* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    164    257     471
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02107   104.30803   -35.17755
    3     1 S   H    _H1_     3     1.02109    68.96599    69.65915
    4     1 S   H    _H2_     4     1.02134    44.12335  -137.43571
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10104
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C7_    36     1.84149    97.52810  -158.13635
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C8_    37     1.55352   107.66963   -40.03074
   38    37 S   HC   _H11    38     1.09592   111.34643   -63.71107
   39    37 S   HC   _H12    39     1.09753   111.61109    56.65086
   40    33 S   CT   _C6_    78     1.53860   107.55359  -158.36013
   41    40 S   HC   _H9_    79     1.08686   109.19957   -63.07639
   42    40 S   HC   _H10    80     1.08703   109.19362   177.64299
   43    37 S   OS   _O33    40     1.43682   111.38451   176.94187
   44    40 S   S    _S1_    81     1.80616   109.96700    57.28781
   45    43 S   C4T  _C9_    41     1.44499   114.50986   -55.81427
   46    45 S   HC   _H3_    42     1.09645   110.64205   -82.80562
   47    44 S   CRA  _C5_    82     1.76718   100.14758  -149.97644
   48    45 S   C4T  _C10    43     1.54341   116.78006   142.80043
   49    45 S   N4   _N8_    46     1.46844   113.99669    43.83150
   50    47 S   N5B  _N5_    83     1.42489   124.89934    -0.02798
   51    48 S   C4   _C11    44     1.54073    85.39086  -106.49570
   52    51 S   O    _O34    45     1.21018   135.58952   167.05184
   53    33 S   CT1  _C12    47     1.55209   109.21714    78.72646
   54    53 S   HC   _H4_    48     1.09842   108.55664   -53.76872
   55    48 S   N    _N9_    52     1.46733   113.31294     6.26516
   56    55 S   H    _H13    53     1.00431   116.49093    27.97612
   57    48 S   OS   _O41    73     1.44008   115.54289   140.93779
   58    50 S   N5B  _N6_    84     1.50127   102.21509  -179.88297
   59    53 S   CO3  _C13    49     1.51896   115.89040    64.61621
   60    59 S   O2Z  _O36    50     1.26235   115.28883    59.94917
   61    59 S   O2Z  _O35    51     1.26258   114.80311  -119.99459
   62    55 S   C    _C14    54     1.37618   121.78667  -154.93920
   63    62 S   O    _O37    55     1.22881   125.48936     0.05935
   64    57 S   CT   _C23    74     1.41468   110.78784   -84.22655
   65    64 S   HC   _H19    75     1.09279   109.50403  -179.94405
   66    64 S   HC   _H20    76     1.09304   109.51529    59.22810
   67    64 S   HC   _H21    77     1.09269   108.98364   -60.40937
   68    58 S   N5A  _N7_    85     1.30041   109.46177    -0.21306
   69    62 S   CT   _C15    56     1.52598   111.49090  -179.09129
   70    69 S   HC   _H5_    57     1.10032   107.89318    29.14524
   71    47 S   NA   _N4_    86     1.35218   126.84582  -179.98022
   72    69 S   CA   _C16    58     1.51616   112.26532   -89.93509
   73    69 S   CO3  _C22    70     1.53623   112.05364   145.44067
   74    73 S   O2Z  _O40    71     1.26612   114.50902   152.94313
   75    73 S   O2Z  _O39    72     1.26275   116.51392   -27.44836
   76    71 S   CT   _C4_    87     1.43823   131.33094    -0.08393
   77    76 S   HC   _H6_    88     1.09286   108.88893    90.01134
   78    76 S   HC   _H7_    89     1.09309   110.44341  -149.77660
   79    76 S   HC   _H8_    90     1.09399   109.67746   -30.02428
   80    72 S   CA   _C17    59     1.39476   120.03301   118.85724
   81    80 S   HA   _H14    60     1.08633   120.51625     0.09065
   82    80 S   CA   _C18    61     1.39494   119.97223  -179.95577
   83    82 S   HA   _H15    62     1.08691   119.66074   180.00000
   84    82 S   CA   _C19    63     1.39541   120.03159     0.04846
   85    84 S   CA   _C20    64     1.39484   119.95568    -0.03956
   86    85 S   HA   _H16    65     1.08674   120.31932   179.98022
   87    84 S   OH   _O38    68     1.36061   120.01680   179.96044
   88    87 S   HO   _H18    69     0.96985   110.27750   179.98022
   89    72 S   CA   _C21    66     1.39518   119.91564   -61.03458
   90    89 S   HA   _H17    67     1.08661   120.57091    -0.14671
  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   7  13   6   8  14
   9   4   9   3   4   3   9   4   5   3   2   1   1   9   4   3
   2   1   1   5  11   6   4  12   4   1   1   3   2   1   1   8
   4   7   3   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    49    53    54    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    51    49    53    54    59    60    61    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    49    53    54    59    40    41    42    44  
   39    43    45    53    40  
   43    45    53    40  
   41    42    44    47    50    71    43    49    53    54    59  
   42    44    47    53  
   44    47    53  
   45    46    48    51    49    53    55    57  
   47    50    58    68    71    76    53  
   46    48    51    52    49    53    54    59    55    56    62    57    64  
   48    51    49    53    55    57  
   50    58    68    71    76    77    78    79  
   51    52    49    53    55    56    62    63    69    57    64    65    66    67  
   53    54    59    60    61    55    57    51    52  
   58    68    71    76  
   52    53    54    59    55    56    62    57    64  
   53    55    57  
   54    59    60    61  
   59    60    61  
   56    62    63    69    70    72    73    57    64  
   62    63    69    57  
   64    65    66    67    62  
   68    71    76  
   60    61  
   61  
    0  
   63    69    70    72    80    89    73    74    75  
   69    70    72    73  
   65    66    67  
   66    67  
   67  
    0  
   71    76    77    78    79  
   70    72    80    81    82    85    89    90    73    74    75  
   72    80    89    73    74    75  
   76    77    78    79  
   80    81    82    83    84    85    86    89    90    73    74    75  
   74    75    80    89  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    89    90    87  
   82    83    84    89  
   83    84    85    86    89    87    88  
   84    85    87  
   85    86    89    90    87    88  
   86    89    90    87    88  
   89    90    87  
   88    89  
    0  
   90  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   69   3.5000   0.0660  -0.045000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   222.000  1.810
   33    37   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   320.000  1.410
   43    45   320.000  1.410
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    49   305.000  1.456
   48    51   250.000  1.540
   48    55   337.000  1.449
   48    57   320.000  1.410
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   55    56   434.000  1.010
   55    62   490.000  1.335
   62    63   570.000  1.229
   62    69   317.000  1.522
   69    70   340.000  1.090
   69    72   317.000  1.510
   69    73   317.000  1.522
   72    80   469.000  1.400
   72    89   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   469.000  1.400
   84    87   450.000  1.364
   85    86   367.000  1.080
   85    89   469.000  1.400
   89    90   367.000  1.080
   87    88   553.000  0.945
   73    74   656.000  1.250
   73    75   656.000  1.250
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    50   488.000  1.335
   47    71   477.000  1.343
   50    58   290.000  1.379
   58    68   420.000  1.291
   68    71   400.000  1.349
   71    76   320.000  1.443
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    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    53    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    50.00000  109.50000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    60.00000  109.50000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    48    50.00000  109.50000
   43    45    49    95.00000  111.00000
   45    48    51   100.00000   86.36000
   45    48    55    80.00000  110.05700
   45    48    57    50.00000  109.50000
   45    49    51   100.00000   93.00000
   45    49    53    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    49    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    62    50.00000  121.90000
   48    57    64    60.00000  109.50000
   51    49    53    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    48   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    59    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    59    60    70.00000  117.00000
   53    59    61    70.00000  117.00000
   59    53    54    35.00000  109.50000
   61    59    60    80.00000  126.00000
   55    48    51    75.00000  110.24000
   55    62    63    80.00000  122.90000
   55    62    69    70.00000  116.60000
   62    55    56    35.00000  119.80000
   62    69    70    35.00000  109.50000
   62    69    72    70.00000  109.44300
   62    69    73    75.00000  103.47400
   69    62    63    80.00000  120.40000
   69    72    80    70.00000  120.00000
   69    72    89    70.00000  120.00000
   69    73    74    70.00000  117.00000
   69    73    75    70.00000  117.00000
   72    69    70    35.00000  109.50000
   72    80    81    35.00000  120.00000
   72    80    82    63.00000  120.00000
   72    89    85    63.00000  120.00000
   72    89    90    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    63.00000  120.00000
   82    84    87    70.00000  120.00000
   84    82    83    35.00000  120.00000
   84    85    86    35.00000  120.00000
   84    85    89    63.00000  120.00000
   84    87    88    35.00000  113.00000
   85    89    90    35.00000  120.00000
   89    72    80    63.00000  120.00000
   89    85    86    35.00000  120.00000
   87    84    85    70.00000  120.00000
   73    69    70    35.00000  109.50000
   73    69    72    70.00000  106.62600
   75    73    74    80.00000  126.00000
   57    48    51    90.00000  108.55600
   57    48    55    95.00000  111.00000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    50    70.00000  126.12900
   44    47    71    70.00000  123.45500
   47    50    58   100.00000  108.10500
   47    71    68    95.00000  110.06400
   47    71    76    60.00000  127.66100
   50    58    68   100.00000  111.97400
   58    68    71   110.00000  106.81600
   68    71    76    75.00000  118.68000
   71    47    50    70.00000  120.00000
   71    76    77    50.00000  108.61900
   71    76    78    50.00000  108.61900
   71    76    79    50.00000  108.61900
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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   0.01700  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    59  -2.17200  1.0 1.0
   29    33    53    59  -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   0.06250  1.0 1.0
   33    37    43    45  -0.01100 -1.0 2.0
   33    37    43    45   0.28050  1.0 3.0
   33    53    59    60   0.00000  1.0 1.0
   33    53    59    61   0.00000  1.0 1.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    59  -0.84850  1.0 1.0
   37    33    53    59  -0.22800 -1.0 2.0
   37    33    53    59   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   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.37050  1.0 3.0
   37    43    45    48   0.06250  1.0 1.0
   37    43    45    48  -0.01100 -1.0 2.0
   37    43    45    48   0.28050  1.0 3.0
   37    43   -45    49  -2.37750  1.0 1.0
   37    43   -45    49  -0.08150 -1.0 2.0
   37    43   -45    49   0.59000  1.0 3.0
   38    37    43    45   0.37050  1.0 3.0
   39    37    43    45   0.37050  1.0 3.0
   43    45    48    51  -0.09450  1.0 1.0
   43    45    48    51  -1.12950 -1.0 2.0
   43    45    48    51   0.54000  1.0 3.0
   43    45    48    55   1.12100  1.0 1.0
   43    45    48    55  -0.16500 -1.0 2.0
   43    45    48    57   1.11900  1.0 1.0
   43    45    48    57  -1.16350 -1.0 2.0
   43    45    48    57  -0.34150  1.0 3.0
   43    45   -49    51   0.00000  1.0 1.0
   43    45    49    53   0.00000  1.0 1.0
   45    48    51    52  -0.11250  1.0 1.0
   45    48    51    52   0.11400 -1.0 2.0
   45    48    51    52  -0.28950  1.0 3.0
   45    48   -51    49   3.00000 -1.0 2.0
   45    48    55    56   0.00000  1.0 1.0
   45    48    55    62  -0.43950  1.0 1.0
   45    48    55    62  -0.08100 -1.0 2.0
   45    48    55    62   0.03350  1.0 3.0
   45    48    57    64   0.06250  1.0 1.0
   45    48    57    64  -0.01100 -1.0 2.0
   45    48    57    64   0.28050  1.0 3.0
   45    49   -53    33   0.00000  1.0 1.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    59   0.00000  1.0 1.0
   46    45    48    51   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   46    45    48    57   0.15000  1.0 3.0
   46    45   -49    51   0.00000  1.0 1.0
   46    45    49    53   0.00000  1.0 1.0
   48    45   -49    51   0.00000  1.0 1.0
   48    45    49    53   0.00000  1.0 1.0
   48    51   -49    45   3.00000 -1.0 2.0
   48    51   -49    53   3.00000 -1.0 2.0
   48    55    62    63   3.04450 -1.0 2.0
   48    55    62    69   1.49850  1.0 1.0
   48    55    62    69   1.53950 -1.0 2.0
   48    57    64    65   0.37050  1.0 3.0
   48    57    64    66   0.37050  1.0 3.0
   48    57    64    67   0.37050  1.0 3.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    62  -0.42300  1.0 1.0
   51    48    55    62  -0.07000 -1.0 2.0
   51    48    55    62   0.04150  1.0 3.0
   51    48    57    64  -1.11000  1.0 1.0
   51    48    57    64   0.50250 -1.0 2.0
   51    48    57    64   0.47450  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    59   0.00000  1.0 1.0
   52    51   -49    45   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    45   -48    51   3.00000 -1.0 2.0
   49    45    48    55   2.20050  1.0 1.0
   49    45    48    55   0.63450 -1.0 2.0
   49    45    48    55  -0.91300  1.0 3.0
   49    45    48    57   1.12100  1.0 1.0
   49    45    48    57  -0.16500 -1.0 2.0
   49    53    59    60   0.00000  1.0 1.0
   49    53    59    61   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    43   0.62750  1.0 1.0
   53    33   -37    43  -0.30950 -1.0 2.0
   53    33   -37    43   0.27300  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    44   0.44750  1.0 1.0
   53    33    40    44  -0.17800 -1.0 2.0
   53    33    40    44   0.20200  1.0 3.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    49   0.00000  1.0 1.0
   55    48    57    64  -2.37750  1.0 1.0
   55    48    57    64  -0.08150 -1.0 2.0
   55    48    57    64   0.59000  1.0 3.0
   55    62    69    70   0.00000  1.0 1.0
   55    62    69    72   0.00000  1.0 1.0
   55    62    69    73   0.00000  1.0 1.0
   56    55    62    63   2.45000 -1.0 2.0
   56    55    62    69   2.45000 -1.0 2.0
   62    69    72    80   0.04300 -1.0 2.0
   62    69    72    89   0.04300 -1.0 2.0
   62    69    73    74   0.30150 -1.0 2.0
   62    69    73    75   0.30150 -1.0 2.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    72   0.30150 -1.0 2.0
   63    62    69    73   0.30150 -1.0 2.0
   69    72    80    81   3.62500 -1.0 2.0
   69    72    80    82   3.62500 -1.0 2.0
   69    72    89    85   3.62500 -1.0 2.0
   69    72    89    90   3.62500 -1.0 2.0
   70    69    72    80   0.00000  1.0 1.0
   70    69    72    89   0.00000  1.0 1.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   72    69    73    74   0.30150 -1.0 2.0
   72    69    73    75   0.30150 -1.0 2.0
   72    80    82    83   3.62500 -1.0 2.0
   72    80    82    84   3.62500 -1.0 2.0
   80    72    89    85   3.62500 -1.0 2.0
   80    72    89    90   3.62500 -1.0 2.0
   80    82   -84    85   3.62500 -1.0 2.0
   80    82    84    87   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84    85    86   3.62500 -1.0 2.0
   82    84    85    89   3.62500 -1.0 2.0
   82    84    87    88   0.84100 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    87   3.62500 -1.0 2.0
   84    85   -89    72   3.62500 -1.0 2.0
   84    85    89    90   3.62500 -1.0 2.0
   85    84    87    88   0.84100 -1.0 2.0
   86    85    89    72   3.62500 -1.0 2.0
   86    85    89    90   3.62500 -1.0 2.0
   89    72    80    81   3.62500 -1.0 2.0
   89    72   -80    82   3.62500 -1.0 2.0
   87    84    85    86   3.62500 -1.0 2.0
   87    84    85    89   3.62500 -1.0 2.0
   73    69    72    80   0.04300 -1.0 2.0
   73    69    72    89   0.04300 -1.0 2.0
   57    48    51    52   0.30150 -1.0 2.0
   57    48   -51    49   0.00000  1.0 1.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    62  -2.75650  1.0 1.0
   57    48    55    62  -1.18150 -1.0 2.0
   57    48    55    62   0.81900  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   0.62750  1.0 1.0
   40    33    37    43  -0.30950 -1.0 2.0
   40    33    37    43   0.27300  1.0 3.0
   40    33    53    49   0.42250  1.0 1.0
   40    33    53    49  -0.48100 -1.0 2.0
   40    33    53    49   0.35650  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    59  -0.84850  1.0 1.0
   40    33    53    59  -0.22800 -1.0 2.0
   40    33    53    59   0.29250  1.0 3.0
   40    44    47    50   0.63150 -1.0 2.0
   40    44    47    71   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    50    58   3.62500 -1.0 2.0
   44    47    71    68   3.62500 -1.0 2.0
   44    47    71    76   3.62500 -1.0 2.0
   47    50   -58    68   3.62500 -1.0 2.0
   47    71    76    77   0.00000  1.0 1.0
   47    71    76    78   0.00000  1.0 1.0
   47    71    76    79   0.00000  1.0 1.0
   50    47   -71    68   3.62500 -1.0 2.0
   50    47    71    76   3.62500 -1.0 2.0
   50    58   -68    71   3.62500 -1.0 2.0
   58    68   -71    47   3.62500 -1.0 2.0
   58    68    71    76   3.62500 -1.0 2.0
   68    71    76    77   0.00000  1.0 1.0
   68    71    76    78   0.00000  1.0 1.0
   68    71    76    79   0.00000  1.0 1.0
   71    47   -50    58   3.62500 -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
   48    49    51    52  10.50000 -1.0 2.0
   53    51    49    45   1.00000 -1.0 2.0
   60    53    59    61  10.50000 -1.0 2.0
   56    62    55    48   1.00000 -1.0 2.0
   55    69    62    63  10.50000 -1.0 2.0
   80    89    72    69   4.00000 -1.0 2.0
   82    81    80    72   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   85    87    84    82   4.00000 -1.0 2.0
   89    86    85    84   1.10000 -1.0 2.0
   85    90    89    72   1.10000 -1.0 2.0
   74    69    73    75  10.50000 -1.0 2.0
   50    71    47    44   4.00000 -1.0 2.0
   68    76    71    47   4.00000 -1.0 2.0
END
