* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    155    255     467
    1     0 S   NP   _N1_     1    28.67494    95.18108   -23.13173
    2     1 S   H    _HN1     2     1.02951    80.96751    17.03843
    3     1 S   H    _H1_     3     1.02829    31.01748   164.34027
    4     1 S   H    _H2_     4     1.02782   101.50084   -90.00028
    5     1 S   CT   _CA1     5     1.50108   137.54833   127.47577
    6     5 S   HC   _HA1     6     1.09572   105.21922    78.52475
    7     5 S   CO3  _C1_     7     1.53798   112.42767   -41.74031
    8     7 S   O2Z  _O11     8     1.26371   115.01131   -43.26284
    9     7 S   O2Z  _O12     9     1.26238   114.94475   135.91427
   10     5 S   CT   _CB1    10     1.53087   107.42927  -163.48717
   11    10 S   HC   HB11    11     1.09829   109.40707   -49.88241
   12    10 S   HC   HB12    12     1.09815   110.42637    66.72653
   13    10 S   CT   _CG1    13     1.52984   112.59585  -170.88219
   14    13 S   HC   HG11    14     1.09588   110.57720   -64.43411
   15    13 S   HC   HG12    15     1.09666   109.84998    54.79545
   16    13 S   C    _CD1    16     1.51793   112.28587   175.25080
   17    16 S   O    _OE1    17     1.22723   123.30894     3.99204
   18    16 S   N    _N2_    18     1.38650   111.61957  -176.14105
   19    18 S   H    _HN2    19     1.01584   118.95908     1.87909
   20    18 S   CT1  _CA2    20     1.46178   123.37316   178.37322
   21    20 S   HC   _HA2    21     1.09752   109.38524    -0.61612
   22    20 S   C    _C2_    22     1.53518   108.65391  -116.01398
   23    22 S   O    _O2_    23     1.23051   122.30471  -148.59445
   24    20 S   CT   _CB2    32     1.53523   111.61001   121.30966
   25    24 S   HC   HB21    33     1.09467   109.58937    55.48412
   26    24 S   HC   HB22    34     1.08977   109.49439   173.40763
   27    22 S   N    _N3_    24     1.38331   113.65285    38.92404
   28    27 S   H    _HN3    25     1.01603   119.55611    -3.48515
   29    24 S   S    _SG2    35     1.83290   110.83683   -64.72478
   30    27 S   CT   _CA3    26     1.45283   123.16675   176.98124
   31    30 S   HC   HA31    27     1.09551   107.51837   -64.11108
   32    30 S   HC   HA32    28     1.09557   107.96518    52.31040
   33    29 S   CT   _C8_    36     1.90463   103.79640  -161.63629
   34    30 S   CO3  _C3_    29     1.52945   114.11045   174.29590
   35    34 S   O2Z  _O31    30     1.26371   116.06674    -0.90439
   36    34 S   O2Z  _O32    31     1.26430   114.40946   179.15698
   37    33 S   CO4  _C7_    37     1.54943   106.66325   -37.83904
   38    37 S   O    _O33    38     1.23179   122.98183   107.16903
   39    33 S   CT   _C21    71     1.60376   109.87630    87.41097
   40    37 S   CT   _C6_    39     1.52010   118.04852   -69.07727
   41    40 S   HC   _H8_    40     1.09523   109.38345    71.30124
   42    40 S   HC   _H9_    41     1.09761   108.78066  -174.27570
   43    39 S   CT   _C22    72     1.55414   112.28890  -176.58121
   44    43 S   HC   _H21    73     1.09300   113.48689   -57.19426
   45    43 S   HC   _H22    74     1.09851   110.97049  -176.80028
   46    43 S   HC   _H23    75     1.09514   112.19675    64.01398
   47    40 S   CT   _C5_    42     1.52791   112.30160   -51.88734
   48    47 S   CT   _C10    43     1.54276   109.04949    54.89760
   49    48 S   HC   _H4_    44     1.09873   108.26771    59.76564
   50    47 S   CT   _C4_    76     1.54234   109.15892   -72.13308
   51    50 S   HC   _H5_    77     1.09431   112.01131  -175.79094
   52    50 S   HC   _H6_    78     1.09323   112.98826    61.46094
   53    50 S   HC   _H7_    79     1.09712   110.16611   -58.86631
   54    48 S   CT   _C11    45     1.52911   108.45590   173.54056
   55    54 S   HC   _H10    46     1.09513   111.10078  -175.51328
   56    54 S   HC   _H11    47     1.09549   110.91098    66.35599
   57    33 S   CT   _C9_    54     1.58852   108.47450  -153.13074
   58    57 S   HC   _H3_    55     1.09593   107.62387  -178.80761
   59    54 S   CT   _C12    48     1.51920   110.47139   -56.32423
   60    59 S   HC   _H12    49     1.09684   109.24153   -77.84974
   61    59 S   HC   _H13    50     1.09587   108.74644   164.91053
   62    57 S   CT   _C14    56     1.54416   112.17238   -63.71323
   63    62 S   HC   _H14    57     1.09550   110.26102  -173.05189
   64    62 S   HC   _H15    58     1.09616   110.78345    69.64285
   65    59 S   CO4  _C13    51     1.50659   116.17457    42.53965
   66    65 S   O    _O34    52     1.22848   121.34760   157.98376
   67    62 S   CT   _C15    59     1.52615   112.42524   -54.02403
   68    67 S   HC   _H16    60     1.09638   109.66128   -71.14822
   69    67 S   HC   _H17    61     1.09722   108.49594   173.83004
   70    47 S   OS   _O35    53     1.45220   106.23542   173.63819
   71    67 S   CM   _C16    62     1.50648   112.05997    50.43108
   72    71 S   CM   _C17    63     1.34340   119.62122   125.22479
   73    72 S   HC   _H18    64     1.08485   121.96265     0.88911
   74    72 S   CO4  _C18    65     1.47619   121.72904  -178.68985
   75    74 S   O    _O36    66     1.22594   121.20327   179.21890
   76    74 S   CM   _C19    67     1.47272   117.61648    -1.14825
   77    76 S   HC   _H19    68     1.08369   117.85629  -178.18889
   78    76 S   CM   _C20    69     1.33739   120.59530     1.38112
   79    78 S   HC   _H20    70     1.08757   116.68969  -178.31124
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  25   2   1   1  15   6  20  13   5   4  10   4   3   2  16  19
   9   7   3   2   1  11   6   5  11   4   5   4   3   7   5   4
   2   1   7   3   2   1   7   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    57    58    62    71    78    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    42    47    48    49    54    57    58    62    63    64    67    71    72    76    78    79    39    43    44    45    46  
   35    36  
   36  
    0  
   38    40    41    42    47    48    70    57    58    62    71    78    39    43    50  
   40    41    42    47    57    39  
   43    44    45    46    40    48    57    58    62    67    68    69    71    72    73    74    76    77    78    79  
   41    42    47    48    49    54    65    70    57    50    51    52    53  
   42    47    48    70    50  
   47    48    70    50  
   44    45    46    57    67    71    72    76    78    79  
   45    46    71    78  
   46    71    78  
   71    78  
   48    49    54    55    56    59    65    66    70    57    58    62    50    51    52    53  
   49    54    55    56    59    60    61    65    70    57    58    62    63    64    67    50    51    52    53  
   54    55    56    59    70    57    58    62    50  
   51    52    53    54    57    65    70  
   52    53    70  
   53    70  
   70  
   55    56    59    60    61    65    66    70    57    58    62  
   56    59    60    61    65    57  
   59    60    61    65    57  
   58    62    63    64    67    68    69    71    78    59    70  
   62    63    64    67  
   60    61    65    66    70  
   61    65    66    70  
   65    66    70  
   63    64    67    68    69    71    72  
   64    67    68    69    71  
   67    68    69    71  
   66    70  
   70  
   68    69    71    72    73    74    78  
   69    71    72  
   71    72  
    0  
   72    73    74    75    76    78    79  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   268.000  1.529
   47    48   268.000  1.529
   47    70   320.000  1.410
   47    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   317.000  1.522
   65    66   570.000  1.229
   65    70   214.000  1.327
   57    58   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   317.000  1.510
   71    72   549.000  1.340
   71    39   317.000  1.510
   72    73   340.000  1.080
   72    74   320.000  1.462
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   78    39   317.000  1.510
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    70.00000  116.00000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    62    58.35000  112.70000
   33    39    71    70.00000  112.02700
   33    39    78    70.00000  112.02700
   33    39    43    58.35000  112.70000
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    47    63.00000  111.10000
   40    37    38    80.00000  120.40000
   40    47    48    58.35000  112.70000
   40    47    70    50.00000  109.50000
   40    47    50    58.35000  112.70000
   42    40    41    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    42    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    54    58.35000  112.70000
   47    48    57    58.35000  112.70000
   47    70    65    83.00000  116.90000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    62    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    65    63.00000  111.10000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    80.00000  120.40000
   59    65    70    81.00000  111.40000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   70    47    48    50.00000  109.50000
   70    65    66    83.00000  123.40000
   57    33    37    63.00000  111.10000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    67    58.35000  112.70000
   62    57    58    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    70.00000  112.02700
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    71    72    70.00000  124.00000
   67    71    39    65.00000  117.92700
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    74    65.00000  118.96000
   71    39    78    70.00000  110.12100
   71    39    43    70.00000  112.02700
   72    74    75    80.00000  123.72100
   72    74    76    65.00000  118.65900
   74    72    73    40.00000  117.72500
   74    76    77    40.00000  117.72500
   74    76    78    65.00000  118.96000
   76    74    75    80.00000  123.72100
   76    78    79    35.00000  120.00000
   76    78    39    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    39    43    70.00000  112.02700
   39    33    37    63.00000  111.10000
   39    33    57    58.35000  112.70000
   39    71    72    70.00000  124.00000
   39    78    79    35.00000  117.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   50    47    48    58.35000  112.70000
   50    47    70    50.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    62   0.44750  1.0 1.0
   29    33    57    62  -0.17800 -1.0 2.0
   29    33    57    62   0.20200  1.0 3.0
   29    33    39    71   0.56750  1.0 1.0
   29    33    39    71  -0.07550 -1.0 2.0
   29    33    39    71   0.20000  1.0 3.0
   29    33    39    78   0.56750  1.0 1.0
   29    33    39    78  -0.07550 -1.0 2.0
   29    33    39    78   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    42   0.00000  1.0 1.0
   33    37    40    47   0.60050  1.0 1.0
   33    37    40    47   0.05600 -1.0 2.0
   33    37    40    47   0.26150  1.0 3.0
   33    57    62    63   0.15000  1.0 3.0
   33    57    62    64   0.15000  1.0 3.0
   33    57    62    67   0.56750  1.0 1.0
   33    57    62    67  -0.07550 -1.0 2.0
   33    57    62    67   0.20000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   37    33    57    48  -0.95700  1.0 1.0
   37    33    57    48  -0.18200 -1.0 2.0
   37    33    57    48   0.29450  1.0 3.0
   37    33    57    58  -0.11250  1.0 3.0
   37    33    57    62  -0.95700  1.0 1.0
   37    33    57    62  -0.18200 -1.0 2.0
   37    33    57    62   0.29450  1.0 3.0
   37    33    39    71  -0.98800  1.0 1.0
   37    33    39    71   0.48800 -1.0 2.0
   37    33    39    71   0.76800  1.0 3.0
   37    33    39    78  -0.98800  1.0 1.0
   37    33    39    78   0.48800 -1.0 2.0
   37    33    39    78   0.76800  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    40   -47    48  -0.95700  1.0 1.0
   37    40   -47    48  -0.18200 -1.0 2.0
   37    40   -47    48   0.29450  1.0 3.0
   37    40    47    70  -0.09450  1.0 1.0
   37    40    47    70  -1.12950 -1.0 2.0
   37    40    47    70   0.54000  1.0 3.0
   37    40    47    50  -0.95700  1.0 1.0
   37    40    47    50  -0.18200 -1.0 2.0
   37    40    47    50   0.29450  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    47   0.30150 -1.0 2.0
   40    47    48    49   0.15000  1.0 3.0
   40    47    48    54   0.56750  1.0 1.0
   40    47    48    54  -0.07550 -1.0 2.0
   40    47    48    54   0.20000  1.0 3.0
   40    47    48    57   0.56750  1.0 1.0
   40    47    48    57  -0.07550 -1.0 2.0
   40    47    48    57   0.20000  1.0 3.0
   40    47    70    65  -0.25900  1.0 1.0
   40    47    70    65  -0.47000 -1.0 2.0
   40    47    70    65   0.11750  1.0 3.0
   40    47    50    51   0.15000  1.0 3.0
   40    47    50    52   0.15000  1.0 3.0
   40    47    50    53   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    70   0.23400  1.0 3.0
   41    40    47    50   0.15000  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    70   0.23400  1.0 3.0
   42    40    47    50   0.15000  1.0 3.0
   47    48    54    55   0.15000  1.0 3.0
   47    48    54    56   0.15000  1.0 3.0
   47    48    54    59   0.56750  1.0 1.0
   47    48    54    59  -0.07550 -1.0 2.0
   47    48    54    59   0.20000  1.0 3.0
   47    48   -57    33   0.56750  1.0 1.0
   47    48   -57    33  -0.07550 -1.0 2.0
   47    48   -57    33   0.20000  1.0 3.0
   47    48    57    58   0.15000  1.0 3.0
   47    48    57    62   0.56750  1.0 1.0
   47    48    57    62  -0.07550 -1.0 2.0
   47    48    57    62   0.20000  1.0 3.0
   48    47    70    65  -0.25900  1.0 1.0
   48    47    70    65  -0.47000 -1.0 2.0
   48    47    70    65   0.11750  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   48    54    59    60   0.15000  1.0 3.0
   48    54    59    61   0.15000  1.0 3.0
   48    54   -59    65  -0.95700  1.0 1.0
   48    54   -59    65  -0.18200 -1.0 2.0
   48    54   -59    65   0.29450  1.0 3.0
   48    57    62    63   0.15000  1.0 3.0
   48    57    62    64   0.15000  1.0 3.0
   48    57    62    67   0.56750  1.0 1.0
   48    57    62    67  -0.07550 -1.0 2.0
   48    57    62    67   0.20000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    59   0.15000  1.0 3.0
   49    48    57    33   0.15000  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    62   0.15000  1.0 3.0
   54    48    57    33   0.56750  1.0 1.0
   54    48    57    33  -0.07550 -1.0 2.0
   54    48    57    33   0.20000  1.0 3.0
   54    48    57    58   0.15000  1.0 3.0
   54    48    57    62   0.56750  1.0 1.0
   54    48    57    62  -0.07550 -1.0 2.0
   54    48    57    62   0.20000  1.0 3.0
   54    59    65    66   0.30150 -1.0 2.0
   54    59    65    70   0.36750  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    65  -0.11250  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    65  -0.11250  1.0 3.0
   59    65   -70    47   1.63150  1.0 1.0
   59    65   -70    47   2.92000 -1.0 2.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    70   0.00000  1.0 1.0
   61    59    65    66   0.00000  1.0 1.0
   61    59    65    70   0.00000  1.0 1.0
   66    65    70    47   3.00000 -1.0 2.0
   70    47    48    49   0.23400  1.0 3.0
   70    47   -48    54   0.62750  1.0 1.0
   70    47   -48    54  -0.30950 -1.0 2.0
   70    47   -48    54   0.27300  1.0 3.0
   70    47    48    57   0.62750  1.0 1.0
   70    47    48    57  -0.30950 -1.0 2.0
   70    47    48    57   0.27300  1.0 3.0
   70    47    50    51   0.23400  1.0 3.0
   70    47    50    52   0.23400  1.0 3.0
   70    47    50    53   0.23400  1.0 3.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33   -37    40   0.60050  1.0 1.0
   57    33   -37    40   0.05600 -1.0 2.0
   57    33   -37    40   0.26150  1.0 3.0
   57    33    39    71   0.34400  1.0 1.0
   57    33    39    71   0.09450 -1.0 2.0
   57    33    39    71   0.11100  1.0 3.0
   57    33    39    78   0.34400  1.0 1.0
   57    33    39    78   0.09450 -1.0 2.0
   57    33    39    78   0.11100  1.0 3.0
   57    33    39    43   0.56750  1.0 1.0
   57    33    39    43  -0.07550 -1.0 2.0
   57    33    39    43   0.20000  1.0 3.0
   57    48    54    55   0.15000  1.0 3.0
   57    48    54    56   0.15000  1.0 3.0
   57    48    54    59   0.56750  1.0 1.0
   57    48    54    59  -0.07550 -1.0 2.0
   57    48    54    59   0.20000  1.0 3.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.15000  1.0 3.0
   57    62   -67    71   0.34400  1.0 1.0
   57    62   -67    71   0.09450 -1.0 2.0
   57    62   -67    71   0.11100  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   62    67    71    72   0.09850  1.0 1.0
   62    67    71    72   0.15250 -1.0 2.0
   62    67    71    72  -0.50650  1.0 3.0
   62    67    71    39   0.46850  1.0 1.0
   62    67    71    39   0.08550 -1.0 2.0
   62    67    71    39   0.09800  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    71   0.15000  1.0 3.0
   67    71    72    73   7.00000 -1.0 2.0
   67    71    72    74   7.00000 -1.0 2.0
   67    71   -39    33   0.46850  1.0 1.0
   67    71   -39    33   0.08550 -1.0 2.0
   67    71   -39    33   0.09800  1.0 3.0
   67    71    39    78   0.09700  1.0 1.0
   67    71    39    78   0.15600 -1.0 2.0
   67    71    39    78  -0.50800  1.0 3.0
   67    71    39    43   0.46850  1.0 1.0
   67    71    39    43   0.08550 -1.0 2.0
   67    71    39    43   0.09800  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    39   0.34800  1.0 3.0
   69    67    71    72   0.00000  1.0 1.0
   69    67    71    39   0.34800  1.0 3.0
   71    72    74    75   1.00000 -1.0 2.0
   71    72    74    76  -1.18350  1.0 1.0
   71    72    74    76   1.45950 -1.0 2.0
   71    39    43    44   0.15000  1.0 3.0
   71    39    43    45   0.15000  1.0 3.0
   71    39    43    46   0.15000  1.0 3.0
   72    71    39    33   0.09850  1.0 1.0
   72    71    39    33   0.15250 -1.0 2.0
   72    71    39    33  -0.50650  1.0 3.0
   72    71    39    78  -0.28300  1.0 1.0
   72    71    39    78   0.26700 -1.0 2.0
   72    71    39    78  -0.63300  1.0 3.0
   72    71    39    43   0.09850  1.0 1.0
   72    71    39    43   0.15250 -1.0 2.0
   72    71    39    43  -0.50650  1.0 3.0
   72    74    76    77   0.93700 -1.0 2.0
   72    74   -76    78  -1.18350  1.0 1.0
   72    74   -76    78   1.45950 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.93700 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   74    76    78    39   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   1.00000 -1.0 2.0
   76    78    39    33   0.09850  1.0 1.0
   76    78    39    33   0.15250 -1.0 2.0
   76    78    39    33  -0.50650  1.0 3.0
   76    78   -39    71  -0.28300  1.0 1.0
   76    78   -39    71   0.26700 -1.0 2.0
   76    78   -39    71  -0.63300  1.0 3.0
   76    78    39    43   0.09850  1.0 1.0
   76    78    39    43   0.15250 -1.0 2.0
   76    78    39    43  -0.50650  1.0 3.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    39   7.00000 -1.0 2.0
   78    39    43    44   0.15000  1.0 3.0
   78    39    43    45   0.15000  1.0 3.0
   78    39    43    46   0.15000  1.0 3.0
   79    78    39    33   0.00000  1.0 1.0
   79    78    39    71   0.00000  1.0 1.0
   79    78    39    43   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.60050  1.0 1.0
   39    33    37    40   0.05600 -1.0 2.0
   39    33    37    40   0.26150  1.0 3.0
   39    33    57    48   0.56750  1.0 1.0
   39    33    57    48  -0.07550 -1.0 2.0
   39    33    57    48   0.20000  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33   -57    62   0.56750  1.0 1.0
   39    33   -57    62  -0.07550 -1.0 2.0
   39    33   -57    62   0.20000  1.0 3.0
   39    71    72    73   7.00000 -1.0 2.0
   39    71   -72    74   7.00000 -1.0 2.0
   50    47    48    49   0.15000  1.0 3.0
   50    47    48    54   0.56750  1.0 1.0
   50    47    48    54  -0.07550 -1.0 2.0
   50    47    48    54   0.20000  1.0 3.0
   50    47    48    57   0.56750  1.0 1.0
   50    47    48    57  -0.07550 -1.0 2.0
   50    47    48    57   0.20000  1.0 3.0
   50    47    70    65  -0.25900  1.0 1.0
   50    47    70    65  -0.47000 -1.0 2.0
   50    47    70    65   0.11750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   59    70    65    66  10.50000 -1.0 2.0
   67    39    71    72   1.10000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   74    77    76    78   1.10000 -1.0 2.0
   39    79    78    76   1.10000 -1.0 2.0
END
