* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    143    216     420
    1     0 S   NP   _N1_     1    31.77250    90.98824   -28.19762
    2     1 S   H    _HN1     2     1.02773   122.04202  -122.29072
    3     1 S   H    _H1_     3     1.02928   112.04106     8.31737
    4     1 S   H    _H2_     4     1.02809    20.49524   -71.42862
    5     1 S   CT   _CA1     5     1.50143    90.80838   120.50218
    6     5 S   HC   _HA1     6     1.09557   105.23737    63.55385
    7     5 S   CO3  _C1_     7     1.53870   112.37010   -56.77616
    8     7 S   O2Z  _O11     8     1.26389   115.05674   -40.21448
    9     7 S   O2Z  _O12     9     1.26259   114.90505   138.61055
   10     5 S   CT   _CB1    10     1.52938   107.30021  -178.37009
   11    10 S   HC   HB11    11     1.09833   109.55840   -47.56789
   12    10 S   HC   HB12    12     1.09731   110.15664    68.91760
   13    10 S   CT   _CG1    13     1.53053   112.97329  -168.78204
   14    13 S   HC   HG11    14     1.09547   110.60647   -60.13268
   15    13 S   HC   HG12    15     1.09609   110.17896    59.34952
   16    13 S   C    _CD1    16     1.51690   111.61499   179.50189
   17    16 S   O    _OE1    17     1.22816   123.12031    -7.37714
   18    16 S   N    _N2_    18     1.38782   112.21279   172.90046
   19    18 S   H    _HN2    19     1.01569   119.33207     3.77190
   20    18 S   CT1  _CA2    20     1.45948   122.63475  -177.59759
   21    20 S   HC   _HA2    21     1.09476   108.71389     8.14618
   22    20 S   C    _C2_    22     1.53663   110.15313  -106.96170
   23    22 S   O    _O2_    23     1.23111   121.71838  -150.76529
   24    20 S   CT   _CB2    32     1.53580   112.57534   129.57161
   25    24 S   HC   HB21    33     1.09689   109.24664    73.90469
   26    24 S   HC   HB22    34     1.09605   110.12744  -170.09345
   27    22 S   N    _N3_    24     1.38333   114.11642    36.72672
   28    27 S   H    _HN3    25     1.01438   119.16190    -0.48051
   29    24 S   S    _SG2    35     1.83113   117.29777   -45.83100
   30    27 S   CT   _CA3    26     1.45466   123.47435   175.08135
   31    30 S   HC   HA31    27     1.09517   109.39243    22.85641
   32    30 S   HC   HA32    28     1.09502   107.11554   139.86252
   33    29 S   CT   _C7_    36     1.82907   102.06490   -52.64685
   34    33 S   HC   _H3_    37     1.09159   108.34163    57.85707
   35    30 S   CO3  _C3_    29     1.52898   112.87303  -100.71261
   36    35 S   O2Z  _O31    30     1.26415   115.27698   -48.52520
   37    35 S   O2Z  _O32    31     1.26333   115.07073   132.34397
   38    33 S   C    _C8_    38     1.52177   110.41070   -62.69618
   39    38 S   O    _O35    39     1.22885   122.94309   -59.96577
   40    33 S   CT   _C6_    73     1.53556   110.11628   176.76796
   41    40 S   HC   _H9_    74     1.09693   111.17533    43.64598
   42    40 S   HC   _H10    75     1.09689   109.43098   162.19391
   43    38 S   N    _N4_    40     1.38526   112.40906   121.95218
   44    43 S   H    _H11    41     1.01592   119.55758    -2.03644
   45    40 S   CO4  _C5_    76     1.51459   112.88455   -79.46223
   46    45 S   O    _O34    77     1.22312   125.27372    -7.58613
   47    43 S   CT   _C9_    42     1.45398   123.56918   173.27582
   48    47 S   HC   _H12    43     1.09597   108.70253    35.96335
   49    47 S   HC   _H13    44     1.09619   106.47371   152.37913
   50    45 S   OS   _O33    78     1.36514   109.15397   173.35890
   51    47 S   CT1  _C10    45     1.53396   111.57032   -86.15974
   52    51 S   HC   _H4_    46     1.09639   109.91517    62.80790
   53    50 S   CT   _C4_    79     1.43080   115.02213   178.29877
   54    53 S   HC   _H6_    80     1.09324   108.10102   179.80820
   55    53 S   HC   _H7_    81     1.09429   110.33541    61.08991
   56    53 S   HC   _H8_    82     1.09418   110.28506   -61.53019
   57    51 S   C    _C11    47     1.52995   109.64318   -58.03936
   58    57 S   O    _O36    48     1.22902   123.14548   -78.54120
   59    51 S   NT   _N6_    70     1.46351   110.59317  -177.34075
   60    59 S   H    _H22    71     1.01918   109.61365   -61.28292
   61    59 S   H    _H23    72     1.01955   109.54579  -177.55608
   62    57 S   N    _N5_    49     1.38676   112.16863    98.78524
   63    62 S   H    _H14    50     1.01581   119.59326     2.76052
   64    62 S   CT1  _C12    51     1.46575   123.71048  -172.42324
   65    64 S   HC   _H5_    52     1.09712   107.77189   -32.79771
   66    64 S   CO3  _C20    53     1.54260   110.29361  -152.47507
   67    66 S   O2Z  _O38    54     1.26470   115.41522   -55.83090
   68    66 S   O2Z  _O37    55     1.26364   114.96739   123.34205
   69    64 S   CT   _C13    56     1.53765   109.23807    86.60214
   70    69 S   HC   _H15    57     1.09725   110.61725    62.81811
   71    69 S   HC   _H16    58     1.09868   109.78383   -52.21003
   72    69 S   CA   _C14    59     1.50867   113.81875  -173.64664
   73    72 S   CA   _C15    60     1.40177   120.50180   -96.91268
   74    73 S   HA   _H17    61     1.08751   120.31959    -0.49653
   75    73 S   CA   _C16    62     1.39521   120.48767   179.20623
   76    75 S   HA   _H18    63     1.08628   119.84301  -179.54846
   77    75 S   CA   _C17    64     1.39341   120.02885     0.28462
   78    77 S   HA   _H19    65     1.08606   120.04583  -179.85329
   79    77 S   CA   _C18    66     1.39398   119.94179    -0.25793
   80    79 S   HA   _H20    67     1.08625   120.00422  -179.68784
   81    72 S   CA   _C19    68     1.40071   120.45268    82.29056
   82    81 S   HA   _H21    69     1.08729   120.26404     0.41590
  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   9   5   4   3
  12   7   2   1   1  11   4   7   4   3   8   4   6   2  10   5
   4   4   9   6   3   2   1   1  10   4   3   1   1  10   4  10
   7   6   2   1   9   4   3   9   8   4   6   3   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    53    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    51    52    57    59  
   47    48    49    51  
   46    50    53    54    55    56  
   50    53  
   48    49    51    52    57    58    62    59    60    61  
   49    51    52    57    59  
   51    52    57    59  
   53    54    55    56  
   52    57    58    62    63    64    59    60    61  
   57    58    62    59    60    61  
   54    55    56  
   55    56  
   56  
    0  
   58    62    63    64    65    66    69    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    64    65    66    67    68    69    70    71    72  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73    81  
   66    67    68    69    70    71    72  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72    73    74    75    79    81    82  
   71    72    73    81  
   72    73    81  
   73    74    75    76    77    79    80    81    82  
   74    75    76    77    78    79    81    82  
   75    76    77    81  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   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   0.047500   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   490.000  1.335
   43    44   434.000  1.010
   43    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    57   317.000  1.522
   51    59   305.000  1.457
   57    58   570.000  1.229
   57    62   490.000  1.335
   62    63   434.000  1.010
   62    64   337.000  1.449
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    69   268.000  1.529
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   469.000  1.400
   72    81   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   59    60   434.000  1.010
   59    61   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    53   320.000  1.410
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.60000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  119.80000
   38    43    47    50.00000  121.90000
   43    38    39    80.00000  122.90000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    51    70.00000  110.72300
   47    43    44    38.00000  118.40000
   47    51    52    37.50000  110.70000
   47    51    57    63.00000  111.10000
   47    51    59    80.00000  111.22000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    57    58    80.00000  120.40000
   51    57    62    70.00000  116.60000
   51    59    60    50.00000  111.55300
   51    59    61    50.00000  111.55300
   57    51    52    35.00000  109.50000
   57    62    63    35.00000  119.80000
   57    62    64    50.00000  121.90000
   62    57    58    80.00000  122.90000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  110.10000
   62    64    69    80.00000  109.70000
   64    62    63    38.00000  118.40000
   64    66    67    70.00000  117.00000
   64    66    68    70.00000  117.00000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    63.00000  114.00000
   66    64    65    35.00000  109.50000
   68    66    67    80.00000  126.00000
   69    64    65    37.50000  110.70000
   69    64    66    63.00000  111.10000
   69    72    73    70.00000  120.00000
   69    72    81    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    81    79    63.00000  120.00000
   72    81    82    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   81    72    73    63.00000  120.00000
   81    79    80    35.00000  120.00000
   59    51    52    50.00000  109.55000
   59    51    57    75.00000  111.54000
   61    59    60    43.60000  106.40000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    45    46    80.00000  120.40000
   40    45    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    53    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   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    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   2.45000 -1.0 2.0
   33    38    43    47   1.49850  1.0 1.0
   33    38    43    47   1.53950 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    45   0.11950  1.0 1.0
   38    33    40    45   0.20300 -1.0 2.0
   38    33    40    45  -0.70800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    51  -0.43950  1.0 1.0
   38    43    47    51  -0.08100 -1.0 2.0
   38    43    47    51   0.03350  1.0 3.0
   39    38    43    44   2.45000 -1.0 2.0
   39    38    43    47   3.04450 -1.0 2.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    57  -2.10200  1.0 1.0
   43    47    51    57  -0.31600 -1.0 2.0
   43    47    51    57   0.13050  1.0 3.0
   43    47    51    59   2.65250  1.0 1.0
   43    47    51    59   0.86150 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    51   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    62   0.93250  1.0 1.0
   47    51    57    62   0.04450 -1.0 2.0
   47    51    57    62   0.17550  1.0 3.0
   47    51    59    60  -0.05950  1.0 1.0
   47    51    59    60   0.08850 -1.0 2.0
   47    51    59    60   0.11750  1.0 3.0
   47    51    59    61  -0.05950  1.0 1.0
   47    51    59    61   0.08850 -1.0 2.0
   47    51    59    61   0.11750  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    57  -0.03800  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    57  -0.03800  1.0 3.0
   49    47    51    59   0.15000  1.0 3.0
   51    57    62    63   2.45000 -1.0 2.0
   51    57    62    64   1.15000  1.0 1.0
   51    57    62    64   3.04450 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    62   0.00000  1.0 1.0
   52    51    59    60   0.20000  1.0 3.0
   52    51    59    61   0.20000  1.0 3.0
   57    51    59    60   0.21900  1.0 1.0
   57    51    59    60  -0.24900 -1.0 2.0
   57    51    59    60   0.15200  1.0 3.0
   57    51    59    61   0.21900  1.0 1.0
   57    51    59    61  -0.24900 -1.0 2.0
   57    51    59    61   0.15200  1.0 3.0
   57    62    64    65   0.00000  1.0 1.0
   57    62    64    66  -0.29800  1.0 1.0
   57    62    64    66   0.13950 -1.0 2.0
   57    62    64    66  -2.45650  1.0 3.0
   57    62    64    69   0.25950  1.0 1.0
   57    62    64    69   0.43850 -1.0 2.0
   57    62    64    69   2.61650  1.0 3.0
   58    57    62    63   2.45000 -1.0 2.0
   58    57    62    64   3.04450 -1.0 2.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    69    70   0.23200  1.0 3.0
   62    64    69    71   0.23200  1.0 3.0
   62    64    69    72   0.42250  1.0 1.0
   62    64    69    72  -0.48100 -1.0 2.0
   62    64    69    72   0.35650  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.00000  1.0 1.0
   64    69    72    73   0.00000  1.0 1.0
   64    69    72    81   0.00000  1.0 1.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.23100  1.0 3.0
   66    64    69    70  -0.03800  1.0 3.0
   66    64    69    71  -0.03800  1.0 3.0
   66    64    69    72  -0.84850  1.0 1.0
   66    64    69    72  -0.22800 -1.0 2.0
   66    64    69    72   0.29250  1.0 3.0
   69    64    66    67   0.00000  1.0 1.0
   69    64    66    68   0.00000  1.0 1.0
   69    72    73    74   3.62500 -1.0 2.0
   69    72    73    75   3.62500 -1.0 2.0
   69    72    81    79   3.62500 -1.0 2.0
   69    72    81    82   3.62500 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    81   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    81   0.00000  1.0 1.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   73    72    81    79   3.62500 -1.0 2.0
   73    72    81    82   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -81    72   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   80    79    81    72   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    72    73    74   3.62500 -1.0 2.0
   81    72   -73    75   3.62500 -1.0 2.0
   59    51    57    58   0.30150 -1.0 2.0
   59    51    57    62   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   1.39750  1.0 1.0
   40    33    38    43  -0.07950 -1.0 2.0
   40    33    38    43  -0.18750  1.0 3.0
   40    45    50    53   1.63150  1.0 1.0
   40    45    50    53   2.92000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    53    54   0.08050  1.0 3.0
   45    50    53    55   0.08050  1.0 3.0
   45    50    53    56   0.08050  1.0 3.0
   46    45    50    53   3.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   44    38    43    47   1.00000 -1.0 2.0
   51    62    57    58  10.50000 -1.0 2.0
   63    57    62    64   1.00000 -1.0 2.0
   67    64    66    68  10.50000 -1.0 2.0
   73    81    72    69   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    72   1.10000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
END
