* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    228     432
    1     0 S   NP   _N1_     1    28.13559    97.72806   -23.63671
    2     1 S   H    _HN1     2     1.02777   110.90482  -110.85717
    3     1 S   H    _H1_     3     1.02957    70.79795    -7.94117
    4     1 S   H    _H2_     4     1.02836    37.49312   156.71985
    5     1 S   CT   _CA1     5     1.50143   133.41552    92.34190
    6     5 S   HC   _HA1     6     1.09577   105.19414    95.13499
    7     5 S   CO3  _C1_     7     1.53766   112.31380   -25.00814
    8     7 S   O2Z  _O11     8     1.26367   114.99089   -44.65036
    9     7 S   O2Z  _O12     9     1.26231   114.92089   134.31185
   10     5 S   CT   _CB1    10     1.53084   107.40849  -147.00557
   11    10 S   HC   HB11    11     1.09831   109.27470   -50.52954
   12    10 S   HC   HB12    12     1.09814   110.45851    66.00212
   13    10 S   CT   _CG1    13     1.53039   112.70803  -171.58999
   14    13 S   HC   HG11    14     1.09591   110.52565   -65.45406
   15    13 S   HC   HG12    15     1.09660   109.88810    53.76325
   16    13 S   C    _CD1    16     1.51858   112.23326   174.08845
   17    16 S   O    _OE1    17     1.22768   123.25426     2.43928
   18    16 S   N    _N2_    18     1.38573   111.80549  -177.50754
   19    18 S   H    _HN2    19     1.01562   119.09365     3.72200
   20    18 S   CT1  _CA2    20     1.45811   122.76058   177.36686
   21    20 S   HC   _HA2    21     1.09739   108.84551    25.72912
   22    20 S   C    _C2_    22     1.52986   107.09705   -91.19610
   23    22 S   O    _O2_    23     1.22971   123.11651   -25.84368
   24    20 S   CT   _CB2    32     1.53210   112.38530   148.90087
   25    24 S   HC   HB21    33     1.09591   110.30347    54.26079
   26    24 S   HC   HB22    34     1.09438   109.86658   173.21597
   27    22 S   N    _N3_    24     1.38510   112.50546   156.83929
   28    27 S   H    _HN3    25     1.01654   120.31868    -2.26745
   29    24 S   S    _SG2    35     1.82506   111.23064   -66.61555
   30    27 S   CT   _CA3    26     1.45351   122.55340   178.52276
   31    30 S   HC   HA31    27     1.09568   107.89509   -54.06561
   32    30 S   HC   HA32    28     1.09561   107.55041    62.29940
   33    29 S   CT   _C8_    36     1.83978    99.67489   175.33016
   34    33 S   HC   _H3_    37     1.10119   106.49779   -49.47800
   35    30 S   CO3  _C3_    29     1.52903   114.26548  -176.00757
   36    35 S   O2Z  _O31    30     1.26344   116.04208     0.24469
   37    35 S   O2Z  _O32    31     1.26430   114.42195  -179.81025
   38    33 S   CT   _C7_    38     1.53038   111.15752    68.98476
   39    38 S   HC   _H11    39     1.09608   112.28674    46.70159
   40    38 S   HC   _H12    40     1.09460   110.38841   -75.44380
   41    38 S   CM   _C6_    41     1.51162   103.46596   164.83823
   42    41 S   CM   _C5_    42     1.34901   123.57293   156.96289
   43    41 S   CT   _C10    56     1.52976   109.65520   -18.70383
   44    43 S   HC   _H4_    57     1.10206   107.19090   106.74126
   45    42 S   CT   _C14    43     1.50784   123.21848  -168.84883
   46    45 S   HC   _H13    44     1.09941   108.81244    62.68053
   47    45 S   HC   _H14    45     1.09865   108.69490   174.44046
   48    33 S   CT   _C9_    58     1.55754   117.19367  -173.07340
   49    48 S   OM   _O37    59     1.32266   109.59634    77.99980
   50    42 S   CT   _C4_    74     1.50906   122.94021     7.07149
   51    50 S   HC   _H8_    75     1.09575   109.90760   129.53079
   52    50 S   HC   _H9_    76     1.09310   113.51214    10.39249
   53    50 S   HC   _H10    77     1.09485   110.18984  -110.98276
   54    45 S   CT   _C13    46     1.53495   116.88869   -62.31254
   55    54 S   HC   _H7_    47     1.09772   111.36604   -48.47422
   56    48 S   CT   _C20    60     1.54675   113.17967   -43.24073
   57    56 S   HC   _H20    61     1.09720   112.51066    61.47560
   58    56 S   HC   _H21    62     1.09555   111.64439   -59.23304
   59    56 S   HC   _H22    63     1.09628   112.76377  -179.69481
   60    54 S   CT   _C12    48     1.53249   111.51653    75.20944
   61    60 S   HC   _H6_    49     1.10045   108.97625    56.35216
   62    54 S   OS   _O33    67     1.45261   106.17624  -168.03605
   63    60 S   CM   _C17    50     1.49993   118.68790   177.38985
   64    62 S   CO4  _C15    68     1.36363   117.39582    86.81672
   65    64 S   O    _O34    69     1.22305   126.38824    -0.10653
   66    63 S   CO4  _C19    51     1.48128   106.95296   156.14390
   67    66 S   O    _O35    52     1.21697   127.40678   164.60668
   68    63 S   CM   _C18    64     1.33558   132.56724   -21.00801
   69    68 S   HC   _H18    65     1.08240   122.08459    -1.44672
   70    68 S   HC   _H19    66     1.08581   121.37324   178.42778
   71    64 S   CT   _C16    70     1.49831   109.48751   179.96574
   72    71 S   HC   _H15    71     1.09290   109.83834   -60.73682
   73    71 S   HC   _H16    72     1.09378   109.35780  -179.76761
   74    71 S   HC   _H17    73     1.09288   109.82222    61.17677
   75    66 S   OS   _O36    53     1.36304   106.23934   -14.12862
   76    60 S   CT   _C11    54     1.52628   114.67042   -67.62684
   77    76 S   HC   _H5_    55     1.10092   110.40965   -51.52309
  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  10   5   4   3
  15   8   2   1   1  12   5   4  18  15  17   7  14   6   5   9
   5   4   2   1   1  13   6   4   2   1   1  12   7   8   8   5
   4   7   3   4   1   1   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    48    49    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    76    43    44    48    49    56    57    58    59  
   38    39    40    41    43    48    49    56  
   36    37  
   37  
    0  
   39    40    41    42    45    76    43    44    48    49    56    50  
   40    41    42    43    48  
   41    42    43    48  
   42    45    46    47    54    60    75    76    77    43    44    48    49    56    50    51    52    53  
   45    46    47    54    55    60    76    43    44    48    62    50    51    52    53  
   44    48    49    56    57    58    59    50    45    54    60    61    63    66    75    76    77  
   48    49    56    60    75    76    77  
   46    47    54    55    60    61    63    76    62    64    50    51    52    53  
   47    54    55    60    62    50  
   54    55    60    62    50  
   49    56    57    58    59    60    75    76    77  
   56    57    58    59    76  
   51    52    53    54  
   52    53  
   53  
    0  
   55    60    61    63    66    75    76    77    68    62    64    65    71  
   60    61    63    76    62    64  
   57    58    59    76  
   58    59  
   59  
    0  
   61    63    66    67    75    76    77    68    69    70    62    64  
   63    66    75    76    77    68    62  
   64    65    71    72    73    74    63    76  
   66    67    75    76    77    68    69    70  
   65    71    72    73    74  
   71    72    73    74  
   67    75    76    77    68    69    70  
   75    76    68  
   69    70    75    76  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
   76    77  
   77  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   549.000  1.340
   41    43   317.000  1.510
   42    45   317.000  1.510
   42    50   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   320.000  1.410
   60    61   340.000  1.090
   60    63   317.000  1.510
   60    76   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    75   214.000  1.327
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    43   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   48    49   570.000  1.307
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    48    43    58.35000  112.70000
   33    48    49    50.00000  109.50000
   33    48    56    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  124.00000
   38    41    43    65.00000  117.92700
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    42    45    70.00000  124.00000
   41    42    50    70.00000  124.00000
   41    43    76    70.00000  112.02700
   41    43    44    35.00000  109.50000
   41    43    48    70.00000  112.02700
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    54    70.00000  112.02700
   42    50    51    35.00000  109.50000
   42    50    52    35.00000  109.50000
   42    50    53    35.00000  109.50000
   45    54    55    37.50000  110.70000
   45    54    60    58.35000  112.70000
   45    54    62    50.00000  109.50000
   47    45    46    33.00000  107.80000
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    63    70.00000  112.02700
   54    60    76    58.35000  112.70000
   54    62    64    83.00000  116.90000
   60    54    55    37.50000  110.70000
   60    63    66    65.00000  116.34900
   60    63    68    70.00000  124.00000
   60    76    75    50.00000  109.50000
   60    76    77    37.50000  110.70000
   60    76    43    58.35000  112.70000
   63    60    61    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    75    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   66    75    76    83.00000  116.90000
   75    66    67    83.00000  123.40000
   75    76    77    35.00000  109.50000
   75    76    43    50.00000  109.50000
   76    60    61    37.50000  110.70000
   76    60    63    70.00000  112.02700
   76    43    44    37.50000  110.70000
   76    43    48    58.35000  112.70000
   43    41    42    70.00000  124.00000
   43    76    77    37.50000  110.70000
   43    48    49    50.00000  109.50000
   43    48    56    58.35000  112.70000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    59    37.50000  110.70000
   56    48    49    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   62    54    55    35.00000  109.50000
   62    54    60    50.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    71    81.00000  111.40000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   71    64    65    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   50    42    45    65.00000  117.92700
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    56   0.44750  1.0 1.0
   29    33    48    56  -0.17800 -1.0 2.0
   29    33    48    56   0.20200  1.0 3.0
   33    38    41    42   0.09850  1.0 1.0
   33    38    41    42   0.15250 -1.0 2.0
   33    38    41    42  -0.50650  1.0 3.0
   33    38   -41    43   0.46850  1.0 1.0
   33    38   -41    43   0.08550 -1.0 2.0
   33    38   -41    43   0.09800  1.0 3.0
   33    48    56    57   0.15000  1.0 3.0
   33    48    56    58   0.15000  1.0 3.0
   33    48    56    59   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    48    43   0.15000  1.0 3.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    56   0.15000  1.0 3.0
   38    33   -48    43   0.56750  1.0 1.0
   38    33   -48    43  -0.07550 -1.0 2.0
   38    33   -48    43   0.20000  1.0 3.0
   38    33    48    49   0.62750  1.0 1.0
   38    33    48    49  -0.30950 -1.0 2.0
   38    33    48    49   0.27300  1.0 3.0
   38    33    48    56   0.56750  1.0 1.0
   38    33    48    56  -0.07550 -1.0 2.0
   38    33    48    56   0.20000  1.0 3.0
   38    41    42    45   7.00000 -1.0 2.0
   38    41    42    50   7.00000 -1.0 2.0
   38    41    43    76   0.46850  1.0 1.0
   38    41    43    76   0.08550 -1.0 2.0
   38    41    43    76   0.09800  1.0 3.0
   38    41    43    44   0.34800  1.0 3.0
   38    41   -43    48   0.46850  1.0 1.0
   38    41   -43    48   0.08550 -1.0 2.0
   38    41   -43    48   0.09800  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.34800  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.34800  1.0 3.0
   41    42    45    46   0.00000  1.0 1.0
   41    42    45    47   0.00000  1.0 1.0
   41    42    45    54   0.09850  1.0 1.0
   41    42    45    54   0.15250 -1.0 2.0
   41    42    45    54  -0.50650  1.0 3.0
   41    42    50    51   0.00000  1.0 1.0
   41    42    50    52   0.00000  1.0 1.0
   41    42    50    53   0.00000  1.0 1.0
   41    43   -48    33   0.34400  1.0 1.0
   41    43   -48    33   0.09450 -1.0 2.0
   41    43   -48    33   0.11100  1.0 3.0
   41    43    48    49   0.61850  1.0 1.0
   41    43    48    49  -0.22750 -1.0 2.0
   41    43    48    49   0.15300  1.0 3.0
   41    43    48    56   0.34400  1.0 1.0
   41    43    48    56   0.09450 -1.0 2.0
   41    43    48    56   0.11100  1.0 3.0
   42    41    43    76   0.09850  1.0 1.0
   42    41    43    76   0.15250 -1.0 2.0
   42    41    43    76  -0.50650  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    48   0.09850  1.0 1.0
   42    41    43    48   0.15250 -1.0 2.0
   42    41    43    48  -0.50650  1.0 3.0
   42    45    54    55   0.15000  1.0 3.0
   42    45    54    60   0.34400  1.0 1.0
   42    45    54    60   0.09450 -1.0 2.0
   42    45    54    60   0.11100  1.0 3.0
   42    45    54    62   0.61850  1.0 1.0
   42    45    54    62  -0.22750 -1.0 2.0
   42    45    54    62   0.15300  1.0 3.0
   45    42    50    51   0.34800  1.0 3.0
   45    42    50    52   0.34800  1.0 3.0
   45    42    50    53   0.34800  1.0 3.0
   45    54    60    61   0.15000  1.0 3.0
   45    54    60    63   0.34400  1.0 1.0
   45    54    60    63   0.09450 -1.0 2.0
   45    54    60    63   0.11100  1.0 3.0
   45    54    60    76   0.56750  1.0 1.0
   45    54    60    76  -0.07550 -1.0 2.0
   45    54    60    76   0.20000  1.0 3.0
   45    54    62    64  -0.25900  1.0 1.0
   45    54    62    64  -0.47000 -1.0 2.0
   45    54    62    64   0.11750  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    60   0.15000  1.0 3.0
   46    45    54    62   0.23400  1.0 3.0
   47    45    54    55   0.15000  1.0 3.0
   47    45    54    60   0.15000  1.0 3.0
   47    45    54    62   0.23400  1.0 3.0
   54    60    63    66   0.09700  1.0 1.0
   54    60    63    66   0.15600 -1.0 2.0
   54    60    63    66  -0.50800  1.0 3.0
   54    60    63    68   0.09850  1.0 1.0
   54    60    63    68   0.15250 -1.0 2.0
   54    60    63    68  -0.50650  1.0 3.0
   54    60    76    75   0.62750  1.0 1.0
   54    60    76    75  -0.30950 -1.0 2.0
   54    60    76    75   0.27300  1.0 3.0
   54    60    76    77   0.15000  1.0 3.0
   54    60    76    43   0.56750  1.0 1.0
   54    60    76    43  -0.07550 -1.0 2.0
   54    60    76    43   0.20000  1.0 3.0
   54    62    64    65   3.00000 -1.0 2.0
   54    62    64    71   1.63150  1.0 1.0
   54    62    64    71   2.92000 -1.0 2.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    60    76   0.15000  1.0 3.0
   55    54    62    64   0.08050  1.0 3.0
   60    54    62    64  -0.25900  1.0 1.0
   60    54    62    64  -0.47000 -1.0 2.0
   60    54    62    64   0.11750  1.0 3.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63   -66    75  -0.15000  1.0 1.0
   60    63   -66    75   0.89550 -1.0 2.0
   60    63   -66    75  -0.06900  1.0 3.0
   60    63    68    69   7.00000 -1.0 2.0
   60    63    68    70   7.00000 -1.0 2.0
   60    76    43    41   0.34400  1.0 1.0
   60    76    43    41   0.09450 -1.0 2.0
   60    76    43    41   0.11100  1.0 3.0
   60    76    43    44   0.15000  1.0 3.0
   60    76    43    48   0.56750  1.0 1.0
   60    76    43    48  -0.07550 -1.0 2.0
   60    76    43    48   0.20000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    68   0.00000  1.0 1.0
   61    60    76    75   0.23400  1.0 3.0
   61    60    76    77   0.15000  1.0 3.0
   61    60    76    43   0.15000  1.0 3.0
   63    60   -76    75   0.61850  1.0 1.0
   63    60   -76    75  -0.22750 -1.0 2.0
   63    60   -76    75   0.15300  1.0 3.0
   63    60    76    77   0.15000  1.0 3.0
   63    60    76    43   0.34400  1.0 1.0
   63    60    76    43   0.09450 -1.0 2.0
   63    60    76    43   0.11100  1.0 3.0
   63    66   -75    76   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   66    75   -76    60  -0.25900  1.0 1.0
   66    75   -76    60  -0.47000 -1.0 2.0
   66    75   -76    60   0.11750  1.0 3.0
   66    75    76    77   0.08050  1.0 3.0
   66    75    76    43  -0.25900  1.0 1.0
   66    75    76    43  -0.47000 -1.0 2.0
   66    75    76    43   0.11750  1.0 3.0
   67    66    75    76   3.00000 -1.0 2.0
   75    76    43    41   0.61850  1.0 1.0
   75    76    43    41  -0.22750 -1.0 2.0
   75    76    43    41   0.15300  1.0 3.0
   75    76    43    44   0.23400  1.0 3.0
   75    76    43    48   0.62750  1.0 1.0
   75    76    43    48  -0.30950 -1.0 2.0
   75    76    43    48   0.27300  1.0 3.0
   76    60   -63    66   0.09700  1.0 1.0
   76    60   -63    66   0.15600 -1.0 2.0
   76    60   -63    66  -0.50800  1.0 3.0
   76    60    63    68   0.09850  1.0 1.0
   76    60    63    68   0.15250 -1.0 2.0
   76    60    63    68  -0.50650  1.0 3.0
   76    43    48    33   0.56750  1.0 1.0
   76    43    48    33  -0.07550 -1.0 2.0
   76    43    48    33   0.20000  1.0 3.0
   76    43    48    49   0.62750  1.0 1.0
   76    43    48    49  -0.30950 -1.0 2.0
   76    43    48    49   0.27300  1.0 3.0
   76    43    48    56   0.56750  1.0 1.0
   76    43    48    56  -0.07550 -1.0 2.0
   76    43    48    56   0.20000  1.0 3.0
   77    76    43    41   0.15000  1.0 3.0
   77    76    43    44   0.15000  1.0 3.0
   77    76    43    48   0.15000  1.0 3.0
   43    41    42    45   7.00000 -1.0 2.0
   43    41    42    50   7.00000 -1.0 2.0
   43    48    56    57   0.15000  1.0 3.0
   43    48    56    58   0.15000  1.0 3.0
   43    48    56    59   0.15000  1.0 3.0
   44    43    48    33   0.15000  1.0 3.0
   44    43    48    49   0.23400  1.0 3.0
   44    43    48    56   0.15000  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.34400  1.0 1.0
   48    33   -38    41   0.09450 -1.0 2.0
   48    33   -38    41   0.11100  1.0 3.0
   49    48    56    57   0.23400  1.0 3.0
   49    48    56    58   0.23400  1.0 3.0
   49    48    56    59   0.23400  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    75  -0.56150  1.0 1.0
   68    63    66    75   2.19150 -1.0 2.0
   62    54    60    61   0.23400  1.0 3.0
   62    54    60    63   0.61850  1.0 1.0
   62    54    60    63  -0.22750 -1.0 2.0
   62    54    60    63   0.15300  1.0 3.0
   62    54    60    76   0.62750  1.0 1.0
   62    54    60    76  -0.30950 -1.0 2.0
   62    54    60    76   0.27300  1.0 3.0
   62    64    71    72   0.00000  1.0 1.0
   62    64    71    73   0.00000  1.0 1.0
   62    64    71    74   0.00000  1.0 1.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    73   0.00000  1.0 1.0
   65    64    71    74   0.00000  1.0 1.0
   50    42    45    46   0.34800  1.0 3.0
   50    42    45    47   0.34800  1.0 3.0
   50    42    45    54   0.46850  1.0 1.0
   50    42    45    54   0.08550 -1.0 2.0
   50    42    45    54   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42   1.10000 -1.0 2.0
   45    50    42    41   1.10000 -1.0 2.0
   60    66    63    68   1.10000 -1.0 2.0
   63    75    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   62    71    64    65  10.50000 -1.0 2.0
END
