* 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     1.02131    53.97902  -119.10235
    3     1 S   H    _H1_     3     1.02131   106.60910   -17.81376
    4     1 S   H    _H2_     4     1.02058    58.14348    84.25424
    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   _C13    36     1.83729    98.12909   161.76970
   34    33 S   Br   Br3_    37     1.98967   109.09209  -176.55065
   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   _C12    38     1.53704   109.71381   -60.00770
   39    38 S   Br   Br4_    39     1.89235   116.80379   -58.73896
   40    38 S   CM   _C11    40     1.34878   121.16023   121.70962
   41    40 S   CM   _C16    41     1.45387   120.43027    -2.74274
   42    41 S   CM   _C15    42     1.46089   122.45930     7.43875
   43    42 S   Br   Br1_    43     1.88379   118.99248   172.66195
   44    41 S   CM   _C17    46     1.34287   106.46932  -171.52432
   45    33 S   CM   _C14    44     1.54346   109.71632    66.72558
   46    45 S   Br   Br2_    45     1.90691   115.66562    58.64273
   47    44 S   OS   _O33    47     1.39097   115.50477     0.05935
   48    44 S   OH   _O34    79     1.36967   127.19090   178.09433
   49    48 S   HO   _H6_    80     0.96645   110.57958   179.98022
   50    40 S   CT   _C10    48     1.52955   132.70115  -179.24050
   51    50 S   CA   _C9_    49     1.54317   115.28919   -80.59631
   52    50 S   CA   _C18    64     1.54086   112.50476    53.93208
   53    51 S   CA   _C4_    50     1.39468   119.94304  -166.56928
   54    53 S   HA   _H3_    51     1.08709   120.52555    -0.04846
   55    52 S   CA   _C19    65     1.39549   119.97920    75.26200
   56    55 S   HA   _H7_    66     1.08640   120.46287     0.08847
   57    53 S   CA   _C5_    52     1.39523   119.99897  -179.95577
   58    57 S   HA   _H4_    53     1.08610   119.59033   179.97202
   59    55 S   CA   _C20    67     1.39470   120.01720  -179.94405
   60    59 S   HA   _H8_    68     1.08684   119.62095  -179.98022
   61    57 S   CA   _C6_    54     1.39440   119.98825    -0.05234
   62    59 S   CA   _C21    69     1.39500   120.00114     0.00000
   63    61 S   CA   _C7_    55     1.39554   120.00333     0.02798
   64    61 S   OH   _O42    62     1.36208   119.00279   180.00000
   65    64 S   HO   _H11    63     0.96960   110.20565  -179.96044
   66    62 S   CA   _C22    70     1.39518   120.00000     0.06256
   67    62 S   OH   _O38    77     1.36151   118.98873   179.90721
   68    67 S   HO   _H10    78     0.96978   110.27859     0.04846
   69    51 S   CA   _C8_    56     1.39440   120.04412    13.41592
   70    69 S   HA   _H5_    57     1.08745   119.82757    -0.04423
   71    63 S   SY   _S2_    58     1.74939   120.87751   179.94405
   72    71 S   OY   _O41    59     1.46974   103.63883    70.03772
   73    71 S   OY   _O39    60     1.47040   105.71058  -169.99702
   74    71 S   OY   _O40    61     1.47038   103.75557   -50.09968
   75    52 S   CA   _C23    71     1.39524   120.05917  -104.59168
   76    75 S   HA   _H9_    72     1.08744   119.79193    -0.16313
   77    66 S   SY   _S1_    73     1.74926   120.87677   179.92598
   78    77 S   OY   _O37    74     1.46991   103.65955    70.02110
   79    77 S   OY   _O35    75     1.47098   105.70600  -170.06554
   80    77 S   OY   _O36    76     1.46956   103.77019   -50.15682
  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
  10   6   2   1   1  11   4  14  11   7   3   7   1   1   9   2
   1  14  12  11   8   4   8   4   7   3   7   3   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    50  
   38    39    40    42    45    46  
   36    37  
   37  
    0  
   39    40    41    42    45    46    44    47    50    51    52  
   40    41    45    50  
   41    42    43    45    44    47    50    51    53    69    52    55    75    48  
   42    43    45    46    44    47    50    51    52    48    49  
   43    45    46    44    47    50    48  
   45    46    44  
   47    50    51    52    48    49    45  
   46  
    0  
   50    51    53    69    52    55    75    48    49  
   49    50  
    0  
   51    53    54    57    63    69    70    52    55    56    59    66    75    76  
   53    54    57    58    61    63    69    70    71    52    55    75  
   55    56    59    60    62    66    75    76    77    53    69  
   54    57    58    61    63    69    70    64  
   57    58    61    69  
   56    59    60    62    66    75    76    67  
   59    60    62    75  
   58    61    63    69    71    64    65  
   61    63    64  
   60    62    66    75    77    67    68  
   62    66    67  
   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   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   44   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   46   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.352600   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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    45   317.000  1.510
   38    39   165.000  1.979
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    50   317.000  1.510
   41    42   380.000  1.444
   41    44   549.000  1.340
   42    43   165.000  1.979
   42    45   549.000  1.340
   45    46   165.000  1.979
   44    47   440.000  1.360
   44    48   510.000  1.338
   47    50   320.000  1.410
   50    51   317.000  1.510
   50    52   317.000  1.510
   51    53   469.000  1.400
   51    69   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    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
   52    55   469.000  1.400
   52    75   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    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
   48    49   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    45    75.00000  112.20000
   33    38    39    70.00000  111.14000
   33    38    40    70.00000  124.00000
   33    45    42    70.00000  124.00000
   33    45    46    70.00000  111.14000
   38    33    34    70.00000  109.00000
   38    40    41    70.00000  123.01800
   38    40    50    70.00000  124.00000
   40    38    39    65.00000  115.01300
   40    41    42    70.00000  123.01800
   40    41    44    70.00000  123.01800
   40    50    47    85.00000  110.90400
   40    50    51    70.00000  112.99600
   40    50    52    70.00000  112.99600
   41    42    43    65.00000  115.01300
   41    42    45    70.00000  123.01800
   41    44    47    80.00000  120.01400
   41    44    48    80.00000  121.38400
   42    45    46    65.00000  115.01300
   45    33    34    70.00000  109.00000
   45    33    38    70.00000  110.12100
   45    42    43    65.00000  115.01300
   44    41    42    70.00000  123.01800
   44    47    50    90.00000  111.18400
   44    48    49    70.00000  107.45700
   47    50    51    85.00000  111.85700
   47    50    52    85.00000  111.85700
   50    40    41    70.00000  124.00000
   50    51    53    70.00000  120.00000
   50    51    69    70.00000  120.00000
   50    52    55    70.00000  120.00000
   50    52    75    70.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    57    63.00000  120.00000
   51    69    63    63.00000  120.00000
   51    69    70    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    61    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    61    63    63.00000  120.00000
   57    61    64    70.00000  120.00000
   61    57    58    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    51    53    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
   52    50    51    70.00000  112.04700
   52    55    56    35.00000  120.00000
   52    55    59    63.00000  120.00000
   52    75    66    63.00000  120.00000
   52    75    76    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    62    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    62    66    63.00000  120.00000
   59    62    67    70.00000  120.00000
   62    59    60    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    52    55    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
   48    44    47   115.00000  116.36000
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    45  -0.62250  1.0 1.0
   24    29    33    45  -0.38450 -1.0 2.0
   24    29    33    45   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    42   0.42700  1.0 1.0
   29    33    45    42  -0.70350 -1.0 2.0
   29    33    45    42  -0.43150  1.0 3.0
   29    33    45    46   0.09700  1.0 1.0
   29    33    45    46   0.15600 -1.0 2.0
   29    33    45    46  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   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    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    45    42   0.09700  1.0 1.0
   34    33    45    42   0.15600 -1.0 2.0
   34    33    45    42  -0.50800  1.0 3.0
   34    33    45    46   0.09700  1.0 1.0
   34    33    45    46   0.15600 -1.0 2.0
   34    33    45    46  -0.50800  1.0 3.0
   38    33    45    42  -0.28300  1.0 1.0
   38    33    45    42   0.26700 -1.0 2.0
   38    33    45    42  -0.63300  1.0 3.0
   38    33    45    46   0.09700  1.0 1.0
   38    33    45    46   0.15600 -1.0 2.0
   38    33    45    46  -0.50800  1.0 3.0
   38    40   -41    42   0.28850  1.0 1.0
   38    40   -41    42   2.61350 -1.0 2.0
   38    40   -41    42   0.78400  1.0 3.0
   38    40    41    44   0.28850  1.0 1.0
   38    40    41    44   2.61350 -1.0 2.0
   38    40    41    44   0.78400  1.0 3.0
   38    40    50    47   0.39000  1.0 1.0
   38    40    50    47  -0.05800 -1.0 2.0
   38    40    50    47  -0.55150  1.0 3.0
   38    40    50    51   1.44450  1.0 1.0
   38    40    50    51   0.06600 -1.0 2.0
   38    40    50    51   0.29250  1.0 3.0
   38    40    50    52   1.44450  1.0 1.0
   38    40    50    52   0.06600 -1.0 2.0
   38    40    50    52   0.29250  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    50   7.00000 -1.0 2.0
   40    41    42    43  -0.18600  1.0 3.0
   40    41    42    45   0.28850  1.0 1.0
   40    41    42    45   2.61350 -1.0 2.0
   40    41    42    45   0.78400  1.0 3.0
   40    41   -44    47   7.00000 -1.0 2.0
   40    41    44    48   7.00000 -1.0 2.0
   40    50    51    53   0.18050 -1.0 2.0
   40    50    51    69   0.18050 -1.0 2.0
   40    50    52    55   0.18050 -1.0 2.0
   40    50    52    75   0.18050 -1.0 2.0
   41    40   -50    47   0.39000  1.0 1.0
   41    40   -50    47  -0.05800 -1.0 2.0
   41    40   -50    47  -0.55150  1.0 3.0
   41    40    50    51   1.44450  1.0 1.0
   41    40    50    51   0.06600 -1.0 2.0
   41    40    50    51   0.29250  1.0 3.0
   41    40    50    52   1.44450  1.0 1.0
   41    40    50    52   0.06600 -1.0 2.0
   41    40    50    52   0.29250  1.0 3.0
   41    42   -45    33   7.00000 -1.0 2.0
   41    42    45    46   7.00000 -1.0 2.0
   41    44   -47    50  -2.26850  1.0 1.0
   41    44   -47    50   3.39050 -1.0 2.0
   41    44    48    49  -0.66100  1.0 1.0
   41    44    48    49   1.20850 -1.0 2.0
   41    44    48    49  -0.36000  1.0 3.0
   42    41    44    47   7.00000 -1.0 2.0
   42    41    44    48   7.00000 -1.0 2.0
   43    42    45    33   7.00000 -1.0 2.0
   43    42    45    46   7.00000 -1.0 2.0
   45    33    38    39   0.09700  1.0 1.0
   45    33    38    39   0.15600 -1.0 2.0
   45    33    38    39  -0.50800  1.0 3.0
   45    33   -38    40  -0.28300  1.0 1.0
   45    33   -38    40   0.26700 -1.0 2.0
   45    33   -38    40  -0.63300  1.0 3.0
   44    41    42    43  -0.18600  1.0 3.0
   44    41    42    45   0.28850  1.0 1.0
   44    41    42    45   2.61350 -1.0 2.0
   44    41    42    45   0.78400  1.0 3.0
   44    47   -50    40  -0.48150  1.0 1.0
   44    47   -50    40   0.09250 -1.0 2.0
   44    47   -50    40  -0.12850  1.0 3.0
   44    47    50    51  -0.48150  1.0 1.0
   44    47    50    51   0.09250 -1.0 2.0
   44    47    50    51  -0.12850  1.0 3.0
   44    47    50    52  -0.48150  1.0 1.0
   44    47    50    52   0.09250 -1.0 2.0
   44    47    50    52  -0.12850  1.0 3.0
   47    44    48    49   2.00000 -1.0 2.0
   47    50    51    53   0.64500  1.0 1.0
   47    50    51    53   0.14800 -1.0 2.0
   47    50    51    53   0.20650  1.0 3.0
   47    50    51    69   0.64500  1.0 1.0
   47    50    51    69   0.14800 -1.0 2.0
   47    50    51    69   0.20650  1.0 3.0
   47    50    52    55   0.64500  1.0 1.0
   47    50    52    55   0.14800 -1.0 2.0
   47    50    52    55   0.20650  1.0 3.0
   47    50    52    75   0.64500  1.0 1.0
   47    50    52    75   0.14800 -1.0 2.0
   47    50    52    75   0.20650  1.0 3.0
   50    40    41    42  -0.18600  1.0 3.0
   50    40   -41    44  -0.18600  1.0 3.0
   50    51    53    54   3.62500 -1.0 2.0
   50    51    53    57   3.62500 -1.0 2.0
   50    51    69    63   3.62500 -1.0 2.0
   50    51    69    70   3.62500 -1.0 2.0
   50    52    55    56   3.62500 -1.0 2.0
   50    52    55    59   3.62500 -1.0 2.0
   50    52    75    66   3.62500 -1.0 2.0
   50    52    75    76   3.62500 -1.0 2.0
   51    50    52    55   0.04300 -1.0 2.0
   51    50    52    75   0.04300 -1.0 2.0
   51    53    57    58   3.62500 -1.0 2.0
   51    53    57    61   3.62500 -1.0 2.0
   53    51    69    63   3.62500 -1.0 2.0
   53    51    69    70   3.62500 -1.0 2.0
   53    57   -61    63   3.62500 -1.0 2.0
   53    57    61    64   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    61   3.62500 -1.0 2.0
   57    61    63    69   3.62500 -1.0 2.0
   57    61    63    71   3.62500 -1.0 2.0
   57    61    64    65   0.84100 -1.0 2.0
   58    57    61    63   3.62500 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   61    63   -69    51   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    51    53    54   3.62500 -1.0 2.0
   69    51   -53    57   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    51   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
   52    50    51    53   0.04300 -1.0 2.0
   52    50    51    69   0.04300 -1.0 2.0
   52    55    59    60   3.62500 -1.0 2.0
   52    55    59    62   3.62500 -1.0 2.0
   55    52    75    66   3.62500 -1.0 2.0
   55    52    75    76   3.62500 -1.0 2.0
   55    59   -62    66   3.62500 -1.0 2.0
   55    59    62    67   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   59    62    66    75   3.62500 -1.0 2.0
   59    62    66    77   3.62500 -1.0 2.0
   59    62    67    68   0.84100 -1.0 2.0
   60    59    62    66   3.62500 -1.0 2.0
   60    59    62    67   3.62500 -1.0 2.0
   62    66   -75    52   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    52    55    56   3.62500 -1.0 2.0
   75    52   -55    59   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    52   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
   48    44    47    50   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    50    40    38   1.10000 -1.0 2.0
   40    42    41    44   1.10000 -1.0 2.0
   41    43    42    45   1.10000 -1.0 2.0
   33    46    45    42   1.10000 -1.0 2.0
   47    48    44    41   1.10000 -1.0 2.0
   53    69    51    50   4.00000 -1.0 2.0
   57    54    53    51   1.10000 -1.0 2.0
   61    58    57    53   1.10000 -1.0 2.0
   63    64    61    57   4.00000 -1.0 2.0
   69    71    63    61   4.00000 -1.0 2.0
   63    70    69    51   1.10000 -1.0 2.0
   55    75    52    50   4.00000 -1.0 2.0
   59    56    55    52   1.10000 -1.0 2.0
   62    60    59    55   1.10000 -1.0 2.0
   66    67    62    59   4.00000 -1.0 2.0
   75    77    66    62   4.00000 -1.0 2.0
   66    76    75    52   1.10000 -1.0 2.0
END
