* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    143    212     405
    1     0 S   NP   _N1_     1    29.02102    95.00161   -19.28473
    2     1 S   H    _HN1     2     1.03484    87.99575    15.65262
    3     1 S   H    _H1_     3     1.02886    42.27165   133.62722
    4     1 S   H    _H2_     4     1.02706    78.60199   -92.60885
    5     1 S   CT   _CA1     5     1.50282   152.06822   150.66222
    6     5 S   HC   _HA1     6     1.09697   104.55865    54.10719
    7     5 S   CO3  _C1_     7     1.54406   111.06829   -61.66321
    8     7 S   O2Z  _O11     8     1.26049   116.75321  -115.45143
    9     7 S   O2Z  _O12     9     1.26605   113.77566    63.86153
   10     5 S   CT   _CB1    10     1.53135   106.99657   169.95549
   11    10 S   HC   HB11    11     1.09841   109.74228   -43.68862
   12    10 S   HC   HB12    12     1.09783   110.33327    72.94111
   13    10 S   CT   _CG1    13     1.53052   112.40080  -164.33426
   14    13 S   HC   HG11    14     1.09515   110.88741   -60.44797
   15    13 S   HC   HG12    15     1.09671   109.83790    58.61726
   16    13 S   C    _CD1    16     1.51809   112.24377   178.69359
   17    16 S   O    _OE1    17     1.22749   123.32424    -2.17051
   18    16 S   N    _N2_    18     1.38701   111.69390   178.04175
   19    18 S   H    _HN2    19     1.01596   119.07451     0.26614
   20    18 S   CT1  _CA2    20     1.46131   123.15648   179.38483
   21    20 S   HC   _HA2    21     1.09485   108.94194   -13.61455
   22    20 S   C    _C2_    22     1.53417   108.57467  -128.50323
   23    22 S   O    _O2_    23     1.23031   122.33714  -149.09631
   24    20 S   CT   _CB2    32     1.53467   111.94637   109.03502
   25    24 S   HC   HB21    33     1.09666   109.30746    61.82157
   26    24 S   HC   HB22    34     1.09547   111.15246   179.02341
   27    22 S   N    _N3_    24     1.38366   113.48430    38.46028
   28    27 S   H    _HN3    25     1.01655   119.47126    -3.46509
   29    24 S   S    _SG2    35     1.82721   114.31957   -57.32288
   30    27 S   CT   _CA3    26     1.45294   123.10951   176.91517
   31    30 S   HC   HA31    27     1.09552   107.52958   -63.95440
   32    30 S   HC   HA32    28     1.09560   107.94121    52.45034
   33    29 S   CT   _C23    36     1.83122   100.24058   -80.55084
   34    33 S   F    F2__    37     1.36491   108.35609   -63.46086
   35    33 S   F    F3__    38     1.36359   109.35230    50.23576
   36    30 S   CO3  _C3_    29     1.52929   114.14273   174.46661
   37    36 S   O2Z  _O31    30     1.26364   116.04399     0.21489
   38    36 S   O2Z  _O32    31     1.26426   114.42296  -179.73020
   39    33 S   CA   _C20    39     1.50710   110.08664   173.09863
   40    39 S   CA   _C19    40     1.39968   120.46569   -89.28170
   41    40 S   HA   _H14    41     1.08835   120.29003    -0.33279
   42    40 S   CA   _C18    42     1.40004   120.80040   179.13362
   43    42 S   HA   _H13    43     1.08756   117.58964  -178.93449
   44    42 S   CA   _C17    44     1.40390   120.98873     0.09691
   45    44 S   CA   _C22    45     1.40277   117.99648    -0.64377
   46    45 S   HA   _H15    46     1.08772   120.87349  -179.43733
   47    44 S   CRA  _C16    49     1.47245   122.84279  -179.24541
   48    39 S   CA   _C21    47     1.39539   121.44361    89.33953
   49    48 S   F    F1__    48     1.34126   119.97929     0.48739
   50    47 S   N5B  _N4_    50     1.31809   123.95650   156.35952
   51    50 S   C5B  _C15    51     1.38550   110.85957  -179.21043
   52    51 S   C5A  _C14    52     1.38494   114.91942    -0.08393
   53    51 S   CT   _C24    78     1.48483   118.02989   179.03045
   54    53 S   HC   _H16    79     1.09421   110.34944  -104.00888
   55    53 S   HC   _H17    80     1.09470   110.86770    15.71716
   56    53 S   HC   _H18    81     1.09433   110.96094   135.47042
   57    47 S   SA   _S2_    53     1.72089   121.68071   -25.38724
   58    52 S   CT   _C13    54     1.49541   130.04045   178.57166
   59    58 S   HC   _H11    55     1.09566   109.24652    44.42760
   60    58 S   HC   _H12    56     1.09531   111.98036   161.93245
   61    58 S   S    _S1_    57     1.82927   112.22910   -74.51595
   62    61 S   CA   _C7_    58     1.78601   100.40709   -64.21893
   63    62 S   CA   _C8_    59     1.39605   119.39105   115.37907
   64    63 S   HA   _H7_    60     1.08767   120.77837     0.67319
   65    63 S   CA   _C9_    61     1.39720   120.41597  -178.32707
   66    65 S   HA   _H8_    62     1.08563   117.65274   179.42291
   67    65 S   CA   _C10    63     1.39842   120.47181    -0.35277
   68    67 S   CA   _C5_    64     1.40767   119.47384    -0.81517
   69    67 S   OS   _O33    71     1.37178   124.72212   179.32507
   70    62 S   CA   _C6_    65     1.39822   121.28289   -64.38494
   71    70 S   HA   _H6_    66     1.08810   119.88994    -1.12361
   72    68 S   CT   _C4_    67     1.50406   120.88825  -179.77619
   73    72 S   HC   _H3_    68     1.09479   110.16488   -62.29678
   74    72 S   HC   _H4_    69     1.09483   110.28092    58.60393
   75    72 S   HC   _H5_    70     1.09508   111.61372   178.07166
   76    69 S   CT   _C11    72     1.42658   117.34635    -3.63464
   77    76 S   HC   _H9_    73     1.09675   110.91701   -58.24842
   78    76 S   HC   _H10    74     1.09639   110.61912    64.23898
   79    76 S   CO3  _C12    75     1.52516   106.80765  -176.80157
   80    79 S   O2Z  _O35    76     1.26473   115.25143    87.03136
   81    79 S   O2Z  _O34    77     1.26295   115.45645   -93.79091
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3   9   6   3   7   1
   1   8  10  10   5   2   1   1   4   6   3   2   7   9   8   4
   7   3  12   8   8   5   1   3   2   1   1   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49  
   41    42    43    44    45    48    49    47  
   42    43    44    48  
   43    44    45    46    48    47    50    57  
   44    45    47  
   45    46    48    49    47    50    51    52    57  
   46    48    49    47    50    57  
   48    49    47  
   50    51    52    57    58    53    48  
   49  
    0  
   51    52    57    58    53    54    55    56  
   52    57    58    59    60    61    53    54    55    56  
   57    58    59    60    61    62    53    54    55    56  
   54    55    56    57    58  
   55    56  
   56  
    0  
   58    59    60    61  
   59    60    61    62    63    70  
   60    61    62  
   61    62  
   62    63    64    65    68    70    71  
   63    64    65    66    67    68    70    71    72  
   64    65    66    67    68    70    71    69  
   65    66    67    70  
   66    67    68    70    72    69    76  
   67    68    69  
   68    70    71    72    73    74    75    69    76    77    78    79  
   70    71    72    73    74    75    69    76  
   76    77    78    79    80    81    70    72  
   71    72    73    74    75  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.300900   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   50   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   51   3.5500   0.0700   0.169300   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.220900   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   58   3.5000   0.0660   0.162500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   62   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   345.000  1.448
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   420.000  1.354
   47    50   488.000  1.335
   47    57   250.000  1.765
   50    51   410.000  1.394
   51    52   520.000  1.370
   51    53   295.000  1.494
   52    57   265.000  1.745
   52    58   295.000  1.489
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   222.000  1.810
   61    62   250.000  1.760
   62    63   469.000  1.400
   62    70   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    70   469.000  1.400
   68    72   317.000  1.510
   70    71   367.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   69    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   656.000  1.250
   79    81   656.000  1.250
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    48    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    45    63.00000  120.00000
   39    48    49    80.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    65.00000  119.74000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    48    63.00000  120.00000
   44    47    50    65.00000  126.92000
   44    47    57    65.00000  122.00000
   45    48    49    80.00000  120.00000
   48    39    40    63.00000  120.00000
   48    45    46    35.00000  120.00000
   47    44    45    65.00000  119.74000
   47    50    51    70.00000  110.00000
   47    57    52   120.00000   89.04400
   50    51    52    70.00000  111.00000
   50    51    53    65.00000  120.63000
   51    52    57    80.00000  111.29200
   51    52    58    55.00000  130.44200
   51    53    54    45.00000  111.11700
   51    53    55    45.00000  111.11700
   51    53    56    45.00000  111.11700
   52    58    59    45.00000  110.47400
   52    58    60    45.00000  110.47400
   52    58    61    80.00000  109.48900
   57    47    50    80.00000  114.57700
   58    52    57    65.00000  123.52500
   58    61    62    62.00000  104.20000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    62    63    85.00000  119.40000
   61    62    70    85.00000  119.40000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    70    68    63.00000  120.00000
   62    70    71    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    69    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    68    72    70.00000  120.00000
   67    69    76    75.00000  111.00000
   68    70    71    35.00000  120.00000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   70    62    63    63.00000  120.00000
   72    68    70    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   69    67    68    70.00000  120.00000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    79    85.00000  109.63000
   76    79    80    70.00000  117.00000
   76    79    81    70.00000  117.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   81    79    80    80.00000  126.00000
   53    51    52    55.00000  127.77900
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    48  -0.16000  1.0 1.0
   29    33    39    48  -0.03200 -1.0 2.0
   29    33    39    48   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    48    45   3.62500 -1.0 2.0
   33    39    48    49   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    48    45   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    47    50   0.04300  1.0 1.0
   42    44    47    50   0.58850 -1.0 2.0
   42    44    47    50   0.22750  1.0 3.0
   42    44    47    57   0.13800  1.0 1.0
   42    44    47    57   0.61700 -1.0 2.0
   42    44    47    57   0.18800  1.0 3.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -48    39   3.62500 -1.0 2.0
   44    45    48    49   3.62500 -1.0 2.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    57    52   3.62500 -1.0 2.0
   45    44    47    50   0.04300  1.0 1.0
   45    44    47    50   0.58850 -1.0 2.0
   45    44    47    50   0.22750  1.0 3.0
   45    44    47    57   0.13800  1.0 1.0
   45    44    47    57   0.61700 -1.0 2.0
   45    44    47    57   0.18800  1.0 3.0
   46    45    48    39   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    48   3.62500 -1.0 2.0
   47    50   -51    52   2.40000 -1.0 2.0
   47    50    51    53   3.62500 -1.0 2.0
   50    47   -57    52   3.62500 -1.0 2.0
   50    51   -52    57   3.62500 -1.0 2.0
   50    51    52    58   3.62500 -1.0 2.0
   50    51    53    54   0.00000  1.0 1.0
   50    51    53    55   0.00000  1.0 1.0
   50    51    53    56   0.00000  1.0 1.0
   51    52   -57    47   3.62500 -1.0 2.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.00000  1.0 1.0
   51    52    58    61  -0.16000  1.0 1.0
   51    52    58    61  -0.03200 -1.0 2.0
   51    52    58    61   0.04500  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.00000  1.0 1.0
   52    58    61    62   0.00000  1.0 1.0
   57    47   -50    51   3.62500 -1.0 2.0
   57    52    58    59   0.00000  1.0 1.0
   57    52    58    60   0.00000  1.0 1.0
   57    52    58    61   0.04300 -1.0 2.0
   58    52    57    47   3.62500 -1.0 2.0
   58    61    62    63   0.63250 -1.0 2.0
   58    61    62    70   0.63250 -1.0 2.0
   59    58    61    62   0.24000  1.0 3.0
   60    58    61    62   0.24000  1.0 3.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    65   3.62500 -1.0 2.0
   61    62    70    68   3.62500 -1.0 2.0
   61    62    70    71   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    67   3.62500 -1.0 2.0
   63    62    70    68   3.62500 -1.0 2.0
   63    62    70    71   3.62500 -1.0 2.0
   63    65   -67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    70   3.62500 -1.0 2.0
   65    67    68    72   3.62500 -1.0 2.0
   65    67    69    76   1.63200 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    68   -70    62   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    72    73   0.00000  1.0 1.0
   67    68    72    74   0.00000  1.0 1.0
   67    68    72    75   0.00000  1.0 1.0
   67    69    76    77   0.08050  1.0 3.0
   67    69    76    78   0.08050  1.0 3.0
   67    69    76    79  -0.25600  1.0 1.0
   67    69    76    79  -0.40050 -1.0 2.0
   67    69    76    79   0.34700  1.0 3.0
   68    67    69    76   1.63200 -1.0 2.0
   70    62    63    64   3.62500 -1.0 2.0
   70    62   -63    65   3.62500 -1.0 2.0
   70    68    72    73   0.00000  1.0 1.0
   70    68    72    74   0.00000  1.0 1.0
   70    68    72    75   0.00000  1.0 1.0
   72    68    70    62   3.62500 -1.0 2.0
   72    68    70    71   3.62500 -1.0 2.0
   69    67    68    70   3.62500 -1.0 2.0
   69    67    68    72   3.62500 -1.0 2.0
   69    76    79    80   0.30150 -1.0 2.0
   69    76    79    81   0.30150 -1.0 2.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    81   0.00000  1.0 1.0
   53    51    52    57   3.62500 -1.0 2.0
   53    51    52    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
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   48    46    45    44   1.10000 -1.0 2.0
   45    49    48    39   4.00000 -1.0 2.0
   50    57    47    44   4.00000 -1.0 2.0
   52    53    51    50   4.00000 -1.0 2.0
   58    57    52    51   4.00000 -1.0 2.0
   63    70    62    61   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    69    67    65   4.00000 -1.0 2.0
   70    72    68    67   4.00000 -1.0 2.0
   68    71    70    62   1.10000 -1.0 2.0
   80    76    79    81  10.50000 -1.0 2.0
END
