* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    217     406
    1     0 S   NP   _N1_     1    28.77546    96.85189   -21.34662
    2     1 S   H    _HN1     2     1.02780    87.78592   -71.33671
    3     1 S   H    _H1_     3     1.02957    78.27689    37.87652
    4     1 S   H    _H2_     4     1.02834    43.09994   169.27929
    5     1 S   CT   _CA1     5     1.50059   152.77334   150.00841
    6     5 S   HC   _HA1     6     1.09575   105.28858    73.17771
    7     5 S   CO3  _C1_     7     1.53696   112.29717   -47.13122
    8     7 S   O2Z  _O11     8     1.26335   114.96852   -48.05666
    9     7 S   O2Z  _O12     9     1.26212   114.88111   131.17807
   10     5 S   CT   _CB1    10     1.53055   107.45719  -168.92438
   11    10 S   HC   HB11    11     1.09824   109.31239   -51.75877
   12    10 S   HC   HB12    12     1.09822   110.49399    64.80071
   13    10 S   CT   _CG1    13     1.52975   112.57762  -172.85859
   14    13 S   HC   HG11    14     1.09621   110.47132   -63.88305
   15    13 S   HC   HG12    15     1.09654   109.99696    55.37015
   16    13 S   C    _CD1    16     1.51765   112.22877   175.72103
   17    16 S   O    _OE1    17     1.22724   123.31647    -1.15657
   18    16 S   N    _N2_    18     1.38581   111.60184   178.81271
   19    18 S   H    _HN2    19     1.01612   118.97441     1.40305
   20    18 S   CT1  _CA2    20     1.46252   123.40361  -179.92867
   21    20 S   HC   _HA2    21     1.09733   109.39175   -10.93933
   22    20 S   C    _C2_    22     1.53375   108.40872  -126.51552
   23    22 S   O    _O2_    23     1.23022   122.39683  -148.09094
   24    20 S   CT   _CB2    32     1.53336   111.20243   111.17561
   25    24 S   HC   HB21    33     1.09443   109.38367    54.81988
   26    24 S   HC   HB22    34     1.09489   110.63867   173.53140
   27    22 S   N    _N3_    24     1.38373   113.44435    39.46872
   28    27 S   H    _HN3    25     1.01645   119.50931    -3.61037
   29    24 S   S    _SG2    35     1.82998   111.23635   -67.05264
   30    27 S   CT   _CA3    26     1.45286   123.10086   176.94405
   31    30 S   HC   HA31    27     1.09552   107.54820   -63.40151
   32    30 S   HC   HA32    28     1.09559   107.91928    52.99823
   33    29 S   CT   _C19    36     1.84819   100.49812   159.79415
   34    30 S   CO3  _C3_    29     1.52928   114.14849   174.98776
   35    34 S   O2Z  _O31    30     1.26363   116.06091    -0.06256
   36    34 S   O2Z  _O32    31     1.26430   114.41050   180.00000
   37    33 S   CO4  _C18    37     1.52737   107.21380   -71.56044
   38    37 S   O    _O36    38     1.22929   122.77918   106.13747
   39    33 S   OS   _O38    74     1.43389   112.65124    43.70686
   40    37 S   CA   _C15    39     1.48905   118.10843   -72.97067
   41    39 S   CT   _C22    75     1.42063   116.55351    75.14013
   42    41 S   HC   _H11    76     1.09369   107.91547  -170.86060
   43    41 S   HC   _H12    77     1.09340   110.69961    71.44453
   44    41 S   HC   _H13    78     1.09315   111.77326   -51.99801
   45    40 S   CA   _C14    40     1.40195   120.04500   -21.25297
   46    45 S   CA   _C13    41     1.41172   119.43706   179.03653
   47    45 S   CO4  _C21    69     1.49048   119.55936    -2.26659
   48    47 S   O    _O37    70     1.22846   120.70874   179.48187
   49    46 S   CA   _C12    42     1.40741   120.68042     0.52115
   50    46 S   OH   _O39    67     1.37118   121.32963  -179.58883
   51    50 S   HO   _H14    68     0.97275   110.00426     0.69605
   52    33 S   CT   _C20    71     1.52521   111.35441   170.80290
   53    52 S   HC   _H9_    72     1.09748   110.43632   -55.65008
   54    52 S   HC   _H10    73     1.09803   110.42485  -173.18721
   55    49 S   CA   _C17    43     1.39168   119.50129    -0.54465
   56    49 S   CO4  _C11    56     1.48344   122.73896   178.55098
   57    56 S   O    _O33    57     1.22235   121.04251    -4.74446
   58    40 S   CA   _C16    44     1.40446   120.48857   158.07256
   59    55 S   OS   _O34    47     1.37154   123.69565   179.77794
   60    58 S   OH   _O35    45     1.37296   122.49663     0.12033
   61    60 S   HO   _H8_    46     0.97337   109.41898     6.06925
   62    59 S   CA   _C9_    48     1.37104   119.14385     3.50543
   63    62 S   CA   _C8_    49     1.40044   114.88705   176.28854
   64    63 S   HA   _H7_    50     1.08609   118.26254    -0.06561
   65    63 S   CA   _C7_    51     1.39148   120.22472  -179.61488
   66    65 S   CA   _C6_    52     1.39753   118.99747    -0.20271
   67    66 S   HA   _H6_    53     1.08908   118.69356   179.91153
   68    65 S   OS   _O40    62     1.36910   125.97151   179.79826
   69    66 S   CA   _C5_    54     1.40734   121.66147     0.23070
   70    68 S   CT   _C23    63     1.42278   116.75491    -2.39784
   71    70 S   HC   _H15    64     1.09428   107.74926  -178.71595
   72    70 S   HC   _H16    65     1.09497   111.09332    63.56013
   73    70 S   HC   _H17    66     1.09510   111.17867   -60.93600
   74    62 S   CA   _C10    55     1.39590   124.25035    -3.61785
   75    69 S   CT   _C4_    58     1.50363   117.77858   179.42495
   76    75 S   HC   _H3_    59     1.09441   110.46908   116.52965
   77    75 S   HC   _H4_    60     1.09457   110.50817  -121.21153
   78    75 S   HC   _H5_    61     1.09568   111.62782    -2.46815
  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  10   5   4   3
  15   2   1   1  13   5   9  12   4   2   1   1  13  12   7   3
  11   3   1   2   1   1   9   9   3   4   7   1   1   8   8   4
  10   9   4   5   5   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    54    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    58    47    48    52    53    54    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    55    58    60    47    52    53    54    39    41  
   40    45    58    52    39  
   41    42    43    44    40    47    52    53    54  
   45    46    49    55    58    60    61    59    50    47    48    52  
   42    43    44    52  
   43    44  
   44  
    0  
   46    49    55    58    60    56    50    51    47    48    52    53    54  
   49    55    58    59    74    56    57    50    51    47    48    52  
   48    52    53    54    49    50    58  
   52    53    54  
   55    58    60    59    62    69    74    56    57    50    51  
   51    55    56  
    0  
   53    54  
   54  
    0  
   58    60    61    59    62    63    74    56    57  
   57    75    58    59    62    63    66    69    74  
   62    69    74  
   60    61    59    62  
   62    63    64    65    69    74    60  
   61  
    0  
   63    64    65    66    69    74    75    68  
   64    65    66    67    69    74    68    70  
   65    66    74    68  
   66    67    69    74    75    68    70    71    72    73  
   67    69    74    75    76    77    78    68    70  
   69    74    75    68  
   70    71    72    73    69  
   74    75    76    77    78  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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  -0.316400   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   0.396900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.085000   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    52   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    45   469.000  1.400
   40    58   469.000  1.400
   45    46   469.000  1.400
   45    47   310.000  1.470
   46    49   469.000  1.400
   46    50   450.000  1.364
   49    55   469.000  1.400
   49    56   310.000  1.470
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    60   450.000  1.364
   60    61   553.000  0.945
   59    62   450.000  1.364
   62    63   469.000  1.400
   62    74   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    68   450.000  1.364
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    74   469.000  1.400
   69    75   317.000  1.510
   74    56   310.000  1.470
   56    57   570.000  1.229
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   50    51   553.000  0.945
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    52    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    52    47    63.00000  111.10000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   33    39    41    60.00000  109.50000
   37    40    45    60.00000  119.52600
   37    40    58    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    45    46    63.00000  120.00000
   40    45    47    60.00000  119.52600
   40    58    55    63.00000  120.00000
   40    58    60    70.00000  120.00000
   45    46    49    63.00000  120.00000
   45    46    50    70.00000  120.00000
   45    47    48    75.00000  123.78400
   45    47    52    65.00000  115.47100
   46    49    55    63.00000  120.00000
   46    49    56    60.00000  119.52600
   46    50    51    35.00000  113.00000
   49    55    58    63.00000  120.00000
   49    55    59    70.00000  120.00000
   49    56    74    65.00000  116.00000
   49    56    57    75.00000  123.78400
   55    58    60    70.00000  120.00000
   55    59    62    85.00000  114.70000
   58    40    45    63.00000  120.00000
   58    60    61    35.00000  113.00000
   59    55    58    70.00000  120.00000
   59    62    63    70.00000  120.00000
   59    62    74    70.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    74    69    63.00000  120.00000
   62    74    56    60.00000  119.52600
   63    65    66    63.00000  120.00000
   63    65    68    70.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    69    63.00000  120.00000
   65    68    70    75.00000  111.00000
   66    69    74    63.00000  120.00000
   66    69    75    70.00000  120.00000
   69    66    67    35.00000  120.00000
   69    74    56    60.00000  119.52600
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   74    62    63    63.00000  120.00000
   74    56    57    75.00000  123.78400
   56    49    55    60.00000  119.52600
   75    69    74    70.00000  120.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    65    66    70.00000  120.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   50    46    49    70.00000  120.00000
   47    45    46    60.00000  119.52600
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   52    33    37    63.00000  111.10000
   52    47    48    80.00000  120.40000
   54    52    53    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    52    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.56750  1.0 1.0
   29    33    52    47  -0.07550 -1.0 2.0
   29    33    52    47   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45   2.26350  1.0 1.0
   33    37    40    45   0.76750 -1.0 2.0
   33    37    40    45   0.22500  1.0 3.0
   33    37    40    58   2.26350  1.0 1.0
   33    37    40    58   0.76750 -1.0 2.0
   33    37    40    58   0.22500  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    52    47   0.11950  1.0 1.0
   37    33    52    47   0.20300 -1.0 2.0
   37    33    52    47  -0.70800  1.0 3.0
   37    33    52    53  -0.11250  1.0 3.0
   37    33    52    54  -0.11250  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40    45    46   3.62500 -1.0 2.0
   37    40   -45    47   3.62500 -1.0 2.0
   37    40    58    55   3.62500 -1.0 2.0
   37    40    58    60   3.62500 -1.0 2.0
   38    37    40    45   1.05000 -1.0 2.0
   38    37    40    58   1.05000 -1.0 2.0
   40    45    46    49   3.62500 -1.0 2.0
   40    45    46    50   3.62500 -1.0 2.0
   40    45    47    48   1.05000 -1.0 2.0
   40    45    47    52   2.26350  1.0 1.0
   40    45    47    52   0.76750 -1.0 2.0
   40    45    47    52   0.22500  1.0 3.0
   40    58    60    61   0.84100 -1.0 2.0
   45    40    58    55   3.62500 -1.0 2.0
   45    40    58    60   3.62500 -1.0 2.0
   45    46   -49    55   3.62500 -1.0 2.0
   45    46    49    56   3.62500 -1.0 2.0
   45    46    50    51   0.84100 -1.0 2.0
   45    47   -52    33   0.05850 -1.0 2.0
   45    47   -52    33   0.17250  1.0 3.0
   45    47    52    53   0.00000  1.0 1.0
   45    47    52    54   0.00000  1.0 1.0
   46    45    47    48   1.05000 -1.0 2.0
   46    45    47    52   2.26350  1.0 1.0
   46    45    47    52   0.76750 -1.0 2.0
   46    45    47    52   0.22500  1.0 3.0
   46    49    55    58   3.62500 -1.0 2.0
   46    49    55    59   3.62500 -1.0 2.0
   46    49    56    74   0.56600 -1.0 2.0
   46    49    56    57   1.05000 -1.0 2.0
   49    46    50    51   0.84100 -1.0 2.0
   49    55   -58    40   3.62500 -1.0 2.0
   49    55    58    60   3.62500 -1.0 2.0
   49    55    59    62   0.47150 -1.0 2.0
   55    49    56    74   0.56600 -1.0 2.0
   55    49    56    57   1.05000 -1.0 2.0
   55    58    60    61   0.84100 -1.0 2.0
   55    59    62    63   0.47150 -1.0 2.0
   55    59   -62    74   0.47150 -1.0 2.0
   58    40   -45    46   3.62500 -1.0 2.0
   58    40    45    47   3.62500 -1.0 2.0
   58    55    59    62   0.47150 -1.0 2.0
   59    55    58    40   3.62500 -1.0 2.0
   59    55    58    60   3.62500 -1.0 2.0
   59    62    63    64   3.62500 -1.0 2.0
   59    62    63    65   3.62500 -1.0 2.0
   59    62    74    69   3.62500 -1.0 2.0
   59    62    74    56   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    68   3.62500 -1.0 2.0
   62    74   -56    49   0.56600 -1.0 2.0
   62    74    56    57   1.05000 -1.0 2.0
   63    62    74    69   3.62500 -1.0 2.0
   63    62    74    56   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65   -66    69   3.62500 -1.0 2.0
   63    65    68    70   1.63200 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    68   3.62500 -1.0 2.0
   65    66    69    74   3.62500 -1.0 2.0
   65    66    69    75   3.62500 -1.0 2.0
   65    68    70    71   0.08050  1.0 3.0
   65    68    70    72   0.08050  1.0 3.0
   65    68    70    73   0.08050  1.0 3.0
   66    65    68    70   1.63200 -1.0 2.0
   66    69   -74    62   3.62500 -1.0 2.0
   66    69    74    56   3.62500 -1.0 2.0
   66    69    75    76   0.00000  1.0 1.0
   66    69    75    77   0.00000  1.0 1.0
   66    69    75    78   0.00000  1.0 1.0
   67    66    69    74   3.62500 -1.0 2.0
   67    66    69    75   3.62500 -1.0 2.0
   69    74    56    49   0.56600 -1.0 2.0
   69    74    56    57   1.05000 -1.0 2.0
   74    62    63    64   3.62500 -1.0 2.0
   74    62   -63    65   3.62500 -1.0 2.0
   74    69    75    76   0.00000  1.0 1.0
   74    69    75    77   0.00000  1.0 1.0
   74    69    75    78   0.00000  1.0 1.0
   56    49    55    58   3.62500 -1.0 2.0
   56    49   -55    59   3.62500 -1.0 2.0
   75    69    74    62   3.62500 -1.0 2.0
   75    69    74    56   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    69   3.62500 -1.0 2.0
   50    46    49    55   3.62500 -1.0 2.0
   50    46    49    56   3.62500 -1.0 2.0
   47    45    46    49   3.62500 -1.0 2.0
   47    45    46    50   3.62500 -1.0 2.0
   48    47    52    33   0.30150 -1.0 2.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.05850 -1.0 2.0
   52    33   -37    40   0.17250  1.0 3.0
   52    33    39    41   0.06250  1.0 1.0
   52    33    39    41  -0.01100 -1.0 2.0
   52    33    39    41   0.28050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47  -0.09450  1.0 1.0
   39    33    52    47  -1.12950 -1.0 2.0
   39    33    52    47   0.54000  1.0 3.0
   39    33    52    53   0.23400  1.0 3.0
   39    33    52    54   0.23400  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    40    37    38  10.50000 -1.0 2.0
   45    58    40    37   4.00000 -1.0 2.0
   46    47    45    40   4.00000 -1.0 2.0
   49    50    46    45   4.00000 -1.0 2.0
   55    56    49    46   4.00000 -1.0 2.0
   58    59    55    49   4.00000 -1.0 2.0
   55    60    58    40   4.00000 -1.0 2.0
   63    74    62    59   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   66    68    65    63   4.00000 -1.0 2.0
   69    67    66    65   1.10000 -1.0 2.0
   74    75    69    66   4.00000 -1.0 2.0
   69    56    74    62   4.00000 -1.0 2.0
   49    74    56    57  10.50000 -1.0 2.0
   45    52    47    48  10.50000 -1.0 2.0
END
