* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    143    231     419
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02017   105.88631    -2.51933
    3     1 S   H    _H1_     3     1.02097    49.14259    98.65145
    4     1 S   H    _H2_     4     1.02079    63.27459  -105.82426
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.83182    98.12637   161.76024
   34    33 S   Br   Br1_    37     1.98143   108.89772  -175.49907
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C16    38     1.50380   108.72315   -60.00221
   39    38 S   CM   _C11    39     1.44676   120.68641   120.11057
   40    39 S   CM   _C12    40     1.35138   122.15591     4.39057
   41    40 S   Br   Br4_    41     1.89032   120.48827  -179.82529
   42    39 S   CT   _C10    46     1.54071   105.35263  -176.68306
   43    40 S   CM   _C13    42     1.48262   120.28986    -1.53187
   44    43 S   Br   Br3_    43     1.89992   118.39880   178.81799
   45    42 S   CA   _C9_    47     1.54383   115.53046   104.36469
   46    42 S   CA   _C18    62     1.54209   111.84024  -120.92068
   47    42 S   OS   _O33    77     1.47056   104.69773    -6.91290
   48    33 S   CM   _C14    44     1.52958   111.20322    65.66851
   49    48 S   Br   Br2_    45     1.90701   115.14742    58.37500
   50    45 S   CA   _C4_    48     1.39439   119.98181    13.11295
   51    50 S   HA   _H3_    49     1.08678   120.53152     0.06853
   52    46 S   CA   _C19    63     1.39461   119.94425    75.19865
   53    52 S   HA   _H7_    64     1.08693   120.52146    -0.00000
   54    38 S   CM   _C17    78     1.33804   131.23049   -60.36590
   55    50 S   CA   _C5_    50     1.39560   120.02585  -179.93147
   56    55 S   HA   _H4_    51     1.08669   119.61973  -180.00000
   57    52 S   CA   _C20    65     1.39528   120.00589   180.00000
   58    57 S   HA   _H8_    66     1.08712   119.61352   179.98022
   59    54 S   OH   _O34    79     1.37182   125.68974     0.54536
   60    59 S   HO   _H6_    80     0.96676   110.42123  -179.93744
   61    55 S   CA   _C6_    52     1.39421   119.94508     0.04423
   62    57 S   CA   _C21    67     1.39468   119.98752    -0.03956
   63    61 S   CA   _C7_    53     1.39506   120.05486    -0.05935
   64    61 S   OH   _O42    60     1.36286   118.96239   179.98022
   65    64 S   HO   _H11    61     0.97034   110.22565   180.00000
   66    62 S   CA   _C22    68     1.39461   120.00658     0.02798
   67    62 S   OH   _O38    75     1.36243   118.97394   179.93147
   68    67 S   HO   _H10    76     0.96990   110.18780  -179.91377
   69    45 S   CA   _C8_    54     1.39468   120.01630  -166.75508
   70    69 S   HA   _H5_    55     1.08775   119.82017    -0.16786
   71    63 S   SY   _S2_    56     1.74870   120.88094   179.96044
   72    71 S   OY   _O41    57     1.47001   103.67487    70.10298
   73    71 S   OY   _O39    58     1.47137   105.70369  -169.97108
   74    71 S   OY   _O40    59     1.47005   103.78658   -50.07887
   75    46 S   CA   _C23    69     1.39468   120.04914  -104.83104
   76    75 S   HA   _H9_    70     1.08742   119.81956     0.02798
   77    66 S   SY   _S1_    71     1.74908   120.87400   179.91153
   78    77 S   OY   _O37    72     1.46994   103.67108    70.03384
   79    77 S   OY   _O35    73     1.47103   105.72832  -169.99258
   80    77 S   OY   _O36    74     1.47006   103.79167   -50.12939
  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   8   5   4   3
  12   6   2   1   1  13  15  10   4  18   3   2  14  13   7   2
   1   8   4   8   4   2   7   3   7   3   1   1   9   9   8   3
   1   8   3   1   5   1   3   2   1   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    48    49    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    49    42    47    54    59  
   38    39    43    48    49    54  
   36    37  
   37  
    0  
   39    40    41    43    48    49    42    45    46    47    54    59    60  
   40    41    43    44    48    42    45    50    69    46    52    75    47    54    59  
   41    43    44    48    49    42    45    46    47    54  
   43    44    48    42  
   45    50    51    55    63    69    70    46    52    53    57    66    75    76    47    54    59    43  
   44    48    49  
   48    49  
   50    51    55    56    61    63    69    70    71    46    52    75    47    54  
   52    53    57    58    62    66    75    76    77    47    54    50    69  
   54    59    60    50    52    69    75  
   49    54  
    0  
   51    55    56    61    63    69    70    64  
   55    56    61    69  
   53    57    58    62    66    75    76    67  
   57    58    62    75  
   59    60  
   56    61    63    69    71    64    65  
   61    63    64  
   58    62    66    75    77    67    68  
   62    66    67  
   60  
    0  
   63    69    70    71    72    73    74    64    65  
   66    75    76    77    78    79    80    67    68  
   69    70    71    72    73    74    64    65  
   65    69    71  
    0  
   75    76    77    78    79    80    67    68  
   68    75    77  
    0  
   70    71    72    73    74  
   71  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80  
   77  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.211400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   42   3.5000   0.0660   0.352600   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   45   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   49   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   72   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   73   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   74   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   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   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   79   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   80   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   245.000  1.990
   33    38   317.000  1.510
   33    48   317.000  1.510
   38    39   380.000  1.444
   38    54   549.000  1.340
   39    40   549.000  1.340
   39    42   317.000  1.510
   40    41   165.000  1.979
   40    43   380.000  1.444
   43    44   165.000  1.979
   43    48   549.000  1.340
   48    49   165.000  1.979
   42    45   317.000  1.510
   42    46   317.000  1.510
   42    47   320.000  1.410
   45    50   469.000  1.400
   45    69   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    63   469.000  1.400
   61    64   450.000  1.364
   63    69   469.000  1.400
   63    71   225.000  1.779
   69    70   367.000  1.080
   71    72   735.000  1.471
   71    73   735.000  1.471
   71    74   735.000  1.471
   64    65   553.000  0.945
   46    52   469.000  1.400
   46    75   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    66   469.000  1.400
   62    67   450.000  1.364
   66    75   469.000  1.400
   66    77   225.000  1.779
   75    76   367.000  1.080
   77    78   735.000  1.471
   77    79   735.000  1.471
   77    80   735.000  1.471
   67    68   553.000  0.945
   47    54   440.000  1.360
   54    59   510.000  1.338
   59    60   553.000  0.945
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    65.00000  111.00000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    54    70.00000  124.00000
   33    48    43    70.00000  124.00000
   33    48    49    70.00000  111.14000
   38    33    34    70.00000  109.00000
   38    39    40    70.00000  123.01800
   38    39    42    70.00000  124.00000
   38    54    47    80.00000  120.01400
   38    54    59    80.00000  121.38400
   39    40    41    65.00000  115.01300
   39    40    43    70.00000  123.01800
   39    42    45    70.00000  112.99600
   39    42    46    70.00000  112.99600
   39    42    47    85.00000  110.90400
   40    43    44    65.00000  115.01300
   40    43    48    70.00000  123.01800
   43    40    41    65.00000  115.01300
   43    48    49    65.00000  115.01300
   48    33    34    70.00000  109.00000
   48    33    38    70.00000  110.12100
   48    43    44    65.00000  115.01300
   42    39    40    70.00000  124.00000
   42    45    50    70.00000  120.00000
   42    45    69    70.00000  120.00000
   42    46    52    70.00000  120.00000
   42    46    75    70.00000  120.00000
   42    47    54    90.00000  111.18400
   45    50    51    35.00000  120.00000
   45    50    55    63.00000  120.00000
   45    69    63    63.00000  120.00000
   45    69    70    35.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    61    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    61    63    63.00000  120.00000
   55    61    64    70.00000  120.00000
   61    55    56    35.00000  120.00000
   61    63    69    63.00000  120.00000
   61    63    71    65.00000  117.06700
   61    64    65    35.00000  113.00000
   63    69    70    35.00000  120.00000
   63    71    72   100.00000  107.67100
   63    71    73   100.00000  107.67100
   63    71    74   100.00000  107.67100
   69    45    50    63.00000  120.00000
   71    63    69    65.00000  117.06700
   73    71    72   115.00000  120.17200
   74    71    72   115.00000  120.17200
   74    71    73   115.00000  120.17200
   64    61    63    70.00000  120.00000
   46    42    45    70.00000  112.04700
   46    52    53    35.00000  120.00000
   46    52    57    63.00000  120.00000
   46    75    66    63.00000  120.00000
   46    75    76    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    62    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    62    66    63.00000  120.00000
   57    62    67    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    66    75    63.00000  120.00000
   62    66    77    65.00000  117.06700
   62    67    68    35.00000  113.00000
   66    75    76    35.00000  120.00000
   66    77    78   100.00000  107.67100
   66    77    79   100.00000  107.67100
   66    77    80   100.00000  107.67100
   75    46    52    63.00000  120.00000
   77    66    75    65.00000  117.06700
   79    77    78   115.00000  120.17200
   80    77    78   115.00000  120.17200
   80    77    79   115.00000  120.17200
   67    62    66    70.00000  120.00000
   47    42    45    85.00000  111.85700
   47    42    46    85.00000  111.85700
   47    54    59   115.00000  116.36000
   54    38    39    70.00000  123.01800
   54    59    60    70.00000  107.45700
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    54   0.42700  1.0 1.0
   29    33    38    54  -0.70350 -1.0 2.0
   29    33    38    54  -0.43150  1.0 3.0
   29    33    48    43   0.42700  1.0 1.0
   29    33    48    43  -0.70350 -1.0 2.0
   29    33    48    43  -0.43150  1.0 3.0
   29    33    48    49   0.09700  1.0 1.0
   29    33    48    49   0.15600 -1.0 2.0
   29    33    48    49  -0.50800  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38    39    42   0.35650  1.0 1.0
   33    38    39    42   0.31450 -1.0 2.0
   33    38    54    47   7.00000 -1.0 2.0
   33    38    54    59   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    54   0.09700  1.0 1.0
   34    33    38    54   0.15600 -1.0 2.0
   34    33    38    54  -0.50800  1.0 3.0
   34    33    48    43   0.09700  1.0 1.0
   34    33    48    43   0.15600 -1.0 2.0
   34    33    48    43  -0.50800  1.0 3.0
   34    33    48    49   0.09700  1.0 1.0
   34    33    48    49   0.15600 -1.0 2.0
   34    33    48    49  -0.50800  1.0 3.0
   38    33    48    43  -0.28300  1.0 1.0
   38    33    48    43   0.26700 -1.0 2.0
   38    33    48    43  -0.63300  1.0 3.0
   38    33    48    49   0.09700  1.0 1.0
   38    33    48    49   0.15600 -1.0 2.0
   38    33    48    49  -0.50800  1.0 3.0
   38    39    40    41   7.00000 -1.0 2.0
   38    39   -40    43   7.00000 -1.0 2.0
   38    39    42    45   1.44450  1.0 1.0
   38    39    42    45   0.06600 -1.0 2.0
   38    39    42    45   0.29250  1.0 3.0
   38    39    42    46   1.44450  1.0 1.0
   38    39    42    46   0.06600 -1.0 2.0
   38    39    42    46   0.29250  1.0 3.0
   38    39   -42    47   0.39000  1.0 1.0
   38    39   -42    47  -0.05800 -1.0 2.0
   38    39   -42    47  -0.55150  1.0 3.0
   38    54    59    60  -0.66100  1.0 1.0
   38    54    59    60   1.20850 -1.0 2.0
   38    54    59    60  -0.36000  1.0 3.0
   39    38   -54    47   7.00000 -1.0 2.0
   39    38    54    59   7.00000 -1.0 2.0
   39    40    43    44  -0.18600  1.0 3.0
   39    40    43    48   0.28850  1.0 1.0
   39    40    43    48   2.61350 -1.0 2.0
   39    40    43    48   0.78400  1.0 3.0
   39    42    45    50   0.18050 -1.0 2.0
   39    42    45    69   0.18050 -1.0 2.0
   39    42    46    52   0.18050 -1.0 2.0
   39    42    46    75   0.18050 -1.0 2.0
   39    42   -47    54  -0.48150  1.0 1.0
   39    42   -47    54   0.09250 -1.0 2.0
   39    42   -47    54  -0.12850  1.0 3.0
   40    39    42    45   1.44450  1.0 1.0
   40    39    42    45   0.06600 -1.0 2.0
   40    39    42    45   0.29250  1.0 3.0
   40    39    42    46   1.44450  1.0 1.0
   40    39    42    46   0.06600 -1.0 2.0
   40    39    42    46   0.29250  1.0 3.0
   40    39    42    47   0.39000  1.0 1.0
   40    39    42    47  -0.05800 -1.0 2.0
   40    39    42    47  -0.55150  1.0 3.0
   40    43   -48    33   7.00000 -1.0 2.0
   40    43    48    49   7.00000 -1.0 2.0
   41    40    43    44   1.08500 -1.0 2.0
   41    40    43    48  -0.18600  1.0 3.0
   44    43    48    33   7.00000 -1.0 2.0
   44    43    48    49   7.00000 -1.0 2.0
   48    33   -38    39  -0.28300  1.0 1.0
   48    33   -38    39   0.26700 -1.0 2.0
   48    33   -38    39  -0.63300  1.0 3.0
   48    33    38    54  -0.28300  1.0 1.0
   48    33    38    54   0.26700 -1.0 2.0
   48    33    38    54  -0.63300  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    43   7.00000 -1.0 2.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    55   3.62500 -1.0 2.0
   42    45    69    63   3.62500 -1.0 2.0
   42    45    69    70   3.62500 -1.0 2.0
   42    46    52    53   3.62500 -1.0 2.0
   42    46    52    57   3.62500 -1.0 2.0
   42    46    75    66   3.62500 -1.0 2.0
   42    46    75    76   3.62500 -1.0 2.0
   42    47   -54    38  -2.26850  1.0 1.0
   42    47   -54    38   3.39050 -1.0 2.0
   42    47    54    59   2.00000 -1.0 2.0
   45    42    46    52   0.04300 -1.0 2.0
   45    42    46    75   0.04300 -1.0 2.0
   45    42    47    54  -0.48150  1.0 1.0
   45    42    47    54   0.09250 -1.0 2.0
   45    42    47    54  -0.12850  1.0 3.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50    55    61   3.62500 -1.0 2.0
   50    45    69    63   3.62500 -1.0 2.0
   50    45    69    70   3.62500 -1.0 2.0
   50    55   -61    63   3.62500 -1.0 2.0
   50    55    61    64   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    61   3.62500 -1.0 2.0
   55    61    63    69   3.62500 -1.0 2.0
   55    61    63    71   3.62500 -1.0 2.0
   55    61    64    65   0.84100 -1.0 2.0
   56    55    61    63   3.62500 -1.0 2.0
   56    55    61    64   3.62500 -1.0 2.0
   61    63   -69    45   3.62500 -1.0 2.0
   61    63    69    70   3.62500 -1.0 2.0
   61    63    71    72   0.19500  1.0 1.0
   61    63    71    72   0.12000 -1.0 2.0
   61    63    71    73   0.19500  1.0 1.0
   61    63    71    73   0.12000 -1.0 2.0
   61    63    71    74   0.19500  1.0 1.0
   61    63    71    74   0.12000 -1.0 2.0
   63    61    64    65   0.84100 -1.0 2.0
   69    45    50    51   3.62500 -1.0 2.0
   69    45   -50    55   3.62500 -1.0 2.0
   69    63    71    72   0.19500  1.0 1.0
   69    63    71    72   0.12000 -1.0 2.0
   69    63    71    73   0.19500  1.0 1.0
   69    63    71    73   0.12000 -1.0 2.0
   69    63    71    74   0.19500  1.0 1.0
   69    63    71    74   0.12000 -1.0 2.0
   71    63    69    45   3.62500 -1.0 2.0
   71    63    69    70   3.62500 -1.0 2.0
   64    61    63    69   3.62500 -1.0 2.0
   64    61    63    71   3.62500 -1.0 2.0
   46    42    45    50   0.04300 -1.0 2.0
   46    42    45    69   0.04300 -1.0 2.0
   46    42    47    54  -0.48150  1.0 1.0
   46    42    47    54   0.09250 -1.0 2.0
   46    42    47    54  -0.12850  1.0 3.0
   46    52    57    58   3.62500 -1.0 2.0
   46    52    57    62   3.62500 -1.0 2.0
   52    46    75    66   3.62500 -1.0 2.0
   52    46    75    76   3.62500 -1.0 2.0
   52    57   -62    66   3.62500 -1.0 2.0
   52    57    62    67   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    62   3.62500 -1.0 2.0
   57    62    66    75   3.62500 -1.0 2.0
   57    62    66    77   3.62500 -1.0 2.0
   57    62    67    68   0.84100 -1.0 2.0
   58    57    62    66   3.62500 -1.0 2.0
   58    57    62    67   3.62500 -1.0 2.0
   62    66   -75    46   3.62500 -1.0 2.0
   62    66    75    76   3.62500 -1.0 2.0
   62    66    77    78   0.19500  1.0 1.0
   62    66    77    78   0.12000 -1.0 2.0
   62    66    77    79   0.19500  1.0 1.0
   62    66    77    79   0.12000 -1.0 2.0
   62    66    77    80   0.19500  1.0 1.0
   62    66    77    80   0.12000 -1.0 2.0
   66    62    67    68   0.84100 -1.0 2.0
   75    46    52    53   3.62500 -1.0 2.0
   75    46   -52    57   3.62500 -1.0 2.0
   75    66    77    78   0.19500  1.0 1.0
   75    66    77    78   0.12000 -1.0 2.0
   75    66    77    79   0.19500  1.0 1.0
   75    66    77    79   0.12000 -1.0 2.0
   75    66    77    80   0.19500  1.0 1.0
   75    66    77    80   0.12000 -1.0 2.0
   77    66    75    46   3.62500 -1.0 2.0
   77    66    75    76   3.62500 -1.0 2.0
   67    62    66    75   3.62500 -1.0 2.0
   67    62    66    77   3.62500 -1.0 2.0
   47    42    45    50   0.64500  1.0 1.0
   47    42    45    50   0.14800 -1.0 2.0
   47    42    45    50   0.20650  1.0 3.0
   47    42    45    69   0.64500  1.0 1.0
   47    42    45    69   0.14800 -1.0 2.0
   47    42    45    69   0.20650  1.0 3.0
   47    42    46    52   0.64500  1.0 1.0
   47    42    46    52   0.14800 -1.0 2.0
   47    42    46    52   0.20650  1.0 3.0
   47    42    46    75   0.64500  1.0 1.0
   47    42    46    75   0.14800 -1.0 2.0
   47    42    46    75   0.20650  1.0 3.0
   47    54    59    60   2.00000 -1.0 2.0
   54    38    39    40   0.28850  1.0 1.0
   54    38    39    40   2.61350 -1.0 2.0
   54    38    39    40   0.78400  1.0 3.0
   54    38   -39    42  -0.18600  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    54   1.10000 -1.0 2.0
   38    42    39    40   1.10000 -1.0 2.0
   43    41    40    39   1.10000 -1.0 2.0
   40    44    43    48   1.10000 -1.0 2.0
   33    49    48    43   1.10000 -1.0 2.0
   50    69    45    42   4.00000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   61    56    55    50   1.10000 -1.0 2.0
   63    64    61    55   4.00000 -1.0 2.0
   69    71    63    61   4.00000 -1.0 2.0
   63    70    69    45   1.10000 -1.0 2.0
   52    75    46    42   4.00000 -1.0 2.0
   57    53    52    46   1.10000 -1.0 2.0
   62    58    57    52   1.10000 -1.0 2.0
   66    67    62    57   4.00000 -1.0 2.0
   75    77    66    62   4.00000 -1.0 2.0
   66    76    75    46   1.10000 -1.0 2.0
   47    59    54    38   1.10000 -1.0 2.0
END
