* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    166    260     473
    1     0 S   NP   _N1_     1    28.38381    95.85909   -23.59141
    2     1 S   H    _HN1     2     1.02782   104.90747  -108.54147
    3     1 S   H    _H1_     3     1.02957    81.74304    -1.68144
    4     1 S   H    _H2_     4     1.02833    28.42844   151.29808
    5     1 S   CT   _CA1     5     1.50123   133.71161   108.69894
    6     5 S   HC   _HA1     6     1.09574   105.22653    79.32064
    7     5 S   CO3  _C1_     7     1.53786   112.39030   -40.90189
    8     7 S   O2Z  _O11     8     1.26364   115.00435   -43.82475
    9     7 S   O2Z  _O12     9     1.26238   114.93167   135.32491
   10     5 S   CT   _CB1    10     1.53087   107.41811  -162.75675
   11    10 S   HC   HB11    11     1.09828   109.34135   -50.56806
   12    10 S   HC   HB12    12     1.09818   110.41556    65.98399
   13    10 S   CT   _CG1    13     1.53015   112.67650  -171.64344
   14    13 S   HC   HG11    14     1.09593   110.49866   -64.16102
   15    13 S   HC   HG12    15     1.09654   109.92887    55.06221
   16    13 S   C    _CD1    16     1.51815   112.28614   175.43743
   17    16 S   O    _OE1    17     1.22733   123.24570     0.19782
   18    16 S   N    _N2_    18     1.38578   111.69475  -179.82306
   19    18 S   H    _HN2    19     1.01555   119.05337     3.84257
   20    18 S   CT1  _CA2    20     1.46002   122.89567   178.13135
   21    20 S   HC   _HA2    21     1.09646   110.05516    20.73482
   22    20 S   C    _C2_    22     1.52702   104.41304   -96.85571
   23    22 S   O    _O2_    23     1.23053   122.43583   -81.66820
   24    20 S   CT   _CB2    32     1.53288   111.68609   144.16351
   25    24 S   HC   HB21    33     1.09533   110.17928    51.13709
   26    24 S   HC   HB22    34     1.09331   109.43965   169.54157
   27    22 S   N    _N3_    24     1.38458   113.12732    93.63868
   28    27 S   H    _HN3    25     1.01701   120.15832     1.44171
   29    24 S   S    _SG2    35     1.83166   110.65484   -68.41165
   30    27 S   CT   _CA3    26     1.45338   122.35090  -178.02226
   31    30 S   HC   HA31    27     1.09571   107.41179   -63.24651
   32    30 S   HC   HA32    28     1.09576   107.93474    52.96967
   33    29 S   CT   _C15    36     1.88830   102.16658  -157.72366
   34    30 S   CO3  _C3_    29     1.52854   114.64736   174.86004
   35    34 S   O2Z  _O31    30     1.26293   116.21486    -5.02188
   36    34 S   O2Z  _O32    31     1.26482   114.34608   175.21005
   37    33 S   CM   _C13    37     1.54082   108.92387    61.80454
   38    33 S   CT   _C17    72     1.57029   103.52099  -178.83014
   39    38 S   HC   _H14    73     1.09621   109.30677    53.88084
   40    38 S   HC   _H15    74     1.09640   111.07056   -60.39137
   41    37 S   N4   _N8_    38     1.36308   118.47766  -141.20137
   42    37 S   CMA  _C14    69     1.53423   121.71121    47.12739
   43    42 S   OM   _O36    70     1.26371   119.83944  -112.46718
   44    42 S   OM   _O37    71     1.26219   121.79322    68.44245
   45    38 S   NE   _N9_    75     1.45249   114.92723   176.84377
   46    41 S   C4   _C12    39     1.35235   136.91537  -159.95341
   47    46 S   O    _O35    40     1.20876   134.70729    -1.25007
   48    41 S   C4T  _C11    43     1.45013   126.03995    27.81466
   49    48 S   HC   _H4_    44     1.09782   111.89228    74.25804
   50    45 S   CM   _C18    76     1.37821   129.63015    76.21462
   51    50 S   HC   _H16    77     1.07714   121.18138    -5.17990
   52    46 S   C4T  _C10    41     1.56064    89.61231   173.95759
   53    52 S   HC   _H3_    42     1.09601   112.60039   125.38090
   54    48 S   S    _S2_    45     1.80565   111.11229   -53.64555
   55    50 S   CM   _C19    78     1.34320   110.88488   174.44254
   56    55 S   HC   _H17    79     1.07752   127.32340  -179.80617
   57    33 S   CT   _C16    46     1.55819   106.02181   -63.09884
   58    57 S   HC   _H12    47     1.09450   111.22484   -71.12910
   59    57 S   HC   _H13    48     1.09370   111.95756    47.50688
   60    52 S   N    _N7_    49     1.47955   113.01798  -106.39228
   61    60 S   H    _H11    50     1.01714   119.33572    14.52681
   62    55 S   CG   _C20    80     1.48761   106.76070    -1.48583
   63    60 S   C    _C9_    51     1.37823   122.55439  -166.33368
   64    63 S   O    _O34    52     1.22063   128.38363     1.00561
   65    45 S   NG   _N10    81     1.45956   123.08141  -111.98706
   66    62 S   NG   _N11    90     1.31756   120.98716  -178.27150
   67    66 S   H    _H23    91     1.01297   120.93361    -0.84673
   68    66 S   H    _H24    92     1.01296   120.30716   178.03995
   69    63 S   CD   _C5_    53     1.50612   112.89349  -178.36422
   70    65 S   CT   _C21    82     1.46554   127.32357     4.92155
   71    70 S   HC   _H18    83     1.09142   109.62191    28.75452
   72    70 S   HC   _H19    84     1.09548   108.58982   145.82986
   73    69 S   C5B  _C6_    54     1.45253   119.78098    93.79960
   74    69 S   NI   _N4_    63     1.29813   121.69442   -86.17317
   75    70 S   CT   _C22    85     1.51975   109.57861   -92.86690
   76    75 S   HC   _H20    86     1.09435   111.51523    47.07120
   77    75 S   HC   _H21    87     1.09420   110.00642   168.32290
   78    73 S   C5A  _C7_    55     1.38190   125.57433   177.04614
   79    78 S   HA   _H8_    56     1.08117   128.83626     0.03426
   80    74 S   OS   _O33    64     1.40191   111.38078    -0.26541
   81    75 S   OH   _O38    88     1.42307   109.46680   -73.34110
   82    81 S   HO   _H22    89     0.97303   106.97195   179.28399
   83    78 S   SA   _S1_    57     1.71146   110.17484  -179.33265
   84    80 S   CT   _C4_    65     1.41970   108.18835   179.91377
   85    84 S   HC   _H5_    66     1.09315   108.47204   180.00000
   86    84 S   HC   _H6_    67     1.09442   110.33754    60.96958
   87    84 S   HC   _H7_    68     1.09443   110.32795   -60.98628
   88    83 S   CRA  _C8_    58     1.72265    89.90625    -0.48051
   89    73 S   N5B  _N5_    59     1.38677   120.10895    -2.96584
   90    88 S   NE   _N6_    60     1.34628   120.47870  -179.56976
   91    90 S   H    _H9_    61     1.01442   121.30196  -179.14362
   92    90 S   H    _H10    62     1.01403   122.09018    -1.84207
  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  12   5   4   3
  17   2   1   1  17  15   5   4  12   5   1   1  12   9   4  10
   5   7   4   8   4   4   7   3   2   1   1   6   3   8   7   3
  10   3   1   1   9   7   5   4   8   7   4   3   2   5   3   4
   1   1   5   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    57    58    59    42    43    44    38    39    40    45    50    65  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    55    62    65    70    41    42    54    57    58    59  
   40    45    50    65    57  
   45    50    65    57  
   46    47    52    53    48    49    54    57    60    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    55    56    62    65    70    71    72    75    66    57  
   47    52    53    48    49    54    60    61    63  
   52    53    48    60  
   49    54    57    58    59    60    61    63    52    53  
   54    57    60    52    53  
   51    55    56    62    65    70    66  
   55    56    62    65  
   53    54    57    60    61    63    64    69  
   54    60    61    63  
   57    58    59    60  
   56    62    65    70    66    67    68  
   62    65    66  
   58    59  
   59  
    0  
   61    63    64    69    73    74  
   63    64    69  
   65    70    71    72    75    66    67    68  
   64    69    73    78    89    74    80  
   69    73    74  
   70    71    72    75    76    77    81    66    67    68  
   67    68    70  
   68  
    0  
   73    78    79    83    88    89    74    80    84  
   71    72    75    76    77    81    82  
   72    75    76    77    81  
   75    76    77    81  
   78    79    83    88    89    90    74    80  
   80    84    85    86    87    78    89  
   76    77    81    82  
   77    81    82  
   81    82  
   79    83    88    89    90  
   83    88    89  
   84    85    86    87  
   82  
    0  
   88    89    90    91    92  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.253300   1.9050   1.6860   0.051222218  -2.220205820
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   2.2500   0.0500   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   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   3.2500   0.1700   0.270800   1.9050   1.6860   0.051222218  -2.220205820
   66   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   67   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660   0.051000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   74   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   84   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   89   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   90   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   91   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    60   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    63   490.000  1.335
   63    64   570.000  1.229
   63    69   270.000  1.486
   69    73   305.000  1.466
   69    74   500.000  1.261
   73    78   520.000  1.370
   73    89   410.000  1.394
   78    79   367.000  1.080
   78    83   265.000  1.745
   83    88   250.000  1.765
   88    89   488.000  1.335
   88    90   420.000  1.385
   90    91   434.000  1.010
   90    92   434.000  1.010
   74    80   320.000  1.394
   80    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   382.000  1.448
   45    50   425.000  1.378
   45    65   255.000  1.385
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    62   400.000  1.403
   62    65   481.000  1.340
   62    66   481.000  1.340
   65    70   337.000  1.463
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   320.000  1.410
   81    82   553.000  0.945
   66    67   434.000  1.010
   66    68   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  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    54    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    80.00000  111.61500
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    63    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    57    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    53    50.00000  112.01000
   60    52    48    80.00000  110.05700
   60    63    64    80.00000  122.90000
   60    63    69    75.00000  109.57000
   63    60    61    35.00000  119.80000
   63    69    73    75.00000  114.44000
   63    69    74    65.00000  123.79500
   69    63    64    80.00000  120.45000
   69    73    78    60.00000  121.09900
   69    73    89    60.00000  126.00000
   69    74    80   100.00000  109.52600
   73    78    79    35.00000  130.70000
   73    78    83    80.00000  111.29200
   73    89    88    70.00000  110.00000
   78    83    88   120.00000   89.04400
   83    78    79    40.00000  122.38200
   83    88    89    80.00000  114.57700
   83    88    90    70.00000  122.29500
   88    90    91    35.00000  113.50000
   88    90    92    35.00000  113.50000
   89    73    78    70.00000  111.00000
   90    88    89    75.00000  125.31200
   92    90    91    35.00000  109.00000
   74    69    73    65.00000  124.33800
   74    80    84   110.00000  106.71400
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    50.00000  121.00000
   38    45    65    90.00000  111.48000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    50.00000  112.30800
   45    50    55    70.00000  124.03900
   45    65    62    80.00000  117.76000
   45    65    70    95.00000  111.84000
   50    55    56    35.00000  120.00000
   50    55    62    65.00000  121.68800
   55    50    51    35.00000  120.00000
   55    62    65    70.00000  121.25000
   55    62    66    70.00000  121.25000
   62    55    56    40.00000  116.17200
   62    65    70    50.00000  123.20000
   62    66    67    35.00000  120.00000
   62    66    68    35.00000  120.00000
   65    45    50    85.00000  113.08000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    75    80.00000  111.20000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    81    50.00000  109.50000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    81    82    55.00000  108.50000
   77    75    76    33.00000  107.80000
   81    75    76    35.00000  109.50000
   81    75    77    35.00000  109.50000
   66    62    65    70.00000  120.00000
   68    66    67    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    54   0.56750  1.0 1.0
   29    33    57    54  -0.07550 -1.0 2.0
   29    33    57    54   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.25450  1.0 1.0
   33    38    45    50  -0.61700 -1.0 2.0
   33    38    45    50  -0.23550  1.0 3.0
   33    38    45    65  -0.50000 -1.0 2.0
   37    33    57    54   0.56750  1.0 1.0
   37    33    57    54  -0.07550 -1.0 2.0
   37    33    57    54   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.21700  1.0 1.0
   37    33    38    45   0.68550 -1.0 2.0
   37    33    38    45  -0.27950  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    48    54    57   0.01700  1.0 1.0
   41    48    54    57  -0.23550 -1.0 2.0
   41    48    54    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    63  -0.42300  1.0 1.0
   46    52    60    63  -0.07000 -1.0 2.0
   46    52    60    63   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   52    48    54    57   0.25150  1.0 1.0
   52    48    54    57  -1.17200 -1.0 2.0
   52    48    54    57   0.53050  1.0 3.0
   52    60    63    64   3.04450 -1.0 2.0
   52    60    63    69   1.49850  1.0 1.0
   52    60    63    69   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    63   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    63  -0.43950  1.0 1.0
   48    52    60    63  -0.08100 -1.0 2.0
   48    52    60    63   0.03350  1.0 3.0
   48    54   -57    33  -0.25000 -1.0 2.0
   48    54   -57    33  -0.01800  1.0 3.0
   48    54    57    58   0.32350  1.0 3.0
   48    54    57    59   0.32350  1.0 3.0
   49    48    54    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   1.26750  1.0 1.0
   57    33    38    45  -0.00950 -1.0 2.0
   57    33    38    45   0.30600  1.0 3.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    54   0.00000  1.0 1.0
   60    63    69    73   1.50000 -1.0 2.0
   60    63    69    74   1.50000 -1.0 2.0
   61    60    63    64   2.45000 -1.0 2.0
   61    60    63    69   2.56700 -1.0 2.0
   63    69    73    78   0.30050 -1.0 2.0
   63    69    73    78   0.16600  1.0 3.0
   63    69    73    89   0.30050 -1.0 2.0
   63    69    73    89   0.16600  1.0 3.0
   63    69    74    80   6.00000 -1.0 2.0
   64    63    69    73   1.00000 -1.0 2.0
   64    63    69    74   1.00000 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    83   3.62500 -1.0 2.0
   69    73    89    88   3.62500 -1.0 2.0
   69    74    80    84   1.50000 -1.0 2.0
   73    69    74    80   6.00000 -1.0 2.0
   73    78   -83    88   3.62500 -1.0 2.0
   78    73   -89    88   2.40000 -1.0 2.0
   78    83   -88    89   3.62500 -1.0 2.0
   78    83    88    90   3.62500 -1.0 2.0
   79    78    83    88   3.62500 -1.0 2.0
   83    88   -89    73   3.62500 -1.0 2.0
   83    88    90    91   0.47600 -1.0 2.0
   83    88    90    92   0.47600 -1.0 2.0
   89    73    78    79   3.62500 -1.0 2.0
   89    73   -78    83   3.62500 -1.0 2.0
   89    88    90    91   1.75000 -1.0 2.0
   89    88    90    92   1.75000 -1.0 2.0
   90    88    89    73   3.62500 -1.0 2.0
   74    69    73    78   1.02250 -1.0 2.0
   74    69    73    89   1.02250 -1.0 2.0
   74    80    84    85   0.37500  1.0 3.0
   74    80    84    86   0.37500  1.0 3.0
   74    80    84    87   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    54   0.44750  1.0 1.0
   38    33    57    54  -0.17800 -1.0 2.0
   38    33    57    54   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   0.00000  1.0 1.0
   38    45    50    55  -0.54700  1.0 1.0
   38    45    50    55   1.23000 -1.0 2.0
   38    45    65    62   0.00000  1.0 1.0
   38    45    65    70   0.00000  1.0 1.0
   39    38    45    50   0.00000  1.0 1.0
   39    38    45    65   0.00000  1.0 1.0
   40    38    45    50   0.00000  1.0 1.0
   40    38    45    65   0.00000  1.0 1.0
   45    50    55    56   7.00000 -1.0 2.0
   45    50   -55    62   7.00000 -1.0 2.0
   45    65    70    71   0.00000  1.0 1.0
   45    65    70    72   0.00000  1.0 1.0
   45    65    70    75  -0.50000 -1.0 2.0
   50    45   -65    62   0.00000  1.0 1.0
   50    45    65    70   0.00000  1.0 1.0
   50    55   -62    65   1.09700  1.0 1.0
   50    55   -62    65   0.56350 -1.0 2.0
   50    55   -62    65   0.49350  1.0 3.0
   50    55    62    66   1.09700  1.0 1.0
   50    55    62    66   0.56350 -1.0 2.0
   50    55    62    66   0.49350  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    62   7.00000 -1.0 2.0
   55    62   -65    45   4.00000 -1.0 2.0
   55    62    65    70  -0.54700  1.0 1.0
   55    62    65    70   1.23000 -1.0 2.0
   55    62    66    67   1.50000 -1.0 2.0
   55    62    66    68   1.50000 -1.0 2.0
   56    55    62    65   0.97550 -1.0 2.0
   56    55    62    66   0.97550 -1.0 2.0
   62    65    70    71   0.08850  1.0 3.0
   62    65    70    72   0.08850  1.0 3.0
   62    65    70    75   0.25550 -1.0 2.0
   65    45    50    51   0.00000  1.0 1.0
   65    45   -50    55  -0.94800  1.0 1.0
   65    45   -50    55   2.88400 -1.0 2.0
   65    62    66    67   1.50000 -1.0 2.0
   65    62    66    68   1.50000 -1.0 2.0
   65    70    75    76  -0.29100  1.0 3.0
   65    70    75    77  -0.29100  1.0 3.0
   65    70    75    81   4.07950  1.0 1.0
   65    70    75    81  -0.26450 -1.0 2.0
   65    70    75    81  -0.12150  1.0 3.0
   70    75    81    82  -0.11600  1.0 1.0
   70    75    81    82  -0.09450 -1.0 2.0
   70    75    81    82   0.21250  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    81   0.23400  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    81   0.23400  1.0 3.0
   76    75    81    82   0.19450  1.0 3.0
   77    75    81    82   0.19450  1.0 3.0
   66    62    65    45   4.00000 -1.0 2.0
   66    62    65    70   3.96800 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    63    60    52   1.00000 -1.0 2.0
   60    69    63    64  10.50000 -1.0 2.0
   63    73    69    74  10.50000 -1.0 2.0
   78    89    73    69   4.00000 -1.0 2.0
   83    79    78    73   1.10000 -1.0 2.0
   89    90    88    83   4.00000 -1.0 2.0
   92    88    90    91   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   65    50    45    38   1.00000 -1.0 2.0
   45    51    50    55   1.10000 -1.0 2.0
   62    56    55    50   1.10000 -1.0 2.0
   65    55    62    66  10.50000 -1.0 2.0
   70    62    65    45   1.00000 -1.0 2.0
   67    68    66    62   1.00000 -1.0 2.0
END
