* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    141    231     416
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080   105.84060   -26.44286
    3     1 S   H    _H1_     3     1.02063    63.44688    76.88671
    4     1 S   H    _H2_     4     1.02106    48.98120  -127.63539
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CA   _C16    36     1.76488    99.65446   179.97202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C10    37     1.38376   120.40087   -90.01871
   38    37 S   CA   _C13    38     1.38320   123.12133  -179.48795
   39    38 S   CA   _C19    39     1.38925   119.35169    -0.97237
   40    39 S   Br   BR34    40     1.90998   118.66957  -178.20659
   41    38 S   CT   _C23    45     1.50021   110.42568  -179.66662
   42    39 S   CA   _C21    41     1.39793   118.92881     0.99799
   43    42 S   Br   BR36    42     1.92553   119.16319   179.56479
   44    41 S   CA   _C11    46     1.53323   111.43313   118.74957
   45    41 S   CA   _C12    62     1.53373   117.22672  -108.60073
   46    41 S   OS   _O26    78     1.47385   100.02642     2.59676
   47    33 S   CA   _C20    43     1.39400   122.05191    90.21399
   48    47 S   Br   BR35    44     1.92765   119.56620     0.18345
   49    44 S   CA   _C4_    47     1.39581   119.93437   -75.39202
   50    49 S   HA   _H37    48     1.08654   120.48646     0.10279
   51    45 S   CA   _C5_    63     1.39472   119.96663   168.13768
   52    51 S   HA   _H38    64     1.08671   120.48999    -0.06853
   53    37 S   CO4  _C22    79     1.44948   127.54737     2.11063
   54    53 S   O    _O21    80     1.21427   127.06665    -1.75033
   55    49 S   CA   _C6_    49     1.39479   119.98182  -179.96044
   56    55 S   HA   _H39    50     1.08730   119.58324  -179.96044
   57    51 S   CA   _C7_    65     1.39504   119.99593  -179.93147
   58    57 S   HA   _H40    66     1.08672   119.62304   180.00000
   59    55 S   CA   _C14    51     1.39409   120.04371     0.02798
   60    57 S   CA   _C15    67     1.39495   120.00463    -0.06256
   61    59 S   CA   _C17    52     1.39556   119.98918     0.00000
   62    59 S   OH   _O27    60     1.36222   119.01657   179.92338
   63    62 S   HO   _H43    61     0.96952   110.20433    -0.00000
   64    60 S   CA   _C18    68     1.39501   119.96931     0.03956
   65    60 S   OH   _O28    76     1.36229   118.99326   179.96044
   66    65 S   HO   _H44    77     0.97002   110.16684     0.00000
   67    44 S   CA   _C8_    53     1.39428   120.10703   104.72308
   68    67 S   HA   _H41    54     1.08863   119.77884    -0.12667
   69    61 S   SY   _S32    55     1.74944   120.89116   179.91844
   70    69 S   OY   _O22    56     1.45412   107.86480  -175.99454
   71    69 S   OY   _O23    57     1.45353   106.81907   -44.71070
   72    45 S   CA   _C9_    69     1.39495   120.03399   -11.86174
   73    72 S   HA   _H42    70     1.08806   119.79969    -0.07402
   74    64 S   SY   _S33    71     1.74961   120.83681   179.93744
   75    74 S   OY   _O24    72     1.45493   107.87136  -175.98770
   76    74 S   OY   _O25    73     1.45398   106.84039   -44.75451
   77    69 S   OS   _O29    58     1.63391   105.08496    70.02298
   78    77 S   HO   _H45    59     0.98642   115.26804  -173.84063
   79    74 S   OS   _O30    74     1.63448   105.10924    70.06463
   80    79 S   HO   _H46    75     0.98628   115.25332  -173.85056
  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   7   5   4   3
  11   2   1   1  12  15  10   4  18   3   2  14  13   6   2   1
   8   4   8   4   1   1   7   3   7   3   9   9   9   3   1   9
   3   1   5   1   4   3   2   5   1   4   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    48    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    48    41    46    53    54  
   35    36  
   36  
    0  
   38    39    40    42    47    48    41    44    45    46    53    54  
   39    40    42    43    47    41    44    49    67    45    51    72    46    53    54  
   40    42    43    47    48    41    44    45    46    53  
   42    43    47    41  
   44    49    50    55    61    67    68    45    51    52    57    64    72    73    46    53    54    42  
   43    47    48  
   47    48  
   49    50    55    56    59    61    67    68    69    45    51    72    46    53  
   51    52    57    58    60    64    72    73    74    46    53    49    67  
   53    54    49    51    67    72  
   48    53  
    0  
   50    55    56    59    61    67    68    62  
   55    56    59    67  
   52    57    58    60    64    72    73    65  
   57    58    60    72  
   54  
    0  
   56    59    61    67    69    62    63  
   59    61    62  
   58    60    64    72    74    65    66  
   60    64    65  
   61    67    68    69    70    71    77    62    63  
   64    72    73    74    75    76    79    65    66  
   67    68    69    70    71    77    78    62    63  
   63    67    69  
    0  
   72    73    74    75    76    79    80    65    66  
   66    72    74  
    0  
   68    69    70    71    77  
   69  
   70    71    77    78  
   71    77    78  
   77    78  
   73    74    75    76    79  
   74  
   75    76    79    80  
   76    79    80  
   79    80  
   78  
    0  
   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  -0.320000   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   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   41   3.5000   0.0660   0.375400   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   44   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.2500   1.302800   2.0025   1.7750   0.025682759  -1.666211680
   70   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   71   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.2500   1.302800   2.0025   1.7750   0.025682759  -1.666211680
   75   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   76   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   77   2.9000   0.1400  -0.588100   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.431800   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.588100   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.431800   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    47   469.000  1.400
   37    38   469.000  1.400
   37    53   310.000  1.470
   38    39   469.000  1.400
   38    41   317.000  1.510
   39    40   300.000  1.903
   39    42   469.000  1.400
   42    43   300.000  1.903
   42    47   469.000  1.400
   47    48   300.000  1.903
   41    44   317.000  1.510
   41    45   317.000  1.510
   41    46   320.000  1.410
   44    49   469.000  1.400
   44    67   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    61   469.000  1.400
   59    62   450.000  1.364
   61    67   469.000  1.400
   61    69   225.000  1.779
   67    68   367.000  1.080
   69    70   735.000  1.471
   69    71   735.000  1.471
   69    77   335.000  1.682
   77    78   553.000  0.945
   62    63   553.000  0.945
   45    51   469.000  1.400
   45    72   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    64   469.000  1.400
   60    65   450.000  1.364
   64    72   469.000  1.400
   64    74   225.000  1.779
   72    73   367.000  1.080
   74    75   735.000  1.471
   74    76   735.000  1.471
   74    79   335.000  1.682
   79    80   553.000  0.945
   65    66   553.000  0.945
   46    53   214.000  1.327
   53    54   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    47    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    53    60.00000  119.52600
   33    47    42    63.00000  120.00000
   33    47    48    75.00000  120.00000
   37    38    39    63.00000  120.00000
   37    38    41    70.00000  120.00000
   37    53    46    81.00000  111.40000
   37    53    54    75.00000  123.78400
   38    39    40    75.00000  120.00000
   38    39    42    63.00000  120.00000
   38    41    44    70.00000  112.04700
   38    41    45    70.00000  112.04700
   38    41    46    85.00000  111.85700
   39    42    43    75.00000  120.00000
   39    42    47    63.00000  120.00000
   42    39    40    75.00000  120.00000
   42    47    48    75.00000  120.00000
   47    33    37    63.00000  120.00000
   47    42    43    75.00000  120.00000
   41    38    39    70.00000  120.00000
   41    44    49    70.00000  120.00000
   41    44    67    70.00000  120.00000
   41    45    51    70.00000  120.00000
   41    45    72    70.00000  120.00000
   41    46    53    83.00000  116.90000
   44    49    50    35.00000  120.00000
   44    49    55    63.00000  120.00000
   44    67    61    63.00000  120.00000
   44    67    68    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    59    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    59    61    63.00000  120.00000
   55    59    62    70.00000  120.00000
   59    55    56    35.00000  120.00000
   59    61    67    63.00000  120.00000
   59    61    69    65.00000  117.06700
   59    62    63    35.00000  113.00000
   61    67    68    35.00000  120.00000
   61    69    70   100.00000  107.67100
   61    69    71   100.00000  107.67100
   61    69    77   115.00000   98.04500
   67    44    49    63.00000  120.00000
   69    61    67    65.00000  117.06700
   69    77    78    65.00000  110.03400
   71    69    70   115.00000  120.17200
   77    69    70   135.00000  106.70400
   77    69    71   135.00000  106.70400
   62    59    61    70.00000  120.00000
   45    41    44    70.00000  112.04700
   45    51    52    35.00000  120.00000
   45    51    57    63.00000  120.00000
   45    72    64    63.00000  120.00000
   45    72    73    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    60    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    60    64    63.00000  120.00000
   57    60    65    70.00000  120.00000
   60    57    58    35.00000  120.00000
   60    64    72    63.00000  120.00000
   60    64    74    65.00000  117.06700
   60    65    66    35.00000  113.00000
   64    72    73    35.00000  120.00000
   64    74    75   100.00000  107.67100
   64    74    76   100.00000  107.67100
   64    74    79   115.00000   98.04500
   72    45    51    63.00000  120.00000
   74    64    72    65.00000  117.06700
   74    79    80    65.00000  110.03400
   76    74    75   115.00000  120.17200
   79    74    75   135.00000  106.70400
   79    74    76   135.00000  106.70400
   65    60    64    70.00000  120.00000
   46    41    44    85.00000  111.85700
   46    41    45    85.00000  111.85700
   46    53    54    83.00000  123.40000
   53    37    38    60.00000  119.52600
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.63250 -1.0 2.0
   24    29    33    47   0.63250 -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    37    38   3.62500 -1.0 2.0
   29    33    37    53   3.62500 -1.0 2.0
   29    33    47    42   3.62500 -1.0 2.0
   29    33    47    48   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    41   3.62500 -1.0 2.0
   33    37    53    46   0.98750 -1.0 2.0
   33    37    53    54   1.05000 -1.0 2.0
   37    33    47    42   3.62500 -1.0 2.0
   37    33    47    48   3.62500 -1.0 2.0
   37    38    39    40   3.62500 -1.0 2.0
   37    38   -39    42   3.62500 -1.0 2.0
   37    38    41    44   0.04300 -1.0 2.0
   37    38    41    45   0.04300 -1.0 2.0
   37    38   -41    46   0.64500  1.0 1.0
   37    38   -41    46   0.14800 -1.0 2.0
   37    38   -41    46   0.20650  1.0 3.0
   38    37   -53    46   0.98750 -1.0 2.0
   38    37    53    54   1.05000 -1.0 2.0
   38    39    42    43   3.62500 -1.0 2.0
   38    39    42    47   3.62500 -1.0 2.0
   38    41    44    49   0.04300 -1.0 2.0
   38    41    44    67   0.04300 -1.0 2.0
   38    41    45    51   0.04300 -1.0 2.0
   38    41    45    72   0.04300 -1.0 2.0
   38    41   -46    53  -0.43900 -1.0 2.0
   38    41   -46    53   0.14100  1.0 3.0
   39    38    41    44   0.04300 -1.0 2.0
   39    38    41    45   0.04300 -1.0 2.0
   39    38    41    46   0.64500  1.0 1.0
   39    38    41    46   0.14800 -1.0 2.0
   39    38    41    46   0.20650  1.0 3.0
   39    42   -47    33   3.62500 -1.0 2.0
   39    42    47    48   3.62500 -1.0 2.0
   40    39    42    43   3.62500 -1.0 2.0
   40    39    42    47   3.62500 -1.0 2.0
   43    42    47    33   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   47    33   -37    38   3.62500 -1.0 2.0
   47    33    37    53   3.62500 -1.0 2.0
   41    38    39    40   3.62500 -1.0 2.0
   41    38    39    42   3.62500 -1.0 2.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    55   3.62500 -1.0 2.0
   41    44    67    61   3.62500 -1.0 2.0
   41    44    67    68   3.62500 -1.0 2.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    57   3.62500 -1.0 2.0
   41    45    72    64   3.62500 -1.0 2.0
   41    45    72    73   3.62500 -1.0 2.0
   41    46   -53    37   0.59950  1.0 1.0
   41    46   -53    37   3.24850 -1.0 2.0
   41    46    53    54   3.00000 -1.0 2.0
   44    41    45    51   0.04300 -1.0 2.0
   44    41    45    72   0.04300 -1.0 2.0
   44    41    46    53  -0.43900 -1.0 2.0
   44    41    46    53   0.14100  1.0 3.0
   44    49    55    56   3.62500 -1.0 2.0
   44    49    55    59   3.62500 -1.0 2.0
   49    44    67    61   3.62500 -1.0 2.0
   49    44    67    68   3.62500 -1.0 2.0
   49    55   -59    61   3.62500 -1.0 2.0
   49    55    59    62   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    59   3.62500 -1.0 2.0
   55    59    61    67   3.62500 -1.0 2.0
   55    59    61    69   3.62500 -1.0 2.0
   55    59    62    63   0.84100 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   59    61   -67    44   3.62500 -1.0 2.0
   59    61    67    68   3.62500 -1.0 2.0
   59    61    69    70   0.19500  1.0 1.0
   59    61    69    70   0.12000 -1.0 2.0
   59    61    69    71   0.19500  1.0 1.0
   59    61    69    71   0.12000 -1.0 2.0
   59    61    69    77   0.00000  1.0 1.0
   61    59    62    63   0.84100 -1.0 2.0
   61    69    77    78   0.00000  1.0 1.0
   67    44    49    50   3.62500 -1.0 2.0
   67    44   -49    55   3.62500 -1.0 2.0
   67    61    69    70   0.19500  1.0 1.0
   67    61    69    70   0.12000 -1.0 2.0
   67    61    69    71   0.19500  1.0 1.0
   67    61    69    71   0.12000 -1.0 2.0
   67    61    69    77   0.00000  1.0 1.0
   69    61    67    44   3.62500 -1.0 2.0
   69    61    67    68   3.62500 -1.0 2.0
   70    69    77    78   0.67600  1.0 1.0
   70    69    77    78   0.52900 -1.0 2.0
   70    69    77    78   0.12800  1.0 3.0
   71    69    77    78   0.67600  1.0 1.0
   71    69    77    78   0.52900 -1.0 2.0
   71    69    77    78   0.12800  1.0 3.0
   62    59    61    67   3.62500 -1.0 2.0
   62    59    61    69   3.62500 -1.0 2.0
   45    41    44    49   0.04300 -1.0 2.0
   45    41    44    67   0.04300 -1.0 2.0
   45    41    46    53  -0.43900 -1.0 2.0
   45    41    46    53   0.14100  1.0 3.0
   45    51    57    58   3.62500 -1.0 2.0
   45    51    57    60   3.62500 -1.0 2.0
   51    45    72    64   3.62500 -1.0 2.0
   51    45    72    73   3.62500 -1.0 2.0
   51    57   -60    64   3.62500 -1.0 2.0
   51    57    60    65   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    60   3.62500 -1.0 2.0
   57    60    64    72   3.62500 -1.0 2.0
   57    60    64    74   3.62500 -1.0 2.0
   57    60    65    66   0.84100 -1.0 2.0
   58    57    60    64   3.62500 -1.0 2.0
   58    57    60    65   3.62500 -1.0 2.0
   60    64   -72    45   3.62500 -1.0 2.0
   60    64    72    73   3.62500 -1.0 2.0
   60    64    74    75   0.19500  1.0 1.0
   60    64    74    75   0.12000 -1.0 2.0
   60    64    74    76   0.19500  1.0 1.0
   60    64    74    76   0.12000 -1.0 2.0
   60    64    74    79   0.00000  1.0 1.0
   64    60    65    66   0.84100 -1.0 2.0
   64    74    79    80   0.00000  1.0 1.0
   72    45    51    52   3.62500 -1.0 2.0
   72    45   -51    57   3.62500 -1.0 2.0
   72    64    74    75   0.19500  1.0 1.0
   72    64    74    75   0.12000 -1.0 2.0
   72    64    74    76   0.19500  1.0 1.0
   72    64    74    76   0.12000 -1.0 2.0
   72    64    74    79   0.00000  1.0 1.0
   74    64    72    45   3.62500 -1.0 2.0
   74    64    72    73   3.62500 -1.0 2.0
   75    74    79    80   0.67600  1.0 1.0
   75    74    79    80   0.52900 -1.0 2.0
   75    74    79    80   0.12800  1.0 3.0
   76    74    79    80   0.67600  1.0 1.0
   76    74    79    80   0.52900 -1.0 2.0
   76    74    79    80   0.12800  1.0 3.0
   65    60    64    72   3.62500 -1.0 2.0
   65    60    64    74   3.62500 -1.0 2.0
   46    41    44    49   0.64500  1.0 1.0
   46    41    44    49   0.14800 -1.0 2.0
   46    41    44    49   0.20650  1.0 3.0
   46    41    44    67   0.64500  1.0 1.0
   46    41    44    67   0.14800 -1.0 2.0
   46    41    44    67   0.20650  1.0 3.0
   46    41    45    51   0.64500  1.0 1.0
   46    41    45    51   0.14800 -1.0 2.0
   46    41    45    51   0.20650  1.0 3.0
   46    41    45    72   0.64500  1.0 1.0
   46    41    45    72   0.14800 -1.0 2.0
   46    41    45    72   0.20650  1.0 3.0
   53    37    38    39   3.62500 -1.0 2.0
   53    37   -38    41   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    47    33    29   4.00000 -1.0 2.0
   38    53    37    33   4.00000 -1.0 2.0
   39    41    38    37   4.00000 -1.0 2.0
   42    40    39    38   4.00000 -1.0 2.0
   47    43    42    39   4.00000 -1.0 2.0
   42    48    47    33   4.00000 -1.0 2.0
   49    67    44    41   4.00000 -1.0 2.0
   55    50    49    44   1.10000 -1.0 2.0
   59    56    55    49   1.10000 -1.0 2.0
   61    62    59    55   4.00000 -1.0 2.0
   67    69    61    59   4.00000 -1.0 2.0
   61    68    67    44   1.10000 -1.0 2.0
   51    72    45    41   4.00000 -1.0 2.0
   57    52    51    45   1.10000 -1.0 2.0
   60    58    57    51   1.10000 -1.0 2.0
   64    65    60    57   4.00000 -1.0 2.0
   72    74    64    60   4.00000 -1.0 2.0
   64    73    72    45   1.10000 -1.0 2.0
   37    46    53    54  10.50000 -1.0 2.0
END
