* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    227     411
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02071    36.12631   133.47295
    3     1 S   H    _H1_     3     1.02182    79.93983   -83.94883
    4     1 S   H    _H2_     4     1.02089    98.74318    23.61912
    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   CM   _C23    36     1.73304    99.25261   161.76762
   34    33 S   Cl   Cl1_    37     1.73203   117.23285    58.11871
   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   _C22    38     1.34384   121.25916  -120.00689
   39    38 S   HC   _H19    39     1.08996   118.32846   179.91153
   40    38 S   C3T  _C6_    40     1.47665   127.66232     0.04846
   41    40 S   HC   _H3_    41     1.08556   113.18573   -59.99061
   42    40 S   C3T  _C7_    42     1.50098   118.61960    83.45995
   43    42 S   HC   _H4_    43     1.08597   117.58314  -142.60052
   44    40 S   C3T  _C5_    44     1.50088   120.48053   153.63236
   45    42 S   CO4  _C8_    53     1.47395   118.70621     0.10468
   46    45 S   O    _O33    54     1.22344   124.06610     5.82729
   47    44 S   CT   _C4_    45     1.49102   117.28123     1.85583
   48    47 S   HC   _H5_    46     1.10167   111.57277  -179.96574
   49    47 S   HC   _H6_    47     1.10106   111.58911    60.04922
   50    47 S   HC   _H7_    48     1.10181   111.59854   -60.02163
   51    44 S   CT   _C24    49     1.49193   119.73432   146.15721
   52    51 S   HC   _H20    50     1.10128   111.54709  -179.98022
   53    51 S   HC   _H21    51     1.10081   111.53655    59.99912
   54    51 S   HC   _H22    52     1.10192   111.49821   -60.02083
   55    45 S   OS   _O34    55     1.36273   109.52169  -174.13933
   56    55 S   CT   _C9_    56     1.43177   115.45745   179.95154
   57    56 S   HC   _H8_    57     1.09527   108.99272    58.73918
   58    56 S   HC   _H9_    58     1.09516   109.10442   -58.87689
   59    56 S   CA   _C10    59     1.50017   109.07097   180.00000
   60    59 S   CA   _C11    60     1.39526   120.00181  -120.11745
   61    60 S   HA   _H10    61     1.08636   120.51557     0.07402
   62    60 S   CA   _C12    62     1.39429   120.00608   179.97202
   63    62 S   HA   _H11    63     1.08635   119.99847   180.00000
   64    62 S   CA   _C13    64     1.39524   120.01521     0.00000
   65    64 S   HA   _H12    65     1.08595   119.65756   180.00000
   66    64 S   CA   _C14    66     1.39493   119.96741     0.03956
   67    59 S   CA   _C15    67     1.39524   120.01946    59.85720
   68    67 S   HA   _H13    68     1.08797   120.13756     0.03426
   69    66 S   OS   _O35    69     1.36140   119.97187   179.93147
   70    69 S   CA   _C16    70     1.38462   117.69421  -135.02654
   71    70 S   CA   _C17    71     1.39477   120.02720    45.01612
   72    71 S   HA   _H14    72     1.08629   120.35628    -0.00000
   73    71 S   CA   _C18    73     1.39413   119.99222   179.93744
   74    73 S   HA   _H15    74     1.08671   120.01363  -179.97202
   75    73 S   CA   _C19    75     1.39561   120.01757    -0.02798
   76    75 S   HA   _H16    76     1.08668   119.99404  -180.00000
   77    75 S   CA   _C20    77     1.39477   119.99024     0.02798
   78    77 S   HA   _H17    78     1.08577   119.95419  -179.97202
   79    70 S   CA   _C21    79     1.39498   119.95568  -135.09035
   80    79 S   HA   _H18    80     1.08638   120.32890     0.04846
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   7   3   2   1   1   9   4  15   6  14   6  11   8   2   7   3
   2   1   3   2   1   1   6   9   4   3   9   8   4   6   3   6
   3   6   3   1   7   9   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    51    45  
   40    41    42    44  
   41    42    43    44    47    48    49    50    51    52    53    54    45    46    55  
   42    43    44    47    51    45  
   43    44    47    48    49    50    51    52    53    54    45    46    55    56  
   44    47    51    45    46    55  
   47    48    49    50    51    52    53    54    45    46    55  
   46    55    56    57    58    59    47    51  
   55    56  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    67  
   57    58    59    60    61    62    66    67    68  
   58    59    60    67  
   59    60    67  
   60    61    62    63    64    66    67    68    69  
   61    62    63    64    65    66    67    68  
   62    63    64    67  
   63    64    65    66    67    69  
   64    65    66  
   65    66    67    68    69    70  
   66    67    69  
   67    68    69    70    71    79  
   68    69    70  
   69  
   70    71    72    73    77    79    80  
   71    72    73    74    75    77    78    79    80  
   72    73    74    75    76    77    79    80  
   73    74    75    79  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   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   3.5500   0.0760   0.127500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    34   300.000  1.725
   33    38   549.000  1.340
   38    39   340.000  1.080
   38    40   305.000  1.480
   40    41   340.000  1.088
   40    42   260.000  1.509
   40    44   260.000  1.509
   42    43   340.000  1.088
   42    44   260.000  1.509
   42    45   290.000  1.496
   44    47   275.000  1.510
   44    51   275.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   570.000  1.229
   45    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   317.000  1.510
   59    60   469.000  1.400
   59    67   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    69   450.000  1.364
   67    68   367.000  1.080
   69    70   450.000  1.364
   70    71   469.000  1.400
   70    79   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   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    75.00000  112.00000
   29    33    38    65.00000  122.11800
   33    38    39    35.00000  120.00000
   33    38    40    55.00000  125.06700
   38    33    34    75.00000  121.50000
   38    40    41    40.00000  112.45000
   38    40    42    60.00000  120.58800
   38    40    44    60.00000  120.58800
   40    38    39    40.00000  117.24000
   40    42    43    37.50000  117.20000
   40    42    44    10.00000   60.00500
   40    42    45    65.00000  117.18000
   40    44    42    10.00000   60.00500
   40    44    47    60.00000  120.94000
   40    44    51    60.00000  120.94000
   42    40    41    37.50000  117.20000
   42    44    47    60.00000  120.94000
   42    44    51    60.00000  120.94000
   42    45    46    75.00000  121.36600
   42    45    55    81.00000  111.40000
   44    40    41    37.50000  117.20000
   44    40    42    10.00000   60.00500
   44    42    43    37.50000  117.20000
   44    47    48    45.00000  109.38400
   44    47    49    45.00000  109.38400
   44    47    50    45.00000  109.38400
   44    51    52    45.00000  109.38400
   44    51    53    45.00000  109.38400
   44    51    54    45.00000  109.38400
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    44    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    42    43    40.00000  116.18000
   45    42    44    65.00000  117.18000
   45    55    56    83.00000  116.90000
   55    45    46    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   55    56    59    85.00000  111.85700
   56    59    60    70.00000  120.00000
   56    59    67    70.00000  120.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    35.00000  120.00000
   59    60    62    63.00000  120.00000
   59    67    66    63.00000  120.00000
   59    67    68    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    69    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    69    70    85.00000  114.70000
   67    59    60    63.00000  120.00000
   69    66    67    70.00000  120.00000
   69    70    71    70.00000  120.00000
   69    70    79    70.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    79    77    63.00000  120.00000
   70    79    80    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    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    70    71    63.00000  120.00000
   79    77    78    35.00000  120.00000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42   0.09850  1.0 1.0
   33    38    40    42   0.15250 -1.0 2.0
   33    38    40    42  -0.50650  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40   -42    44   0.34400  1.0 1.0
   38    40   -42    44   0.09450 -1.0 2.0
   38    40   -42    44   0.11100  1.0 3.0
   38    40    42    45  -0.98800  1.0 1.0
   38    40    42    45   0.48800 -1.0 2.0
   38    40    42    45   0.76800  1.0 3.0
   38    40   -44    42   0.34400  1.0 1.0
   38    40   -44    42   0.09450 -1.0 2.0
   38    40   -44    42   0.11100  1.0 3.0
   38    40    44    47   0.34400  1.0 1.0
   38    40    44    47   0.09450 -1.0 2.0
   38    40    44    47   0.11100  1.0 3.0
   38    40    44    51   0.34400  1.0 1.0
   38    40    44    51   0.09450 -1.0 2.0
   38    40    44    51   0.11100  1.0 3.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   40    42   -44    47   0.07850  1.0 1.0
   40    42   -44    47  -0.03950 -1.0 2.0
   40    42   -44    47   0.67350  1.0 3.0
   40    42   -44    51   0.07850  1.0 1.0
   40    42   -44    51  -0.03950 -1.0 2.0
   40    42   -44    51   0.67350  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    55   0.36750  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44    47    50   0.15000  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    54   0.15000  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40   -42    44   0.15000  1.0 3.0
   41    40    42    45   0.15000  1.0 3.0
   41    40   -44    42   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   42    40   -44    47   0.07850  1.0 1.0
   42    40   -44    47  -0.03950 -1.0 2.0
   42    40   -44    47   0.67350  1.0 3.0
   42    40   -44    51   0.07850  1.0 1.0
   42    40   -44    51  -0.03950 -1.0 2.0
   42    40   -44    51   0.67350  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.15000  1.0 3.0
   42    44    51    52   0.15000  1.0 3.0
   42    44    51    53   0.15000  1.0 3.0
   42    44    51    54   0.15000  1.0 3.0
   42    45    55    56   1.63150  1.0 1.0
   42    45    55    56   2.92000 -1.0 2.0
   43    42   -44    40   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42    45    46   0.50000  1.0 3.0
   43    42    45    55   0.00000  1.0 1.0
   44    40   -42    43   0.15000  1.0 3.0
   44    40   -42    45  -0.95700  1.0 1.0
   44    40   -42    45  -0.18200 -1.0 2.0
   44    40   -42    45   0.29450  1.0 3.0
   44    42    45    46   0.30150 -1.0 2.0
   44    42    45    55   0.36750  1.0 3.0
   47    44    51    52   0.15000  1.0 3.0
   47    44    51    53   0.15000  1.0 3.0
   47    44    51    54   0.15000  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    50   0.15000  1.0 3.0
   45    42   -44    40  -0.95700  1.0 1.0
   45    42   -44    40  -0.18200 -1.0 2.0
   45    42   -44    40   0.29450  1.0 3.0
   45    42    44    47  -0.95700  1.0 1.0
   45    42    44    47  -0.18200 -1.0 2.0
   45    42    44    47   0.29450  1.0 3.0
   45    42    44    51  -0.95700  1.0 1.0
   45    42    44    51  -0.18200 -1.0 2.0
   45    42    44    51   0.29450  1.0 3.0
   45    55    56    57   0.08050  1.0 3.0
   45    55    56    58   0.08050  1.0 3.0
   45    55    56    59  -0.43900 -1.0 2.0
   45    55    56    59   0.14100  1.0 3.0
   46    45    55    56   3.00000 -1.0 2.0
   55    56    59    60   0.64500  1.0 1.0
   55    56    59    60   0.14800 -1.0 2.0
   55    56    59    60   0.20650  1.0 3.0
   55    56    59    67   0.64500  1.0 1.0
   55    56    59    67   0.14800 -1.0 2.0
   55    56    59    67   0.20650  1.0 3.0
   56    59    60    61   3.62500 -1.0 2.0
   56    59    60    62   3.62500 -1.0 2.0
   56    59    67    66   3.62500 -1.0 2.0
   56    59    67    68   3.62500 -1.0 2.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    67   0.00000  1.0 1.0
   58    56    59    60   0.00000  1.0 1.0
   58    56    59    67   0.00000  1.0 1.0
   59    60    62    63   3.62500 -1.0 2.0
   59    60    62    64   3.62500 -1.0 2.0
   60    59    67    66   3.62500 -1.0 2.0
   60    59    67    68   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62   -64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    69   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66   -67    59   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    69    70   0.47150 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    69   3.62500 -1.0 2.0
   66    69    70    71   0.47150 -1.0 2.0
   66    69    70    79   0.47150 -1.0 2.0
   67    59    60    61   3.62500 -1.0 2.0
   67    59   -60    62   3.62500 -1.0 2.0
   67    66    69    70   0.47150 -1.0 2.0
   69    66    67    59   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    70    71    72   3.62500 -1.0 2.0
   69    70    71    73   3.62500 -1.0 2.0
   69    70    79    77   3.62500 -1.0 2.0
   69    70    79    80   3.62500 -1.0 2.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    79    77   3.62500 -1.0 2.0
   71    70    79    80   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   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    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    70   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    70   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    70    71    72   3.62500 -1.0 2.0
   79    70   -71    73   3.62500 -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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   60    67    59    56   4.00000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    69    66    64   4.00000 -1.0 2.0
   66    68    67    59   1.10000 -1.0 2.0
   71    79    70    69   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    70   1.10000 -1.0 2.0
END
