* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    167    249     472
    1     0 S   NP   _N1_     1    28.92991    97.55337   -21.19935
    2     1 S   H    _HN1     2     1.02772    86.45391   -77.17031
    3     1 S   H    _H1_     3     1.02956    72.15901    33.43158
    4     1 S   H    _H2_     4     1.02823    49.93305   165.72324
    5     1 S   CT   _CA1     5     1.50108   157.99588   133.65843
    6     5 S   HC   _HA1     6     1.09582   105.18981    84.80475
    7     5 S   CO3  _C1_     7     1.53795   112.56752   -35.25829
    8     7 S   O2Z  _O11     8     1.26357   114.98229   -40.15366
    9     7 S   O2Z  _O12     9     1.26252   114.92591   138.99990
   10     5 S   CT   _CB1    10     1.53096   107.40398  -157.33112
   11    10 S   HC   HB11    11     1.09818   109.25353   -51.35616
   12    10 S   HC   HB12    12     1.09813   110.46930    65.24419
   13    10 S   CT   _CG1    13     1.52907   112.56741  -172.48898
   14    13 S   HC   HG11    14     1.09544   110.29308   -66.65553
   15    13 S   HC   HG12    15     1.09657   109.89519    52.58894
   16    13 S   C    _CD1    16     1.51713   112.61100   172.96140
   17    16 S   O    _OE1    17     1.22710   123.35671     0.59479
   18    16 S   N    _N2_    18     1.38684   111.51879  -179.13340
   19    18 S   H    _HN2    19     1.01561   119.01303     1.04568
   20    18 S   CT1  _CA2    20     1.46144   123.35572   178.02266
   21    20 S   HC   _HA2    21     1.09729   109.37631    -2.82376
   22    20 S   C    _C2_    22     1.53506   108.55238  -118.42407
   23    22 S   O    _O2_    23     1.23051   122.23216  -149.74465
   24    20 S   CT   _CB2    32     1.53552   111.66889   119.24939
   25    24 S   HC   HB21    33     1.09437   109.33526    58.00296
   26    24 S   HC   HB22    34     1.09324   109.49698   176.70129
   27    22 S   N    _N3_    24     1.38310   113.69143    37.55154
   28    27 S   H    _HN3    25     1.01614   119.51676    -3.12117
   29    24 S   S    _SG2    35     1.83028   111.10634   -63.10123
   30    27 S   CT   _CA3    26     1.45285   123.21381   177.34325
   31    30 S   HC   HA31    27     1.09547   107.47793   -65.78058
   32    30 S   HC   HA32    28     1.09558   108.02508    50.66804
   33    29 S   CT   _C10    36     1.87387   102.75532   179.22595
   34    30 S   CO3  _C3_    29     1.52951   114.07849   172.71048
   35    34 S   O2Z  _O31    30     1.26372   116.05530     0.05595
   36    34 S   O2Z  _O32    31     1.26426   114.41556  -179.88465
   37    33 S   CT   _C11    37     1.56359   108.47661   -52.11027
   38    37 S   HC   _H13    38     1.09591   110.98724   -31.94048
   39    37 S   HC   _H14    39     1.09602   110.37567    85.27544
   40    33 S   CT   _C22    85     1.55209   107.43728    66.93293
   41    40 S   HC   _H22    86     1.09616   111.08303    55.52832
   42    40 S   HC   _H23    87     1.09543   111.14848   -65.15220
   43    37 S   S    _S1_    40     1.83334   116.83577  -153.06491
   44    40 S   OS   _O41    88     1.44048   110.27324   176.09049
   45    43 S   C4T  _C12    41     1.83478    99.16847    56.66898
   46    45 S   HC   _H5_    42     1.09510   113.13998  -149.03991
   47    44 S   CO4  _C23    89     1.36131   115.95233  -175.97883
   48    47 S   O    _O42    90     1.22497   125.49942    -0.09487
   49    45 S   C4T  _C14    43     1.54750   117.31511    75.53741
   50    49 S   HC   _H6_    44     1.09695   113.36019   142.66929
   51    45 S   N4   _N4_    47     1.46502   110.48056   -22.39205
   52    47 S   N    _N7_    91     1.36833   110.20916   179.92338
   53    52 S   H    _H24    92     1.01337   120.99710   179.97202
   54    52 S   H    _H25    93     1.01329   121.11698     0.16193
   55    49 S   C4   _C13    45     1.54564    85.12517  -104.84902
   56    55 S   O    _O37    46     1.20957   135.55796   168.34651
   57    33 S   CT1  _C9_    48     1.56674   109.31193  -173.33582
   58    57 S   HC   _H4_    49     1.09951   109.31347  -154.95715
   59    49 S   N    _N5_    66     1.47486   117.08806    10.71930
   60    59 S   H    _H15    67     1.01751   119.52239    -0.16071
   61    57 S   CO4  _C8_    50     1.52825   117.94485   -37.05783
   62    61 S   O    _O36    51     1.22334   125.57262   109.78088
   63    59 S   C    _C15    68     1.37875   122.47745  -179.46808
   64    63 S   O    _O38    69     1.22029   128.31807    -2.42051
   65    61 S   OS   _O35    52     1.36570   109.19729   -70.27958
   66    63 S   CD   _C16    70     1.50331   112.74948   176.87789
   67    65 S   CO   _C5_    53     1.44114   116.18613   179.38738
   68    67 S   HC   _H3_    54     1.09777   108.82301   -50.83964
   69    66 S   C5A  _C18    71     1.43610   115.94497   -95.08664
   70    66 S   NI   _N6_    79     1.29670   122.43020    84.37313
   71    67 S   CT   _C4_    55     1.52234   106.79679  -169.45794
   72    71 S   HC   _H7_    56     1.09596   110.49314   -61.46951
   73    71 S   HC   _H8_    57     1.09406   111.44984   179.21665
   74    71 S   HC   _H9_    58     1.09472   110.85199    57.44607
   75    67 S   OS   _O33    59     1.43895   110.67332    71.89027
   76    69 S   C5BC _C19    72     1.38284   132.55464    -2.22704
   77    76 S   HA   _H19    73     1.08155   126.40982    -0.42521
   78    70 S   OS   _O39    80     1.40208   111.25956     0.59807
   79    75 S   CO4  _C6_    60     1.36207   116.78422  -156.54712
   80    79 S   O    _O34    61     1.22314   126.42809    -1.07865
   81    76 S   C5BC _C20    74     1.41555   106.70995  -179.75371
   82    81 S   HA   _H20    75     1.08014   127.69696   179.27261
   83    78 S   CT   _C17    81     1.41979   108.15074   179.72660
   84    83 S   HC   _H16    82     1.09316   108.46717  -180.00000
   85    83 S   HC   _H17    83     1.09443   110.33110    60.99555
   86    83 S   HC   _H18    84     1.09442   110.34090   -60.97184
   87    79 S   CT   _C7_    62     1.49842   109.51048   179.11001
   88    87 S   HC   _H10    63     1.09294   109.83166   -60.38568
   89    87 S   HC   _H11    64     1.09287   109.82873    61.53147
   90    87 S   HC   _H12    65     1.09380   109.36374  -179.38547
   91    81 S   C5A  _C21    76     1.37331   106.11733    -0.33746
   92    91 S   HA   _H21    77     1.08028   133.78989   179.91153
   93    69 S   OA   _O40    78     1.36842   118.09916   177.63346
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   6  12   6   4   3
  10   6   8   2   1   1   7   2   5   3   6   3   6   2   7   3
   8   9   9   6   9   7   5   3   2   1   6   6   4   4   5   4
   4   3   3   2   1   1   3   2   1   1   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    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    57    58    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    55    51    57    58    61    62    65    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    57    58    61    40    41    42    44  
   39    43    45    57    40  
   43    45    57    40  
   41    42    44    47    48    52    43    51    57    58    61  
   42    44    47    57  
   44    47    57  
   45    46    49    50    55    51    57    59  
   47    48    52    53    54    57  
   46    49    50    55    56    51    57    58    61    59    60    63  
   49    50    55    51    57    59  
   48    52    53    54  
   52    53    54  
   50    55    56    51    57    59    60    63    64    66  
   55    56    51    59    60    63  
   57    58    61    62    65    59    55    56  
   53    54  
   54  
    0  
   56    57    58    61    59    60    63  
   57    59  
   58    61    62    65    67  
   61    62    65  
   60    63    64    66    69    70  
   63    64    66  
   62    65    67    68    71    75  
   65    67  
   64    66    69    76    93    70    78  
   66    69    70  
   67    68    71    72    73    74    75    79  
   69    76    77    81    91    93    70    78    83  
   68    71    72    73    74    75    79    80    87  
   71    72    73    74    75    79  
   76    77    81    82    91    92    93    70    78  
   78    83    84    85    86    76    93  
   72    73    74    75    79  
   73    74    75  
   74    75  
   75  
   79    80    87    88    89    90  
   77    81    82    91    92    93  
   81    82    91    93  
   83    84    85    86  
   80    87    88    89    90  
   87    88    89    90  
   82    91    92    93  
   91    92    93  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
   92    93  
   93  
    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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   54   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.242800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.123000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   93   2.9000   0.1400  -0.190000   1.6450   1.4500   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    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   268.000  1.529
   33    57   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    55   250.000  1.540
   49    59   337.000  1.449
   55    56   930.000  1.212
   55    51   440.000  1.369
   51    57   337.000  1.449
   57    58   340.000  1.090
   57    61   255.000  1.522
   61    62   570.000  1.229
   61    65   214.000  1.327
   65    67   320.000  1.380
   67    68   340.000  1.090
   67    71   250.000  1.527
   67    75   320.000  1.380
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    79   214.000  1.327
   79    80   570.000  1.229
   79    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   59    60   434.000  1.010
   59    63   490.000  1.335
   63    64   570.000  1.229
   63    66   270.000  1.486
   66    69   340.000  1.446
   66    70   500.000  1.261
   69    76   546.000  1.367
   69    93   340.000  1.360
   76    77   367.000  1.080
   76    81   469.000  1.424
   81    82   367.000  1.080
   81    91   546.000  1.367
   91    92   367.000  1.080
   91    93   340.000  1.360
   70    78   320.000  1.394
   78    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    52   435.000  1.380
   52    53   434.000  1.010
   52    54   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  111.63000
   29    33    57    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    57    51    80.00000  109.70000
   33    57    58    37.50000  110.70000
   33    57    61    70.00000  110.61500
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    55   100.00000   86.36000
   45    49    59    80.00000  110.05700
   45    51    55   100.00000   93.00000
   45    51    57    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    55    56    60.00000  136.58000
   49    55    51    95.00000   92.72400
   49    59    60    38.00000  118.40000
   49    59    63    50.00000  121.90000
   55    49    50    40.00000  113.37500
   55    51    57    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    55    56    75.00000  131.60000
   51    57    58    35.00000  109.50000
   51    57    61    80.00000  110.29000
   57    33    37    58.35000  112.70000
   57    61    62    75.00000  123.42600
   57    61    65    90.00000  109.72300
   61    57    58    45.00000  110.09800
   61    65    67    95.00000  111.08000
   65    61    62    83.00000  123.40000
   65    67    68    35.00000  109.50000
   65    67    71    90.00000  108.56700
   65    67    75    92.60000  111.55000
   67    71    72    45.00000  108.72000
   67    71    73    45.00000  108.72000
   67    71    74    45.00000  108.72000
   67    75    79    95.00000  111.08000
   71    67    68    45.00000  112.01100
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    67    68    35.00000  109.50000
   75    67    71    90.00000  108.56700
   75    79    80    83.00000  123.40000
   75    79    87    81.00000  111.40000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   87    79    80    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   59    49    50    50.00000  112.01000
   59    49    55    75.00000  110.24000
   59    63    64    80.00000  122.90000
   59    63    66    75.00000  109.57000
   63    59    60    35.00000  119.80000
   63    66    69    75.00000  114.44000
   63    66    70    65.00000  123.79500
   66    63    64    80.00000  120.45000
   66    69    76    50.00000  135.19500
   66    69    93    85.00000  115.13500
   66    70    78   100.00000  109.52600
   69    76    77    35.00000  125.70000
   69    76    81    70.00000  107.30000
   69    93    91    70.00000  106.50000
   76    81    82    35.00000  127.50000
   76    81    91    70.00000  107.30000
   81    76    77    35.00000  127.50000
   81    91    92    35.00000  132.10000
   81    91    93    70.00000  110.60000
   91    81    82    35.00000  125.70000
   93    69    76    70.00000  110.60000
   93    91    92    35.00000  113.40000
   70    66    69    70.00000  124.86800
   70    78    83   110.00000  106.71400
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    57    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    52   110.00000  108.75700
   47    52    53    50.00000  116.34900
   47    52    54    50.00000  116.34900
   52    47    48    85.00000  125.96000
   54    52    53    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    57    51   0.71400  1.0 1.0
   29    33    57    51   0.04300 -1.0 2.0
   29    33    57    51   0.01450  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61  -2.17200  1.0 1.0
   29    33    57    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    57    61    62   0.00000  1.0 1.0
   33    57    61    65   0.36750  1.0 3.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    57    51   0.42250  1.0 1.0
   37    33    57    51  -0.48100 -1.0 2.0
   37    33    57    51   0.35650  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61  -0.84850  1.0 1.0
   37    33    57    61  -0.22800 -1.0 2.0
   37    33    57    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    55   0.00000  1.0 1.0
   43    45    49    59   0.00000  1.0 1.0
   43    45   -51    55   0.00000  1.0 1.0
   43    45    51    57   0.00000  1.0 1.0
   45    49    55    56  -0.11250  1.0 1.0
   45    49    55    56   0.11400 -1.0 2.0
   45    49    55    56  -0.28950  1.0 3.0
   45    49   -55    51   3.00000 -1.0 2.0
   45    49    59    60   0.00000  1.0 1.0
   45    49    59    63  -0.43950  1.0 1.0
   45    49    59    63  -0.08100 -1.0 2.0
   45    49    59    63   0.03350  1.0 3.0
   45    51   -57    33   0.00000  1.0 1.0
   45    51    57    58   0.00000  1.0 1.0
   45    51    57    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    55   0.15000  1.0 3.0
   46    45    49    59   0.15000  1.0 3.0
   46    45   -51    55   0.00000  1.0 1.0
   46    45    51    57   0.00000  1.0 1.0
   49    45   -51    55   0.00000  1.0 1.0
   49    45    51    57   0.00000  1.0 1.0
   49    55   -51    45   3.00000 -1.0 2.0
   49    55   -51    57   3.00000 -1.0 2.0
   49    59    63    64   3.04450 -1.0 2.0
   49    59    63    66   1.49850  1.0 1.0
   49    59    63    66   1.53950 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    51   0.00000  1.0 1.0
   50    49    59    60   0.00000  1.0 1.0
   50    49    59    63   0.00000  1.0 1.0
   55    49    59    60   0.00000  1.0 1.0
   55    49    59    63  -0.42300  1.0 1.0
   55    49    59    63  -0.07000 -1.0 2.0
   55    49    59    63   0.04150  1.0 3.0
   55    51    57    33   0.00000  1.0 1.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    61   0.00000  1.0 1.0
   56    55   -51    45   3.00000 -1.0 2.0
   56    55    51    57   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    55   3.00000 -1.0 2.0
   51    45    49    59   2.20050  1.0 1.0
   51    45    49    59   0.63450 -1.0 2.0
   51    45    49    59  -0.91300  1.0 3.0
   51    57    61    62   0.00000  1.0 1.0
   51    57    61    65   0.40000  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33   -37    43   0.44750  1.0 1.0
   57    33   -37    43  -0.17800 -1.0 2.0
   57    33   -37    43   0.20200  1.0 3.0
   57    33    40    41   0.15000  1.0 3.0
   57    33    40    42   0.15000  1.0 3.0
   57    33    40    44   0.62750  1.0 1.0
   57    33    40    44  -0.30950 -1.0 2.0
   57    33    40    44   0.27300  1.0 3.0
   57    61    65    67   1.63150  1.0 1.0
   57    61    65    67   2.92000 -1.0 2.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    65   0.00000  1.0 1.0
   61    65    67    68   0.08050  1.0 3.0
   61    65    67    71  -2.60950  1.0 1.0
   61    65    67    71   1.40200 -1.0 2.0
   61    65    67    71   0.21950  1.0 3.0
   61    65    67    75  -1.83450  1.0 1.0
   61    65    67    75  -0.02700 -1.0 2.0
   61    65    67    75  -0.20100  1.0 3.0
   62    61    65    67   3.00000 -1.0 2.0
   65    67    71    72   0.23400  1.0 3.0
   65    67    71    73   0.23400  1.0 3.0
   65    67    71    74   0.23400  1.0 3.0
   65    67    75    79  -1.83450  1.0 1.0
   65    67    75    79  -0.02700 -1.0 2.0
   65    67    75    79  -0.20100  1.0 3.0
   67    75    79    80   3.00000 -1.0 2.0
   67    75    79    87   1.63150  1.0 1.0
   67    75    79    87   2.92000 -1.0 2.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   68    67    75    79   0.08050  1.0 3.0
   71    67    75    79  -2.60950  1.0 1.0
   71    67    75    79   1.40200 -1.0 2.0
   71    67    75    79   0.21950  1.0 3.0
   75    67    71    72   0.23400  1.0 3.0
   75    67    71    73   0.23400  1.0 3.0
   75    67    71    74   0.23400  1.0 3.0
   75    79    87    88   0.00000  1.0 1.0
   75    79    87    89   0.00000  1.0 1.0
   75    79    87    90   0.00000  1.0 1.0
   80    79    87    88   0.00000  1.0 1.0
   80    79    87    89   0.00000  1.0 1.0
   80    79    87    90   0.00000  1.0 1.0
   59    49    55    56   0.30150 -1.0 2.0
   59    49   -55    51   0.00000  1.0 1.0
   59    63    66    69   1.50000 -1.0 2.0
   59    63    66    70   1.50000 -1.0 2.0
   60    59    63    64   2.45000 -1.0 2.0
   60    59    63    66   2.56700 -1.0 2.0
   63    66    69    76   0.30050 -1.0 2.0
   63    66    69    76   0.16600  1.0 3.0
   63    66    69    93   0.30050 -1.0 2.0
   63    66    69    93   0.16600  1.0 3.0
   63    66    70    78   6.00000 -1.0 2.0
   64    63    66    69   1.00000 -1.0 2.0
   64    63    66    70   1.00000 -1.0 2.0
   66    69    76    77   3.62500 -1.0 2.0
   66    69    76    81   3.62500 -1.0 2.0
   66    69    93    91   3.62500 -1.0 2.0
   66    70    78    83   1.50000 -1.0 2.0
   69    66    70    78   6.00000 -1.0 2.0
   69    76    81    82   3.62500 -1.0 2.0
   69    76   -81    91   3.62500 -1.0 2.0
   76    69   -93    91   3.62500 -1.0 2.0
   76    81    91    92   3.62500 -1.0 2.0
   76    81   -91    93   3.62500 -1.0 2.0
   77    76    81    82   3.62500 -1.0 2.0
   77    76    81    91   3.62500 -1.0 2.0
   81    91   -93    69   3.62500 -1.0 2.0
   82    81    91    92   3.62500 -1.0 2.0
   82    81    91    93   3.62500 -1.0 2.0
   92    91    93    69   3.62500 -1.0 2.0
   93    69    76    77   3.62500 -1.0 2.0
   93    69   -76    81   3.62500 -1.0 2.0
   70    66    69    76   1.02250 -1.0 2.0
   70    66    69    93   1.02250 -1.0 2.0
   70    78    83    84   0.37500  1.0 3.0
   70    78    83    85   0.37500  1.0 3.0
   70    78    83    86   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    57    51   0.42250  1.0 1.0
   40    33    57    51  -0.48100 -1.0 2.0
   40    33    57    51   0.35650  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    61  -0.84850  1.0 1.0
   40    33    57    61  -0.22800 -1.0 2.0
   40    33    57    61   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    52  -0.80800  1.0 1.0
   40    44    47    52   2.06850 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    52    53   2.56700 -1.0 2.0
   44    47    52    54   2.56700 -1.0 2.0
   48    47    52    53   2.45000 -1.0 2.0
   48    47    52    54   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
   49    51    55    56  10.50000 -1.0 2.0
   57    55    51    45   1.00000 -1.0 2.0
   57    65    61    62  10.50000 -1.0 2.0
   75    87    79    80  10.50000 -1.0 2.0
   60    63    59    49   1.00000 -1.0 2.0
   59    66    63    64  10.50000 -1.0 2.0
   63    69    66    70  10.50000 -1.0 2.0
   76    93    69    66   4.00000 -1.0 2.0
   81    77    76    69   1.10000 -1.0 2.0
   91    82    81    76   1.10000 -1.0 2.0
   93    92    91    81   1.10000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
   54    47    52    53   1.00000 -1.0 2.0
END
