* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    143    202     408
    1     0 S   NP   _N1_     1    28.57941    95.08502   -24.82362
    2     1 S   H    _HN1     2     1.02779   110.69767   -71.75600
    3     1 S   H    _H1_     3     1.02959    75.77131    32.78702
    4     1 S   H    _H2_     4     1.02836    32.40162  -162.77168
    5     1 S   CT   _CA1     5     1.50120   131.33078   137.59661
    6     5 S   HC   _HA1     6     1.09575   105.21837    88.75974
    7     5 S   CO3  _C1_     7     1.53774   112.43474   -31.42919
    8     7 S   O2Z  _O11     8     1.26357   114.99970   -42.86261
    9     7 S   O2Z  _O12     9     1.26240   114.92255   136.32508
   10     5 S   CT   _CB1    10     1.53096   107.43262  -153.32978
   11    10 S   HC   HB11    11     1.09826   109.28998   -50.82045
   12    10 S   HC   HB12    12     1.09818   110.42762    65.71870
   13    10 S   CT   _CG1    13     1.53017   112.69966  -171.92620
   14    13 S   HC   HG11    14     1.09592   110.46817   -64.80722
   15    13 S   HC   HG12    15     1.09657   109.94958    54.42345
   16    13 S   C    _CD1    16     1.51813   112.32636   174.75648
   17    16 S   O    _OE1    17     1.22720   123.26093    -0.36637
   18    16 S   N    _N2_    18     1.38646   111.65600   179.82983
   19    18 S   H    _HN2    19     1.01594   119.02962     1.08227
   20    18 S   CT1  _CA2    20     1.46054   123.31323   179.09259
   21    20 S   HC   _HA2    21     1.09561   109.17046    -6.77555
   22    20 S   C    _C2_    22     1.53457   108.99488  -121.67158
   23    22 S   O    _O2_    23     1.23048   122.11293  -148.13672
   24    20 S   CT   _CB2    32     1.53243   111.50862   115.90987
   25    24 S   HC   HB21    33     1.09667   109.63198    56.40448
   26    24 S   HC   HB22    34     1.09299   111.24583   173.49211
   27    22 S   N    _N3_    24     1.38453   113.55096    39.71836
   28    27 S   H    _HN3    25     1.01502   119.01137    -0.92704
   29    24 S   S    _SG2    35     1.82755   114.89437   -63.75793
   30    27 S   CT   _CA3    26     1.45426   123.28122   174.29391
   31    30 S   HC   HA31    27     1.09531   109.12462    27.76911
   32    30 S   HC   HA32    28     1.09491   107.19935   144.78846
   33    29 S   S    _S1_    36     2.05970   103.71192   -62.70563
   34    30 S   CO3  _C3_    29     1.52930   112.99936   -95.57451
   35    34 S   O2Z  _O31    30     1.26408   115.35273   -46.24509
   36    34 S   O2Z  _O32    31     1.26346   115.02102   134.59687
   37    33 S   CM   _C12    37     1.76651   100.35255   -81.84092
   38    37 S   CM   _C11    38     1.36319   120.68417   104.94613
   39    37 S   CT   _C13    64     1.52550   114.85845   -71.78169
   40    39 S   HC   _H12    65     1.09709   110.02396    53.50705
   41    39 S   HC   _H13    66     1.09537   111.86249   166.94965
   42    38 S   CT   _C19    39     1.51796   124.04568    -0.46814
   43    42 S   HC   _H23    40     1.09282   113.57049    25.54631
   44    42 S   HC   _H24    41     1.09662   110.35595   143.47512
   45    42 S   HC   _H25    42     1.09331   110.90749   -96.56662
   46    38 S   N    _N7_    43     1.40503   122.50087   178.48328
   47    39 S   CT   _C14    67     1.53067   113.67466   -69.01449
   48    47 S   HC   _H14    68     1.09630   112.25826    67.76025
   49    47 S   HC   _H15    69     1.09448   111.03400   -51.81185
   50    46 S   C    _C10    44     1.39524   121.37134   -54.86938
   51    50 S   O    _O33    45     1.22635   127.19473   177.34531
   52    50 S   HC   _H11    46     1.10093   112.45082    -3.53036
   53    46 S   CT   _C9_    47     1.47398   119.77583   128.24093
   54    53 S   HC   _H9_    48     1.09682   110.01421   166.35617
   55    53 S   HC   _H10    49     1.09628   109.36413    51.83491
   56    47 S   OS   _O34    70     1.44041   109.71868  -169.35273
   57    53 S   CA   _C7_    50     1.50657   112.63383   -71.84258
   58    56 S   CO4  _C15    71     1.36580   116.90709   -84.60807
   59    58 S   O    _O35    72     1.22361   125.74422    -0.11703
   60    57 S   CA   _C6_    51     1.38776   120.25163   102.05438
   61    60 S   HA   _H6_    52     1.08614   121.26703     1.52611
   62    58 S   CT   _C16    73     1.51822   109.41487  -179.80119
   63    62 S   HC   _H16    74     1.09716   107.90382   -40.96055
   64    60 S   NB   _N4_    53     1.34638   124.54365  -178.43677
   65    62 S   CT   _C17    75     1.52390   109.71395    78.61132
   66    65 S   HC   _H17    76     1.09574   111.24246    60.19984
   67    65 S   HC   _H18    77     1.09537   111.01172   -59.31855
   68    65 S   HC   _H19    78     1.09488   110.92304  -179.28783
   69    62 S   CT   _C18    79     1.52636   110.74930  -158.47944
   70    69 S   HC   _H20    80     1.09571   111.48818   -63.14955
   71    69 S   HC   _H21    81     1.09499   110.79677   176.48838
   72    69 S   HC   _H22    82     1.09551   110.79440    56.61339
   73    64 S   CQ   _C5_    54     1.34370   115.44521    -0.07913
   74    73 S   NB   _N5_    55     1.34918   125.19263    -1.11100
   75    73 S   CT   _C4_    60     1.49512   117.42478  -178.64016
   76    75 S   HC   _H3_    61     1.09381   109.69903    88.66429
   77    75 S   HC   _H4_    62     1.09431   110.64227  -151.27747
   78    75 S   HC   _H5_    63     1.09433   110.63476   -31.39678
   79    57 S   CA   _C8_    56     1.39345   124.22634   -76.69222
   80    79 S   NE   _N6_    57     1.38842   121.30927    -4.88162
   81    80 S   H    _H7_    58     1.01145   120.17270    28.56773
   82    80 S   H    _H8_    59     1.01212   116.74865  -178.46992
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   4   5   4   3
   8   2   1   1  15  16   9   5   4   6   3   2   1   9   6   3
   2   6   2   1   9   4   3   6   9  11   4   7   3   9   8   7
   7   3   2   1   3   2   1   1   7   8   4   2   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    39    40    41    47  
   35    36  
   36  
    0  
   38    42    43    44    45    46    50    53    39    40    41    47    48    49    56  
   42    43    44    45    46    50    51    52    53    54    55    57    39    40    41    47  
   40    41    47    48    49    56    58    42    46  
   41    47    48    49    56  
   47    48    49    56  
   43    44    45    46    50    53  
   44    45    46  
   45    46  
   46  
   50    51    52    53    54    55    57    60    79  
   48    49    56    58    59    62  
   49    56    58  
   56    58  
   51    52    53    54    55    57  
   52    53  
   53  
   54    55    57    60    61    64    74    79    80  
   55    57    60    79  
   57    60    79  
   58    59    62    63    65    69  
   60    61    64    73    74    79    80    81    82  
   59    62    63    65    66    67    68    69    70    71    72  
   62    63    65    69  
   61    64    73    74    79    80    75  
   64    73    79  
   63    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   73    74    79    75    76    77    78  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    79    80    75    76    77    78  
   79    80    81    82    75    76    77    78  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.6000   0.3550  -0.007500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.073200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700   0.003200   1.8100   1.6000   0.054801302  -1.445846770
   47   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.065000   1.9750   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   75   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   81   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   82   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   166.000  2.038
   33    37   240.000  1.763
   37    38   549.000  1.340
   37    39   317.000  1.510
   38    42   317.000  1.510
   38    46   400.000  1.384
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    50   490.000  1.335
   46    53   337.000  1.449
   50    51   570.000  1.229
   50    52   350.000  1.101
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   469.000  1.400
   57    79   469.000  1.400
   60    61   367.000  1.080
   60    64   483.000  1.339
   64    73   502.000  1.324
   73    74   502.000  1.324
   73    75   317.000  1.510
   74    79   483.000  1.339
   79    80   481.000  1.340
   80    81   434.000  1.010
   80    82   434.000  1.010
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   320.000  1.410
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    90.00000  106.02000
   33    37    38    65.00000  122.11800
   33    37    39    65.00000  117.37300
   37    38    42    70.00000  124.00000
   37    38    46    75.00000  120.83300
   37    39    40    35.00000  109.50000
   37    39    41    35.00000  109.50000
   37    39    47    70.00000  112.02700
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   38    46    50    70.00000  120.89900
   38    46    53    70.00000  119.94800
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    38    42    70.00000  113.82800
   46    50    51    80.00000  122.90000
   46    50    52    50.00000  110.38700
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    57    75.00000  111.96400
   52    50    51    50.00000  124.15400
   53    46    50    50.00000  121.90000
   53    57    60    70.00000  120.00000
   53    57    79    70.00000  120.00000
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    64    70.00000  124.00000
   57    79    74    70.00000  124.00000
   57    79    80    70.00000  120.10000
   60    64    73    70.00000  118.60000
   64    60    61    35.00000  116.00000
   64    73    74    70.00000  129.10000
   64    73    75    75.00000  115.74700
   73    74    79    70.00000  118.60000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   74    79    80    80.00000  117.25000
   79    57    60    63.00000  120.00000
   79    80    81    35.00000  113.50000
   79    80    82    35.00000  113.50000
   82    80    81    35.00000  109.00000
   75    73    74    75.00000  115.74700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   39    37    38    70.00000  124.00000
   39    47    48    37.50000  110.70000
   39    47    49    37.50000  110.70000
   39    47    56    50.00000  109.50000
   41    39    40    33.00000  107.80000
   47    39    40    37.50000  110.70000
   47    39    41    37.50000  110.70000
   47    56    58    83.00000  116.90000
   49    47    48    33.00000  107.80000
   56    47    48    35.00000  109.50000
   56    47    49    35.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    62    81.00000  111.40000
   58    62    63    35.00000  109.50000
   58    62    65    63.00000  111.10000
   58    62    69    63.00000  111.10000
   62    58    59    80.00000  120.40000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   65    62    63    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   1.00000 -1.0 2.0
   29    33    37    39   1.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    38    46   7.00000 -1.0 2.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    41   0.00000  1.0 1.0
   33    37    39    47   0.09700  1.0 1.0
   33    37    39    47   0.15600 -1.0 2.0
   33    37    39    47  -0.50800  1.0 3.0
   37    38    42    43   0.00000  1.0 1.0
   37    38    42    44   0.00000  1.0 1.0
   37    38    42    45   0.00000  1.0 1.0
   37    38    46    50  -0.18900  1.0 1.0
   37    38    46    50   1.70900 -1.0 2.0
   37    38    46    53  -0.88150  1.0 1.0
   37    38    46    53   2.95600 -1.0 2.0
   37    39    47    48   0.15000  1.0 3.0
   37    39    47    49   0.15000  1.0 3.0
   37    39    47    56   0.61850  1.0 1.0
   37    39    47    56  -0.22750 -1.0 2.0
   37    39    47    56   0.15300  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    41   0.00000  1.0 1.0
   38    37    39    47   0.09850  1.0 1.0
   38    37    39    47   0.15250 -1.0 2.0
   38    37    39    47  -0.50650  1.0 3.0
   38    46    50    51   2.67200 -1.0 2.0
   38    46    50    52   2.45000 -1.0 2.0
   38    46    53    54   0.00000  1.0 1.0
   38    46    53    55   0.00000  1.0 1.0
   38    46    53    57   0.17850 -1.0 2.0
   42    38    46    50  -0.45200  1.0 1.0
   42    38    46    50   0.85900 -1.0 2.0
   42    38    46    50   0.16650  1.0 3.0
   42    38    46    53   1.00000 -1.0 2.0
   46    38    42    43  -0.18050  1.0 3.0
   46    38    42    44  -0.18050  1.0 3.0
   46    38    42    45  -0.18050  1.0 3.0
   46    53    57    60  -0.24500  1.0 1.0
   46    53    57    60   0.48300 -1.0 2.0
   46    53    57    60   0.08900  1.0 3.0
   46    53    57    79  -0.24500  1.0 1.0
   46    53    57    79   0.48300 -1.0 2.0
   46    53    57    79   0.08900  1.0 3.0
   50    46    53    54   0.00000  1.0 1.0
   50    46    53    55   0.00000  1.0 1.0
   50    46    53    57  -0.69800  1.0 1.0
   50    46    53    57  -0.21350 -1.0 2.0
   53    46    50    51   3.04450 -1.0 2.0
   53    46    50    52   0.64600  1.0 1.0
   53    46    50    52   0.00100 -1.0 2.0
   53    46    50    52   0.30400  1.0 3.0
   53    57    60    61   3.62500 -1.0 2.0
   53    57    60    64   3.62500 -1.0 2.0
   53    57    79    74   3.62500 -1.0 2.0
   53    57    79    80   3.62500 -1.0 2.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    79   0.00000  1.0 1.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    79   0.00000  1.0 1.0
   57    60    64    73   3.62500 -1.0 2.0
   57    79    80    81   1.00000 -1.0 2.0
   57    79    80    82   1.00000 -1.0 2.0
   60    57    79    74   3.62500 -1.0 2.0
   60    57    79    80   3.62500 -1.0 2.0
   60    64   -73    74   3.62500 -1.0 2.0
   60    64    73    75   3.62500 -1.0 2.0
   61    60    64    73   3.62500 -1.0 2.0
   64    73    74    79   3.62500 -1.0 2.0
   64    73    75    76   0.00000  1.0 1.0
   64    73    75    77   0.00000  1.0 1.0
   64    73    75    78   0.00000  1.0 1.0
   73    74   -79    57   3.62500 -1.0 2.0
   73    74    79    80   3.62500 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   74    79    80    81   1.75000 -1.0 2.0
   74    79    80    82   1.75000 -1.0 2.0
   79    57    60    61   3.62500 -1.0 2.0
   79    57   -60    64   3.62500 -1.0 2.0
   75    73    74    79   3.62500 -1.0 2.0
   39    37    38    42   7.00000 -1.0 2.0
   39    37    38    46   7.00000 -1.0 2.0
   39    47    56    58  -0.25900  1.0 1.0
   39    47    56    58  -0.47000 -1.0 2.0
   39    47    56    58   0.11750  1.0 3.0
   40    39    47    48   0.15000  1.0 3.0
   40    39    47    49   0.15000  1.0 3.0
   40    39    47    56   0.23400  1.0 3.0
   41    39    47    48   0.15000  1.0 3.0
   41    39    47    49   0.15000  1.0 3.0
   41    39    47    56   0.23400  1.0 3.0
   47    56    58    59   3.00000 -1.0 2.0
   47    56    58    62   1.63150  1.0 1.0
   47    56    58    62   2.92000 -1.0 2.0
   48    47    56    58   0.08050  1.0 3.0
   49    47    56    58   0.08050  1.0 3.0
   56    58    62    63   0.00000  1.0 1.0
   56    58    62    65   0.36750  1.0 3.0
   56    58    62    69   0.36750  1.0 3.0
   58    62    65    66  -0.11250  1.0 3.0
   58    62    65    67  -0.11250  1.0 3.0
   58    62    65    68  -0.11250  1.0 3.0
   58    62    69    70  -0.11250  1.0 3.0
   58    62    69    71  -0.11250  1.0 3.0
   58    62    69    72  -0.11250  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    65   0.30150 -1.0 2.0
   59    58    62    69   0.30150 -1.0 2.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    72   0.15000  1.0 3.0
   65    62    69    70   0.15000  1.0 3.0
   65    62    69    71   0.15000  1.0 3.0
   65    62    69    72   0.15000  1.0 3.0
   69    62    65    66   0.15000  1.0 3.0
   69    62    65    67   0.15000  1.0 3.0
   69    62    65    68   0.15000  1.0 3.0
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    39    37    38  15.00000 -1.0 2.0
   42    46    38    37  15.00000 -1.0 2.0
   53    50    46    38   1.00000 -1.0 2.0
   46    52    50    51  10.50000 -1.0 2.0
   60    79    57    53   4.00000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   75    74    73    64   4.00000 -1.0 2.0
   74    80    79    57   4.00000 -1.0 2.0
   82    79    80    81   1.00000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
END
