* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    147    236     429
    1     0 S   NP   _N1_     1    30.66210    90.96072   -17.89154
    2     1 S   H    _HN1     2     1.03268   138.11160    75.39300
    3     1 S   H    _H1_     3     1.02798    32.09500    57.03952
    4     1 S   H    _H2_     4     1.02772    98.50154   -53.33951
    5     1 S   CT   _CA1     5     1.50188    87.78675  -165.40060
    6     5 S   HC   _HA1     6     1.09540   105.36898    40.11256
    7     5 S   CO3  _C1_     7     1.53600   112.55812   -80.62415
    8     7 S   O2Z  _O11     8     1.26389   115.06878   -43.39751
    9     7 S   O2Z  _O12     9     1.26212   115.03182   135.98132
   10     5 S   CT   _CB1    10     1.52851   107.17647   158.43326
   11    10 S   HC   HB11    11     1.09860   109.48610   -48.40649
   12    10 S   HC   HB12    12     1.09767   109.80824    67.60189
   13    10 S   CT   _CG1    13     1.53245   113.45943  -169.82515
   14    13 S   HC   HG11    14     1.09387   111.35336   -66.30052
   15    13 S   HC   HG12    15     1.09567   110.79543    53.44310
   16    13 S   C    _CD1    16     1.51460   109.29136   172.76199
   17    16 S   O    _OE1    17     1.22839   121.81694  -101.32511
   18    16 S   N    _N2_    18     1.38323   112.76515    75.15590
   19    18 S   H    _HN2    19     1.01600   119.32197    10.91230
   20    18 S   CT1  _CA2    20     1.45989   122.79841  -166.60694
   21    20 S   HC   _HA2    21     1.09697   109.64407    13.55767
   22    20 S   C    _C2_    22     1.52525   105.73808  -104.37339
   23    22 S   O    _O2_    23     1.22980   122.68030   -87.82651
   24    20 S   CT   _CB2    32     1.53695   111.07589   134.80209
   25    24 S   HC   HB21    33     1.09292   109.46875    63.65282
   26    24 S   HC   HB22    34     1.09451   109.80068  -177.29846
   27    22 S   N    _N3_    24     1.38530   112.73202    88.21167
   28    27 S   H    _HN3    25     1.01551   119.64143     3.25859
   29    24 S   S    _SG2    35     1.83078   110.10046   -56.08911
   30    27 S   CT   _CA3    26     1.45397   122.66033  -179.81337
   31    30 S   HC   HA31    27     1.09561   108.63725    36.40825
   32    30 S   HC   HA32    28     1.09481   107.28829   153.29428
   33    29 S   CT   _C7_    36     1.89390   103.51172  -176.19641
   34    30 S   CO3  _C3_    29     1.52978   113.55916   -86.62011
   35    34 S   O2Z  _O31    30     1.26372   115.64376   -40.01797
   36    34 S   O2Z  _O32    31     1.26396   114.82159   140.82548
   37    33 S   CT   _C8_    37     1.55780   112.89992   -38.98037
   38    37 S   HC   _H12    38     1.09599   110.96030    62.63461
   39    37 S   HC   _H13    39     1.09478   110.65605   178.41600
   40    33 S   CM   _C6_    74     1.52906   103.70505    79.00987
   41    40 S   HC   _H11    75     1.08996   115.50686   -87.85211
   42    37 S   S    _S1_    40     1.82803   116.22573   -59.60950
   43    40 S   CM   _C5_    76     1.34340   127.28483    91.47912
   44    43 S   HC   _H10    77     1.08579   120.51472    -0.69970
   45    42 S   C4T  _C9_    41     1.81963    97.55943   -54.92722
   46    45 S   HC   _H3_    42     1.09470   114.45518   -79.19840
   47    43 S   CT   _C4_    78     1.49366   123.69196  -179.98022
   48    47 S   HC   _H7_    79     1.09427   109.85262  -120.71818
   49    47 S   HC   _H8_    80     1.09451   112.37487    -0.27483
   50    47 S   HC   _H9_    81     1.09426   109.87625   120.19541
   51    45 S   C4T  _C10    43     1.55611   116.62087   143.72872
   52    51 S   HC   _H4_    44     1.09775   113.44931   143.63591
   53    45 S   N4   _N4_    47     1.45461   108.74144    47.88857
   54    51 S   C4   _C11    45     1.55172    85.20629  -104.94891
   55    54 S   O    _O33    46     1.20979   136.37331   174.68906
   56    33 S   CT1  _C12    48     1.57010   105.41772  -159.88027
   57    56 S   HC   _H5_    49     1.10031   108.98536   -42.69154
   58    51 S   N    _N5_    53     1.47930   119.15129    10.97786
   59    58 S   H    _H14    54     1.02061   119.48156  -111.83561
   60    56 S   CO3  _C13    50     1.55317   117.76842  -162.22341
   61    60 S   O2Z  _O35    51     1.26100   116.69100   -28.48106
   62    60 S   O2Z  _O34    52     1.26610   114.23553   152.32020
   63    58 S   C    _C14    55     1.39141   122.44108    72.68076
   64    63 S   O    _O36    56     1.23045   123.41941    -0.99268
   65    63 S   CT1  _C15    57     1.53357   113.05099   177.56145
   66    65 S   HC   _H6_    58     1.09752   106.60158   -53.41129
   67    65 S   CA   _C16    59     1.51598   112.93343    67.24723
   68    65 S   NT   _N6_    71     1.46728   108.81889  -169.36868
   69    68 S   H    _H20    72     1.01927   109.32608   172.53786
   70    68 S   H    _H21    73     1.01944   109.36001    56.66030
   71    67 S   CA   _C17    60     1.40366   119.71070  -133.48416
   72    71 S   HA   _H15    61     1.08765   120.36665     0.12972
   73    71 S   CA   _C18    62     1.39528   120.77457   179.77794
   74    73 S   HA   _H16    63     1.08626   119.80807  -179.34508
   75    73 S   CA   _C19    64     1.39006   119.61673    -0.13706
   76    75 S   CA   _C20    65     1.39166   120.69365     1.27426
   77    76 S   HA   _H17    66     1.08613   120.94518   179.29031
   78    75 S   OH   _O37    69     1.36577   118.17354  -178.54465
   79    78 S   HO   _H19    70     0.97409   108.50647   170.67804
   80    67 S   CA   _C21    67     1.40387   121.69362    48.04250
   81    80 S   HA   _H18    68     1.08734   120.36799     0.63919
  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  12   5   4   3
  17   2   1   1  13   5   4  12   4   8   6   4  12   6   3   2
   1   1  10   6   8   7   2   4   3   7   3   2   1   1   9   4
  11   6  12   4   1   1   8   4   7   3   6   5   3   2   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    53    56    57    60    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    54    53    56    57    60    61    62    40    41    43    44    47  
   35    36  
   36  
    0  
   38    39    42    45    46    51    53    56    57    60    40    41    43  
   39    42    45    56    40  
   42    45    56    40  
   41    43    44    47    48    49    50    42    53    56    57    60  
   43    44    47    56  
   45    46    51    52    54    53    56    58  
   44    47    48    49    50    56  
   47    48    49    50  
   46    51    52    54    55    53    56    57    60    58    59    63  
   51    52    54    53    56    58  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    53    56    58    59    63    64    65  
   54    55    53    58    59    63  
   56    57    60    61    62    58    54    55  
   55    56    57    60    58    59    63  
   56    58  
   57    60    61    62  
   60    61    62  
   59    63    64    65    66    67    68  
   63    64    65  
   61    62  
   62  
    0  
   64    65    66    67    71    80    68    69    70  
   65    66    67    68  
   66    67    71    72    73    76    80    81    68    69    70  
   67    71    80    68    69    70  
   71    72    73    74    75    76    77    80    81    68    69    70  
   69    70    71    80  
   70  
    0  
   72    73    74    75    76    80    81    78  
   73    74    75    80  
   74    75    76    77    80    78    79  
   75    76    78  
   76    77    80    81    78    79  
   77    80    81    78    79  
   80    81    78  
   79    80  
    0  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    56   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   222.000  1.810
   42    45   200.000  1.824
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    53   305.000  1.456
   51    52   340.000  1.090
   51    54   250.000  1.540
   51    58   337.000  1.449
   54    55   930.000  1.212
   54    53   440.000  1.369
   53    56   337.000  1.449
   56    57   340.000  1.090
   56    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   58    59   434.000  1.010
   58    63   490.000  1.335
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   275.000  1.474
   65    68   305.000  1.457
   67    71   469.000  1.400
   67    80   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   78    79   553.000  0.945
   68    69   434.000  1.010
   68    70   434.000  1.010
   40    41   340.000  1.080
   40    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    75.00000  111.63000
   33    56    53    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    60    63.00000  111.10000
   33    40    41    35.00000  117.00000
   33    40    43    70.00000  124.00000
   37    42    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    46    45.00000  109.41400
   42    45    51    65.00000  119.05700
   42    45    53    80.00000  108.62000
   45    51    52    37.50000  110.70000
   45    51    54   100.00000   86.36000
   45    51    58    80.00000  110.05700
   45    53    54   100.00000   93.00000
   45    53    56    50.00000  132.70000
   51    45    46    37.50000  110.70000
   51    54    55    60.00000  136.58000
   51    54    53    95.00000   92.72400
   51    58    59    38.00000  118.40000
   51    58    63    50.00000  121.90000
   54    51    52    40.00000  113.37500
   54    53    56    50.00000  132.10000
   53    45    46    50.00000  112.01000
   53    45    51   105.00000   87.49700
   53    54    55    75.00000  131.60000
   53    56    57    35.00000  109.50000
   53    56    60    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    60    61    70.00000  117.00000
   56    60    62    70.00000  117.00000
   60    56    57    35.00000  109.50000
   62    60    61    80.00000  126.00000
   58    51    52    50.00000  112.01000
   58    51    54    75.00000  110.24000
   58    63    64    80.00000  122.90000
   58    63    65    70.00000  116.60000
   63    58    59    35.00000  119.80000
   63    65    66    35.00000  109.50000
   63    65    67    70.00000  102.60000
   63    65    68    75.00000  111.54000
   65    63    64    80.00000  120.40000
   65    67    71    60.00000  125.54000
   65    67    80    60.00000  125.54000
   65    68    69    50.00000  111.55300
   65    68    70    50.00000  111.55300
   67    65    66    45.00000  110.88000
   67    71    72    35.00000  120.00000
   67    71    73    63.00000  120.00000
   67    80    76    63.00000  120.00000
   67    80    81    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    78    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    80    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    80    81    35.00000  120.00000
   80    67    71    63.00000  120.00000
   80    76    77    35.00000  120.00000
   78    75    76    70.00000  120.00000
   68    65    66    50.00000  109.55000
   68    65    67    75.00000  112.33000
   70    68    69    43.60000  106.40000
   40    33    37    70.00000  112.02700
   40    33    56    70.00000  112.02700
   40    43    44    35.00000  120.00000
   40    43    47    70.00000  124.00000
   43    40    41    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   47    43    44    35.00000  117.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    56    53   0.71400  1.0 1.0
   29    33    56    53   0.04300 -1.0 2.0
   29    33    56    53   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60  -2.17200  1.0 1.0
   29    33    56    60  -0.85700 -1.0 2.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    37    42    45  -0.25000 -1.0 2.0
   33    37    42    45  -0.01800  1.0 3.0
   33    56    60    61   0.00000  1.0 1.0
   33    56    60    62   0.00000  1.0 1.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    47   7.00000 -1.0 2.0
   37    33    56    53   0.42250  1.0 1.0
   37    33    56    53  -0.48100 -1.0 2.0
   37    33    56    53   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    60  -0.84850  1.0 1.0
   37    33    56    60  -0.22800 -1.0 2.0
   37    33    56    60   0.29250  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    43   0.09850  1.0 1.0
   37    33    40    43   0.15250 -1.0 2.0
   37    33    40    43  -0.50650  1.0 3.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    51   0.25150  1.0 1.0
   37    42    45    51  -1.17200 -1.0 2.0
   37    42    45    51   0.53050  1.0 3.0
   37    42   -45    53   0.01700  1.0 1.0
   37    42   -45    53  -0.23550 -1.0 2.0
   37    42   -45    53   0.21350  1.0 3.0
   38    37    42    45   0.32350  1.0 3.0
   39    37    42    45   0.32350  1.0 3.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    54   0.00000  1.0 1.0
   42    45    51    58   0.00000  1.0 1.0
   42    45   -53    54   0.00000  1.0 1.0
   42    45    53    56   0.00000  1.0 1.0
   45    51    54    55  -0.11250  1.0 1.0
   45    51    54    55   0.11400 -1.0 2.0
   45    51    54    55  -0.28950  1.0 3.0
   45    51   -54    53   3.00000 -1.0 2.0
   45    51    58    59   0.00000  1.0 1.0
   45    51    58    63  -0.43950  1.0 1.0
   45    51    58    63  -0.08100 -1.0 2.0
   45    51    58    63   0.03350  1.0 3.0
   45    53   -56    33   0.00000  1.0 1.0
   45    53    56    57   0.00000  1.0 1.0
   45    53    56    60   0.00000  1.0 1.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   46    45    51    58   0.15000  1.0 3.0
   46    45   -53    54   0.00000  1.0 1.0
   46    45    53    56   0.00000  1.0 1.0
   51    45   -53    54   0.00000  1.0 1.0
   51    45    53    56   0.00000  1.0 1.0
   51    54   -53    45   3.00000 -1.0 2.0
   51    54   -53    56   3.00000 -1.0 2.0
   51    58    63    64   3.04450 -1.0 2.0
   51    58    63    65   1.15000  1.0 1.0
   51    58    63    65   3.04450 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    53   0.00000  1.0 1.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    63   0.00000  1.0 1.0
   54    51    58    59   0.00000  1.0 1.0
   54    51    58    63  -0.42300  1.0 1.0
   54    51    58    63  -0.07000 -1.0 2.0
   54    51    58    63   0.04150  1.0 3.0
   54    53    56    33   0.00000  1.0 1.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    60   0.00000  1.0 1.0
   55    54   -53    45   3.00000 -1.0 2.0
   55    54    53    56   3.00000 -1.0 2.0
   53    45   -51    52   0.15000  1.0 3.0
   53    45   -51    54   3.00000 -1.0 2.0
   53    45    51    58   2.20050  1.0 1.0
   53    45    51    58   0.63450 -1.0 2.0
   53    45    51    58  -0.91300  1.0 3.0
   53    56    60    61   0.00000  1.0 1.0
   53    56    60    62   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    42   0.44750  1.0 1.0
   56    33   -37    42  -0.17800 -1.0 2.0
   56    33   -37    42   0.20200  1.0 3.0
   56    33    40    41   0.00000  1.0 1.0
   56    33    40    43   0.09850  1.0 1.0
   56    33    40    43   0.15250 -1.0 2.0
   56    33    40    43  -0.50650  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51   -54    53   0.00000  1.0 1.0
   58    63    65    66   0.00000  1.0 1.0
   58    63    65    67   0.00000  1.0 1.0
   58    63    65    68   0.00000  1.0 1.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    65   2.45000 -1.0 2.0
   63    65    67    71   0.04300 -1.0 2.0
   63    65    67    80   0.04300 -1.0 2.0
   63    65    68    69   0.21900  1.0 1.0
   63    65    68    69  -0.24900 -1.0 2.0
   63    65    68    69   0.15200  1.0 3.0
   63    65    68    70   0.21900  1.0 1.0
   63    65    68    70  -0.24900 -1.0 2.0
   63    65    68    70   0.15200  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.30150 -1.0 2.0
   64    63    65    68   0.30150 -1.0 2.0
   65    67    71    72   3.62500 -1.0 2.0
   65    67    71    73   3.62500 -1.0 2.0
   65    67    80    76   3.62500 -1.0 2.0
   65    67    80    81   3.62500 -1.0 2.0
   66    65    67    71   0.00000  1.0 1.0
   66    65    67    80   0.00000  1.0 1.0
   66    65    68    69   0.20000  1.0 3.0
   66    65    68    70   0.20000  1.0 3.0
   67    65    68    69   0.76500  1.0 1.0
   67    65    68    69   0.05700 -1.0 2.0
   67    65    68    69  -0.90900  1.0 3.0
   67    65    68    70   0.76500  1.0 1.0
   67    65    68    70   0.05700 -1.0 2.0
   67    65    68    70  -0.90900  1.0 3.0
   67    71    73    74   3.62500 -1.0 2.0
   67    71    73    75   3.62500 -1.0 2.0
   71    67    80    76   3.62500 -1.0 2.0
   71    67    80    81   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    78   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    78    79   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76   -80    67   3.62500 -1.0 2.0
   75    76    80    81   3.62500 -1.0 2.0
   76    75    78    79   0.84100 -1.0 2.0
   77    76    80    67   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   80    67    71    72   3.62500 -1.0 2.0
   80    67   -71    73   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    80   3.62500 -1.0 2.0
   68    65    67    71   0.18550 -1.0 2.0
   68    65    67    71   0.14000  1.0 3.0
   68    65    67    80   0.18550 -1.0 2.0
   68    65    67    80   0.14000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    56    53   0.21700  1.0 1.0
   40    33    56    53   0.68550 -1.0 2.0
   40    33    56    53  -0.27950  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    60  -0.98800  1.0 1.0
   40    33    56    60   0.48800 -1.0 2.0
   40    33    56    60   0.76800  1.0 3.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    49   0.00000  1.0 1.0
   40    43    47    50   0.00000  1.0 1.0
   41    40    43    44   7.00000 -1.0 2.0
   41    40    43    47   7.00000 -1.0 2.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    50   0.33100  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
   51    53    54    55  10.50000 -1.0 2.0
   56    54    53    45   1.00000 -1.0 2.0
   61    56    60    62  10.50000 -1.0 2.0
   59    63    58    51   1.00000 -1.0 2.0
   58    65    63    64  10.50000 -1.0 2.0
   71    80    67    65   4.00000 -1.0 2.0
   73    72    71    67   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   80    77    76    75   1.10000 -1.0 2.0
   76    81    80    67   1.10000 -1.0 2.0
   33    41    40    43  15.00000 -1.0 2.0
   47    44    43    40  15.00000 -1.0 2.0
END
