    10 S   HC   HB12    12     1.09820   110.33201    68.83855
   13    10 S   CT   _CG1    13     1.52992   112.68774  -168.78014
   14    13 S   HC   HG11    14     1.09590   110.52889   -64.15063
   15    13 S   HC   HG12    15     1.09653   109.91536    55.10632
   16    13 S   C    _CD1    16     1.51824   112.32214   175.64189
   17    16 S   O    _OE1    17     1.22715   123.31496     3.05204
   18    16 S   N    _N2_    18     1.38611   111.59348  -177.35840
   19    18 S   H    _HN2    19     1.01584   118.94697     2.24786
   20    18 S   CT1  _CA2    20     1.46242   123.49574  -177.47764
   21    20 S   HC   _HA2    21     1.09728   109.44171    -9.60906
   22    20 S   C    _C2_    22     1.53386   108.39795  -125.39121
   23    22 S   O    _O2_    23     1.23016   122.21755  -145.64909
   24    20 S   CT   _CB2    32     1.53434   111.18376   112.43947
   25    24 S   HC   HB21    33     1.09467   109.58370    56.58873
   26    24 S   HC   HB22    34     1.09533   110.48973   175.02354
   27    22 S   N    _N3_    24     1.38499   113.39960    41.70446
   28    27 S   H    _HN3    25     1.01521   118.93351    -0.58751
   29    24 S   S    _SG2    35     1.82728   111.35967   -65.72904
   30    27 S   CT   _CA3    26     1.45446   123.45120   175.12203
   31    30 S   HC   HA31    27     1.09522   109.26457    24.16366
   32    30 S   HC   HA32    28     1.09497   107.12608   141.16732
   33    29 S   S    _S2_    36     2.05489   102.85010   157.16404
   34    30 S   CO3  _C3_    29     1.52916   113.04904   -99.32883
   35    34 S   O2Z  _O31    30     1.26406   115.37105   -45.63184
   36    34 S   O2Z  _O32    31     1.26348   115.00656   135.28138
   37    33 S   CT   _C5_    37     1.86534   106.96378   -92.43863
   38    37 S   C    _C6_    38     1.54411   109.95985   -59.32662
   39    38 S   O    _O33    39     1.23240   122.00992    73.22898
   40    37 S   N    _N6_    73     1.49738   108.90906   178.54720
   41    37 S   CT   _C4_    82     1.54447   109.96349    57.21355
   42    41 S   HC   _H5_    83     1.09553   112.46448    54.54652
   43    41 S   HC   _H6_    84     1.09433   112.95625   -67.54821
   44    41 S   HC   _H7_    85     1.09757   110.21694   174.27659
   45    38 S   N    _N4_    40     1.38247   114.89978  -106.94087
   46    40 S   CT   _C21    74     1.46342   118.60296   -83.27171
   47    46 S   HC   _H18    75     1.09302   109.35481   -66.49094
   48    46 S   HC   _H19    76     1.09324   111.88747   174.37629
   49    46 S   HC   _H20    77     1.09338   109.41751    54.21818
   50    45 S   CP1  _C7_    41     1.46574   123.32210  -164.25479
   51    50 S   HC   _H3_    42     1.09781   109.42916   -48.20014
   52    50 S   CT   _C8_    43     1.55424   105.23319  -169.42603
   53    50 S   NE   _N5_    52     1.47580   112.60852    75.18524
   54    52 S   CA   _C9_    44     1.49796   101.90066  -137.00404
   55    53 S   CT   _C15    53     1.44758   122.39503   -81.80730
   56    55 S   HC   _H9_    54     1.08962   112.03180    30.76111
   57    55 S   HC   _H10    55     1.09515   110.90531   -89.19043
   58    55 S   HC   _H11    56     1.09357   111.16885   149.06462
   59    52 S   CT   _C18    67     1.54846   104.82499   -16.46462
   60    59 S   HC   _H4_    68     1.09683   111.44496   152.37276
   61    52 S   OH   _O38    80     1.42078   110.47744   104.33006
   62    61 S   HO   _H22    81     0.97218   108.50749    74.86273
   63    54 S   CA   _C10    45     1.38935   127.45788  -170.01383
   64    63 S   HA   _H8_    46     1.08568   120.28560     1.08534
   65    45 S   CT   _C19    69     1.46191   122.43335    30.58394
   66    65 S   SM   _S1_    70     1.84954   114.07719    70.33562
   67    59 S   OH   _O37    78     1.43437   110.16124   -89.33058
   68    67 S   HO   _H21    79     0.97369   107.09409  -175.30047
   69    63 S   CA   _C11    47     1.39262   118.25529  -178.75951
   70    69 S   Cl   Cl1_    48     1.72678   118.54057  -179.90935
   71    65 S   C    _C20    71     1.53062   109.29588   -51.65920
   72    71 S   O    _O36    72     1.23519   120.64895  -156.50070
   73    69 S   CA   _C12    49     1.40404   120.22245     0.26541
   74    73 S   CA   _C13    50     1.40790   120.50354     2.58437
   75    73 S   OS   _O35    62     1.37443   119.28679   179.00850
   76    54 S   CA   _C14    51     1.40211   109.65092    11.97872
   77    74 S   OS   _O34    57     1.36973   119.54677   177.16621
   78    75 S   CT   _C17    63     1.42845   110.36976   100.92676
   79    78 S   HC   _H15    64     1.09408   107.74393  -172.84174
   80    78 S   HC   _H16    65     1.09472   111.25996    69.02864
   81    78 S   HC   _H17    66     1.09580   111.50140   -54.51086
   82    77 S   CT   _C16    58     1.42903   110.14321   -85.12050
   83    82 S   HC   _H12    59     1.09406   107.73759  -174.31080
   84    82 S   HC   _H13    60     1.09492   111.24841    67.51358
   85    82 S   HC   _H14    61     1.09590   111.44190   -56.00246
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  16  16   5  14   6   2   1   1  15   6   3   2
   1  19   8  17  13  15   5   3   2   1  11   6   5   1   7   4
   5   3   2   1   7   3   1   1   9   8   6   2   4   3   2   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    71    40    46    41    42    43    44  
   35    36  
   36  
    0  
   38    39    45    50    65    71    72    40    46    47    48    49    41    42    43    44  
   39    45    50    51    52    53    59    65    66    71    40    46    41    42    43    44  
   45    50    65    40    41  
   46    47    48    49    41    42    43    44    45    59    65    66    71    72  
   42    43    44    45    46    71  
   43    44  
   44  
    0  
   50    51    52    54    76    53    55    59    60    65    66    71    72    67    61  
   47    48    49    65    71    72  
   48    49    71  
   49    71  
   71  
   51    52    54    63    74    76    53    55    56    57    58    59    60    65    66    71    67    61    62  
   52    54    76    53    55    59    65    61  
   54    63    64    69    74    76    53    55    59    60    65    66    71    67    68    61    62  
   55    56    57    58    77    59    65    61    54    63    73    74    76  
   63    64    69    70    73    74    76    55    77    59    60    65    67    61    62  
   56    57    58    74    76  
   57    58    76  
   58    76  
   76  
   60    65    66    71    72    67    68    61    62    63    76  
   65    66    71    67    68    61  
   62    63    65    67    76  
    0  
   64    69    70    73    74    76    75  
   69    70    73    76  
   66    71    72    67    68  
   71    72    67  
   68    71  
    0  
   70    73    74    76    77    75    78  
   73    74    75  
   72  
    0  
   74    76    77    82    75    78    79    80    81  
   76    77    82    83    84    85    75    78  
   78    79    80    81    76    77  
   77    82  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   3.5000   0.0660   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   46   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.132500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.022500   1.9750   1.7500   0.005000000  -0.741685710
   66   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   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    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   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    40   337.000  1.449
   37    41   268.000  1.529
   38    39   570.000  1.229
   38    45   490.000  1.335
   45    50   337.000  1.449
   45    65   337.000  1.449
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    53   382.000  1.448
   52    54   317.000  1.510
   52    59   268.000  1.529
   52    61   320.000  1.410
   54    63   469.000  1.400
   54    76   469.000  1.400
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   300.000  1.725
   69    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    53   481.000  1.340
   53    55   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   77    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   75    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   320.000  1.410
   65    66   222.000  1.810
   65    71   317.000  1.522
   71    72   570.000  1.229
   71    40   490.000  1.335
   40    46   337.000  1.449
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   67    68   553.000  0.945
   61    62   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    40    80.00000  108.62000
   33    37    41    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    45    70.00000  116.60000
   37    40    71    50.00000  121.90000
   37    40    46    50.00000  118.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    44    37.50000  110.70000
   38    45    50    50.00000  121.90000
   38    45    65    50.00000  121.90000
   45    38    39    80.00000  122.90000
   45    50    51    35.00000  109.50000
   45    50    52    80.00000  109.70000
   45    50    53    90.00000  107.82800
   45    65    59    70.00000  110.72300
   45    65    66    80.00000  108.62000
   45    65    71    75.00000  110.24000
   50    52    54    70.00000  112.17500
   50    52    59    58.35000  112.70000
   50    52    61    50.00000  109.50000
   50    53    76    50.00000  120.00000
   50    53    55    50.00000  115.00000
   52    50    51    37.50000  110.70000
   52    54    63    70.00000  120.00000
   52    54    76    70.00000  120.00000
   52    59    60    37.50000  110.70000
   52    59    65    58.35000  112.70000
   52    59    67    50.00000  109.50000
   52    61    62    55.00000  108.50000
   54    63    64    35.00000  120.00000
   54    63    69    63.00000  120.00000
   54    76    74    63.00000  120.00000
   54    76    53    70.00000  120.10000
   63    69    70    75.00000  120.00000
   63    69    73    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    73    74    63.00000  120.00000
   69    73    75    70.00000  120.00000
   73    69    70    75.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    78    75.00000  111.00000
   74    76    53    70.00000  120.10000
   74    77    82    75.00000  111.00000
   76    54    63    63.00000  120.00000
   76    53    55    50.00000  120.00000
   53    50    51    35.00000  109.50000
   53    50    52    80.00000  111.61500
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   77    74    76    70.00000  120.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   59    52    54    70.00000  112.17500
   59    65    66    75.00000  111.63000
   59    65    71    63.00000  111.10000
   59    67    68    55.00000  108.50000
   65    45    50    50.00000  118.00000
   65    59    60    37.50000  110.70000
   65    71    72    80.00000  120.40000
   65    71    40    70.00000  116.60000
   71    65    66    70.00000  112.33000
   71    40    46    50.00000  121.90000
   40    37    38    75.00000  110.24000
   40    71    72    80.00000  122.90000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    65    50.00000  109.50000
   61    52    54    90.00000  112.51600
   61    52    59    50.00000  109.50000
   41    37    38    63.00000  111.10000
   41    37    40    70.00000  110.72300
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    40   0.00000  1.0 1.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    45   0.00000  1.0 1.0
   33    37    40    71  -0.42300  1.0 1.0
   33    37    40    71  -0.07000 -1.0 2.0
   33    37    40    71   0.04150  1.0 3.0
   33    37    40    46   0.17850 -1.0 2.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    43   0.15000  1.0 3.0
   33    37    41    44   0.15000  1.0 3.0
   37    38    45    50   1.15000  1.0 1.0
   37    38    45    50   3.04450 -1.0 2.0
   37    38    45    65   1.49850  1.0 1.0
   37    38    45    65   1.53950 -1.0 2.0
   37    40    46    47   0.00000  1.0 1.0
   37    40    46    48   0.00000  1.0 1.0
   37    40    46    49   0.00000  1.0 1.0
   38    37    40    71  -0.42300  1.0 1.0
   38    37    40    71  -0.07000 -1.0 2.0
   38    37    40    71   0.04150  1.0 3.0
   38    37    40    46   0.17850 -1.0 2.0
   38    37    41    42  -0.11250  1.0 3.0
   38    37    41    43  -0.11250  1.0 3.0
   38    37    41    44  -0.11250  1.0 3.0
   38    45    50    51   0.00000  1.0 1.0
   38    45    50    52   0.25950  1.0 1.0
   38    45    50    52   0.43850 -1.0 2.0
   38    45    50    52   2.61650  1.0 3.0
   38    45    50    53  -0.50000 -1.0 2.0
   38    45    65    59  -0.43950  1.0 1.0
   38    45    65    59  -0.08100 -1.0 2.0
   38    45    65    59   0.03350  1.0 3.0
   38    45    65    66  -0.42300  1.0 1.0
   38    45    65    66  -0.07000 -1.0 2.0
   38    45    65    66   0.04150  1.0 3.0
   38    45   -65    71  -0.42300  1.0 1.0
   38    45   -65    71  -0.07000 -1.0 2.0
   38    45   -65    71   0.04150  1.0 3.0
   39    38    45    50   3.04450 -1.0 2.0
   39    38    45    65   3.04450 -1.0 2.0
   45    50    52    54   0.08550  1.0 1.0
   45    50    52    54   1.07500 -1.0 2.0
   45    50    52    54  -0.10950  1.0 3.0
   45    50   -52    59   0.42250  1.0 1.0
   45    50   -52    59  -0.48100 -1.0 2.0
   45    50   -52    59   0.35650  1.0 3.0
   45    50    52    61   2.76900  1.0 1.0
   45    50    52    61  -0.24350 -1.0 2.0
   45    50    52    61  -0.78250  1.0 3.0
   45    50    53    76  -0.12500  1.0 1.0
   45    50    53    76  -0.12500 -1.0 2.0
   45    50    53    76   0.25000  1.0 3.0
   45    50    53    55   0.00000  1.0 1.0
   45    65    71    72   0.30150 -1.0 2.0
   45    65    71    40   0.00000  1.0 1.0
   50    45   -65    59  -0.05900 -1.0 2.0
   50    45    65    66   0.17850 -1.0 2.0
   50    45    65    71   0.17850 -1.0 2.0
   50    52    54    63   0.04150 -1.0 2.0
   50    52   -54    76   0.04150 -1.0 2.0
   50    52    59    60   0.15000  1.0 3.0
   50    52   -59    65   0.56750  1.0 1.0
   50    52   -59    65  -0.07550 -1.0 2.0
   50    52   -59    65   0.20000  1.0 3.0
   50    52    59    67   0.86500  1.0 1.0
   50    52    59    67  -0.17500 -1.0 2.0
   50    52    59    67   0.20800  1.0 3.0
   50    52    61    62  -0.11600  1.0 1.0
   50    52    61    62  -0.09450 -1.0 2.0
   50    52    61    62   0.21250  1.0 3.0
   50    53    55    56   0.00000  1.0 1.0
   50    53    55    57   0.00000  1.0 1.0
   50    53    55    58   0.00000  1.0 1.0
   51    50    52    54   0.43200  1.0 3.0
   51    50    52    59   0.15000  1.0 3.0
   51    50    52    61   0.23400  1.0 3.0
   51    50    53    76   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   52    50   -53    76  -0.12500  1.0 1.0
   52    50   -53    76  -0.12500 -1.0 2.0
   52    50   -53    76   0.25000  1.0 3.0
   52    50    53    55   0.00000  1.0 1.0
   52    54    63    64   3.62500 -1.0 2.0
   52    54    63    69   3.62500 -1.0 2.0
   52    54    76    74   3.62500 -1.0 2.0
   52    54   -76    53   3.62500 -1.0 2.0
   52    59   -65    45   0.43900  1.0 1.0
   52    59   -65    45   0.49100 -1.0 2.0
   52    59   -65    45   0.28400  1.0 3.0
   52    59    65    66   0.44750  1.0 1.0
   52    59    65    66  -0.17800 -1.0 2.0
   52    59    65    66   0.20200  1.0 3.0
   52    59    65    71  -0.95700  1.0 1.0
   52    59    65    71  -0.18200 -1.0 2.0
   52    59    65    71   0.29450  1.0 3.0
   52    59    67    68  -0.11600  1.0 1.0
   52    59    67    68  -0.09450 -1.0 2.0
   52    59    67    68   0.21250  1.0 3.0
   54    52    59    60   0.43200  1.0 3.0
   54    52    59    65  -0.03700  1.0 1.0
   54    52    59    65   0.37200 -1.0 2.0
   54    52    59    65  -0.47300  1.0 3.0
   54    52    59    67   1.13150  1.0 1.0
   54    52    59    67  -1.01400 -1.0 2.0
   54    52    61    62   0.31900  1.0 1.0
   54    52    61    62  -0.11800 -1.0 2.0
   54    52    61    62   0.38750  1.0 3.0
   54    63    69    70   3.62500 -1.0 2.0
   54    63    69    73   3.62500 -1.0 2.0
   54    76   -53    50  -1.00000  1.0 1.0
   54    76   -53    50   1.25000 -1.0 2.0
   54    76    53    55  -1.00000  1.0 1.0
   54    76    53    55   1.25000 -1.0 2.0
   63    54    76    74   3.62500 -1.0 2.0
   63    54    76    53   3.62500 -1.0 2.0
   63    69   -73    74   3.62500 -1.0 2.0
   63    69    73    75   3.62500 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    73   3.62500 -1.0 2.0
   69    73    74    76   3.62500 -1.0 2.0
   69    73    74    77   3.62500 -1.0 2.0
   69    73    75    78   1.63200 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    74   -76    54   3.62500 -1.0 2.0
   73    74    76    53   3.62500 -1.0 2.0
   73    74    77    82   1.63200 -1.0 2.0
   73    75    78    79   0.08050  1.0 3.0
   73    75    78    80   0.08050  1.0 3.0
   73    75    78    81   0.08050  1.0 3.0
   74    73    75    78   1.63200 -1.0 2.0
   74    76    53    50  -1.00000  1.0 1.0
   74    76    53    50   1.25000 -1.0 2.0
   74    76    53    55  -1.00000  1.0 1.0
   74    76    53    55   1.25000 -1.0 2.0
   74    77    82    83   0.08050  1.0 3.0
   74    77    82    84   0.08050  1.0 3.0
   74    77    82    85   0.08050  1.0 3.0
   76    54    63    64   3.62500 -1.0 2.0
   76    54   -63    69   3.62500 -1.0 2.0
   76    74    77    82   1.63200 -1.0 2.0
   76    53    55    56   0.00000  1.0 1.0
   76    53    55    57   0.00000  1.0 1.0
   76    53    55    58   0.00000  1.0 1.0
   53    50   -52    54   0.08550  1.0 1.0
   53    50   -52    54   1.07500 -1.0 2.0
   53    50   -52    54  -0.10950  1.0 3.0
   53    50    52    59   1.26750  1.0 1.0
   53    50    52    59  -0.00950 -1.0 2.0
   53    50    52    59   0.30600  1.0 3.0
   53    50    52    61   4.07950  1.0 1.0
   53    50    52    61  -0.26450 -1.0 2.0
   53    50    52    61  -0.12150  1.0 3.0
   77    74    76    54   3.62500 -1.0 2.0
   77    74    76    53   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   59    52    54    63   0.04150 -1.0 2.0
   59    52    54    76   0.04150 -1.0 2.0
   59    52    61    62  -0.11600  1.0 1.0
   59    52    61    62  -0.09450 -1.0 2.0
   59    52    61    62   0.21250  1.0 3.0
   59    65    71    72   0.30150 -1.0 2.0
   59    65    71    40   1.39750  1.0 1.0
   59    65    71    40  -0.07950 -1.0 2.0
   59    65    71    40  -0.18750  1.0 3.0
   60    59    65    45   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71  -0.11250  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    45    50    51   0.00000  1.0 1.0
   65    45   -50    52  -0.05900 -1.0 2.0
   65    45    50    53   0.17850 -1.0 2.0
   65    59    67    68  -0.11600  1.0 1.0
   65    59    67    68  -0.09450 -1.0 2.0
   65    59    67    68   0.21250  1.0 3.0
   65    71   -40    37   1.49850  1.0 1.0
   65    71   -40    37   1.53950 -1.0 2.0
   65    71    40    46   1.49850  1.0 1.0
   65    71    40    46   1.53950 -1.0 2.0
   66    65    71    72   0.30150 -1.0 2.0
   66    65    71    40   0.00000  1.0 1.0
   71    40    46    47   0.00000  1.0 1.0
   71    40    46    48   0.00000  1.0 1.0
   71    40    46    49   0.00000  1.0 1.0
   72    71    40    37   3.04450 -1.0 2.0
   72    71    40    46   3.04450 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37   -38    45   0.00000  1.0 1.0
   40    37    41    42   0.15000  1.0 3.0
   40    37    41    43   0.15000  1.0 3.0
   40    37    41    44   0.15000  1.0 3.0
   67    59    65    45   2.76900  1.0 1.0
   67    59    65    45  -0.24350 -1.0 2.0
   67    59    65    45  -0.78250  1.0 3.0
   67    59    65    66   0.56750  1.0 1.0
   67    59    65    66  -0.07550 -1.0 2.0
   67    59    65    66   0.20000  1.0 3.0
   67    59    65    71  -0.09450  1.0 1.0
   67    59    65    71  -1.12950 -1.0 2.0
   67    59    65    71   0.54000  1.0 3.0
   61    52    54    63   0.14300 -1.0 2.0
   61    52    54    63   0.00300  1.0 3.0
   61    52    54    76   0.14300 -1.0 2.0
   61    52    54    76   0.00300  1.0 3.0
   61    52    59    60   0.23400  1.0 3.0
   61    52    59    65   0.86500  1.0 1.0
   61    52    59    65  -0.17500 -1.0 2.0
   61    52    59    65   0.20800  1.0 3.0
   61    52    59    67   3.75450  1.0 1.0
   41    37    38    39   0.30150 -1.0 2.0
   41    37    38    45   1.39750  1.0 1.0
   41    37    38    45  -0.07950 -1.0 2.0
   41    37    38    45  -0.18750  1.0 3.0
   41    37    40    71  -0.43950  1.0 1.0
   41    37    40    71  -0.08100 -1.0 2.0
   41    37    40    71   0.03350  1.0 3.0
   41    37    40    46  -0.05900 -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
   37    45    38    39  10.50000 -1.0 2.0
   65    38    45    50   1.00000 -1.0 2.0
   63    76    54    52   4.00000 -1.0 2.0
   69    64    63    54   1.10000 -1.0 2.0
   73    70    69    63   4.00000 -1.0 2.0
   74    75    73    69   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   74    53    76    54   4.00000 -1.0 2.0
   55    76    53    50   1.00000 -1.0 2.0
   65    40    71    72  10.50000 -1.0 2.0
   46    71    40    37   1.00000 -1.0 2.0
END
