* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.70377    95.18296   -20.24909
    2     1 S   H    _HN1     2     1.02774    86.94516   -72.10284
    3     1 S   H    _H1_     3     1.02964    88.94407    36.32514
    4     1 S   H    _H2_     4     1.02834    34.41483   159.35182
    5     1 S   CT   _CA1     5     1.50140   145.14324   161.92742
    6     5 S   HC   _HA1     6     1.09583   105.18312    57.51136
    7     5 S   CO3  _C1_     7     1.53715   112.38688   -62.49907
    8     7 S   O2Z  _O11     8     1.26335   114.96768   -43.36244
    9     7 S   O2Z  _O12     9     1.26256   114.87014   135.66150
   10     5 S   CT   _CB1    10     1.53082   107.39039   175.24276
   11    10 S   HC   HB11    11     1.09818   109.04662   -51.99921
   12    10 S   HC   HB12    12     1.09819   110.50431    64.44890
   13    10 S   CT   _CG1    13     1.53018   112.80676  -173.24605
   14    13 S   HC   HG11    14     1.09575   110.29424   -66.92049
   15    13 S   HC   HG12    15     1.09654   110.07133    52.25529
   16    13 S   C    _CD1    16     1.51863   112.34374   172.30201
   17    16 S   O    _OE1    17     1.22728   123.23774    -5.75210
   18    16 S   N    _N2_    18     1.38635   111.71424   175.03493
   19    18 S   H    _HN2    19     1.01587   118.97538    -0.04846
   20    18 S   CT1  _CA2    20     1.46280   123.38105   179.03775
   21    20 S   HC   _HA2    21     1.09742   109.33000   -13.93567
   22    20 S   C    _C2_    22     1.53431   108.13586  -129.44618
   23    22 S   O    _O2_    23     1.23009   122.27927  -145.08862
   24    20 S   CT   _CB2    32     1.53426   111.63991   108.31908
   25    24 S   HC   HB21    33     1.09580   109.70308    53.88351
   26    24 S   HC   HB22    34     1.09445   110.41575   172.86639
   27    22 S   N    _N3_    24     1.38519   113.32096    42.24204
   28    27 S   H    _HN3    25     1.01527   118.92938    -0.54032
   29    24 S   S    _SG2    35     1.82657   111.64446   -67.23661
   30    27 S   CT   _CA3    26     1.45451   123.42469   174.89992
   31    30 S   HC   HA31    27     1.09524   109.20072    25.10724
   32    30 S   HC   HA32    28     1.09493   107.13364   142.13673
   33    29 S   CT   _C22    36     1.85353    99.65179   165.77712
   34    33 S   HC   _H3_    37     1.09634   108.23793   -37.38447
   35    30 S   CO3  _C3_    29     1.52939   113.13085   -98.32085
   36    35 S   O2Z  _O31    30     1.26401   115.42428   -43.31096
   37    35 S   O2Z  _O32    31     1.26356   114.95957   137.58721
   38    33 S   CA   _C19    38     1.53343   109.58768  -153.61272
   39    38 S   CA   _C20    39     1.44246   120.30049    71.18930
   40    38 S   CA   _C18    65     1.41625   119.97823  -108.10897
   41    39 S   CA   _C21    40     1.41608   124.81194     2.92235
   42    41 S   HA   _H16    41     1.08855   119.53012     1.09682
   43    40 S   CT   _C25    66     1.51627   122.47622    -6.69293
   44    43 S   HC   _H6_    67     1.09793   106.32522   -97.86138
   45    41 S   CA   _C12    42     1.40853   123.46065  -179.08507
   46    43 S   CT   _C24    68     1.53118   114.21569    22.01569
   47    46 S   HC   _H5_    69     1.09710   108.08434  -166.85155
   48    43 S   OH   _O33    76     1.42890   110.94069   146.35146
   49    48 S   HO   _H17    77     0.97197   107.70131  -173.82718
   50    45 S   CA   _C11    43     1.39799   119.61634   179.66080
   51    50 S   HA   _H12    44     1.08833   120.73166    -0.10835
   52    45 S   CA   _C13    57     1.40998   120.48127    -0.29871
   53    33 S   CT   _C23    70     1.54430   110.27774    79.47980
   54    53 S   HC   _H4_    71     1.09597   110.55377   -40.71439
   55    46 S   OH   _O34    74     1.42557   109.93401    77.41341
   56    55 S   HO   _H18    75     0.97230   107.86510  -176.76384
   57    50 S   CA   _C10    45     1.39051   120.95085  -179.79158
   58    57 S   HA   _H11    46     1.08843   118.51482   179.50742
   59    52 S   CA   _C14    58     1.41459   116.17191    -0.53192
   60    59 S   HA   _H13    59     1.08878   119.40346  -179.42939
   61    53 S   OH   _O35    72     1.43251   109.34577  -156.95467
   62    61 S   HO   _H19    73     0.97273   107.74438    62.02867
   63    57 S   CA   _C8_    47     1.39601   120.78089     0.20367
   64    39 S   CA   _C15    60     1.40995   119.23750  -177.37729
   65    63 S   CA   _C9_    48     1.40524   119.45997   179.47773
   66    65 S   HA   _H10    49     1.08853   120.46696    -0.22555
   67    64 S   CA   _C16    61     1.39708   119.82100    -1.35031
   68    67 S   HA   _H14    62     1.08842   120.69974  -179.35502
   69    65 S   CA   _C4_    50     1.39132   121.00802   179.98022
   70    69 S   HA   _H7_    51     1.08575   120.16235   179.91153
   71    67 S   CA   _C17    63     1.39029   120.93911    -0.41590
   72    71 S   HA   _H15    64     1.08790   118.39321  -177.90202
   73    69 S   CA   _C5_    52     1.38625   119.54489     0.00000
   74    73 S   HA   _H8_    53     1.08621   120.09803   179.94065
   75    73 S   CA   _C6_    54     1.39784   119.98255     0.08393
   76    75 S   HA   _H9_    55     1.08668   116.70879   179.80021
   77    63 S   CA   _C7_    56     1.41865   119.85671    -0.37220
  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   9   5   4   3
  15   7   2   1   1  17  14  14  10   4  13   7  11  10   6   4
   1   8   4  11   5   3   2   1   7   3   8   3   1   1   8   5
   7   4   3   2   6   3   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    53    54    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    64    71    40    43    46    47    53    54    61    62    55  
   38    39    40    46    53    54    61  
   36    37  
   37  
    0  
   39    41    42    45    59    64    67    71    72    40    43    44    46    53    54    61    48  
   41    42    45    50    52    59    60    64    67    68    71    40    43    53  
   43    44    46    47    53    55    48    49    41    64    67    68    71    72  
   42    45    50    51    57    77    52    59    64    67  
   45    50    52    64  
   44    46    47    53    54    61    55    56    48    49    67    71    72  
   46    47    53    55    48    49    71  
   50    51    57    58    63    75    77    52    59    60    64  
   47    53    54    61    62    55    56    48    49    71  
   53    54    61    55    56    48  
   49    53    55    71  
    0  
   51    57    58    63    65    77    52    59  
   57    58    63    52  
   59    60    64    67    57    63    65    73    75    76    77  
   54    61    62    55    56  
   61    62    55  
   56    61  
    0  
   58    63    65    66    69    75    77  
   63    65    77  
   60    64    67    68    71    63    75    77  
   64    67    77  
   62  
    0  
   65    66    69    70    73    75    76    77  
   67    68    71    72    77  
   66    69    70    73    74    75    77  
   69    70    73    77  
   68    71    72  
   71    72  
   70    73    74    75    76    77  
   73    74    75  
   72  
    0  
   74    75    76    77  
   75    76    77  
   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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   33    53   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   469.000  1.400
   39    64   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   469.000  1.400
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    65   469.000  1.400
   63    77   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    52   469.000  1.400
   52    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    67   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    40   469.000  1.400
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    55   320.000  1.410
   53    54   340.000  1.090
   53    61   320.000  1.410
   61    62   553.000  0.945
   55    56   553.000  0.945
   48    49   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    53    46    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    61    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    41    63.00000  120.00000
   38    39    64    63.00000  120.00000
   38    40    71    63.00000  120.00000
   38    40    43    70.00000  120.00000
   39    41    42    35.00000  120.00000
   39    41    45    63.00000  120.00000
   39    64    59    63.00000  120.00000
   39    64    67    63.00000  120.00000
   41    45    50    63.00000  120.00000
   41    45    52    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    57    63.00000  120.00000
   45    52    77    63.00000  120.00000
   45    52    59    63.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    63    63.00000  120.00000
   57    50    51    35.00000  120.00000
   57    63    65    63.00000  120.00000
   57    63    77    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    52    63.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    73    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    52    63.00000  120.00000
   77    63    65    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    52    59    63.00000  120.00000
   52    45    50    63.00000  120.00000
   52    59    60    35.00000  120.00000
   52    59    64    63.00000  120.00000
   59    64    67    63.00000  120.00000
   64    39    41    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    40    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    40    43    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    71    72    35.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    90.00000  112.51600
   43    46    47    37.50000  110.70000
   43    46    53    58.35000  112.70000
   43    46    55    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    61    50.00000  109.50000
   46    55    56    55.00000  108.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.17500
   53    46    47    37.50000  110.70000
   53    61    62    55.00000  108.50000
   61    53    54    35.00000  109.50000
   55    46    47    35.00000  109.50000
   55    46    53    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    53    46   0.44750  1.0 1.0
   29    33    53    46  -0.17800 -1.0 2.0
   29    33    53    46   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    61   0.56750  1.0 1.0
   29    33    53    61  -0.07550 -1.0 2.0
   29    33    53    61   0.20000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    64   3.62500 -1.0 2.0
   33    38    40    71   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   33    53    61    62  -0.11600  1.0 1.0
   33    53    61    62  -0.09450 -1.0 2.0
   33    53    61    62   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    53    46   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    61   0.23400  1.0 3.0
   38    33    53    46  -0.03700  1.0 1.0
   38    33    53    46   0.37200 -1.0 2.0
   38    33    53    46  -0.47300  1.0 3.0
   38    33    53    54   0.43200  1.0 3.0
   38    33    53    61   1.13150  1.0 1.0
   38    33    53    61  -1.01400 -1.0 2.0
   38    39    41    42   3.62500 -1.0 2.0
   38    39    41    45   3.62500 -1.0 2.0
   38    39    64    59   3.62500 -1.0 2.0
   38    39    64    67   3.62500 -1.0 2.0
   38    40    43    44   0.00000  1.0 1.0
   38    40   -43    46   0.04150 -1.0 2.0
   38    40    43    48   0.14300 -1.0 2.0
   38    40    43    48   0.00300  1.0 3.0
   39    38    40    71   3.62500 -1.0 2.0
   39    38    40    43   3.62500 -1.0 2.0
   39    41    45    50   3.62500 -1.0 2.0
   39    41    45    52   3.62500 -1.0 2.0
   39    64    67    68   3.62500 -1.0 2.0
   39    64   -67    71   3.62500 -1.0 2.0
   41    39    64    59   3.62500 -1.0 2.0
   41    39    64    67   3.62500 -1.0 2.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    57   3.62500 -1.0 2.0
   41    45    52    77   3.62500 -1.0 2.0
   41    45   -52    59   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    63   3.62500 -1.0 2.0
   45    52    59    60   3.62500 -1.0 2.0
   45    52    59    64   3.62500 -1.0 2.0
   50    45    52    77   3.62500 -1.0 2.0
   50    45    52    59   3.62500 -1.0 2.0
   50    57    63    65   3.62500 -1.0 2.0
   50    57   -63    77   3.62500 -1.0 2.0
   51    50    57    58   3.62500 -1.0 2.0
   51    50    57    63   3.62500 -1.0 2.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    69   3.62500 -1.0 2.0
   57    63    77    75   3.62500 -1.0 2.0
   57    63    77    52   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   58    57    63    77   3.62500 -1.0 2.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    73   3.62500 -1.0 2.0
   63    77   -52    45   3.62500 -1.0 2.0
   63    77    52    59   3.62500 -1.0 2.0
   65    63    77    75   3.62500 -1.0 2.0
   65    63    77    52   3.62500 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   65    69   -73    75   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    73   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73    75    77   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75   -77    63   3.62500 -1.0 2.0
   73    75    77    52   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    52    45   3.62500 -1.0 2.0
   75    77    52    59   3.62500 -1.0 2.0
   76    75    77    63   3.62500 -1.0 2.0
   76    75    77    52   3.62500 -1.0 2.0
   77    63    65    66   3.62500 -1.0 2.0
   77    63   -65    69   3.62500 -1.0 2.0
   77    52    59    60   3.62500 -1.0 2.0
   77    52    59    64   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45   -50    57   3.62500 -1.0 2.0
   52    59   -64    39   3.62500 -1.0 2.0
   52    59    64    67   3.62500 -1.0 2.0
   59    64    67    68   3.62500 -1.0 2.0
   59    64    67    71   3.62500 -1.0 2.0
   60    59    64    39   3.62500 -1.0 2.0
   60    59    64    67   3.62500 -1.0 2.0
   64    39    41    42   3.62500 -1.0 2.0
   64    39   -41    45   3.62500 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    40   3.62500 -1.0 2.0
   67    71   -40    38   3.62500 -1.0 2.0
   67    71    40    43   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    40   3.62500 -1.0 2.0
   71    40    43    44   0.00000  1.0 1.0
   71    40    43    46   0.04150 -1.0 2.0
   71    40    43    48   0.14300 -1.0 2.0
   71    40    43    48   0.00300  1.0 3.0
   72    71    40    38   3.62500 -1.0 2.0
   72    71    40    43   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38   -39    64   3.62500 -1.0 2.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    53  -0.03700  1.0 1.0
   40    43    46    53   0.37200 -1.0 2.0
   40    43    46    53  -0.47300  1.0 3.0
   40    43    46    55   1.13150  1.0 1.0
   40    43    46    55  -1.01400 -1.0 2.0
   40    43    48    49   0.31900  1.0 1.0
   40    43    48    49  -0.11800 -1.0 2.0
   40    43    48    49   0.38750  1.0 3.0
   43    46   -53    33   0.56750  1.0 1.0
   43    46   -53    33  -0.07550 -1.0 2.0
   43    46   -53    33   0.20000  1.0 3.0
   43    46    53    54   0.15000  1.0 3.0
   43    46    53    61   0.86500  1.0 1.0
   43    46    53    61  -0.17500 -1.0 2.0
   43    46    53    61   0.20800  1.0 3.0
   43    46    55    56  -0.11600  1.0 1.0
   43    46    55    56  -0.09450 -1.0 2.0
   43    46    55    56   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53   0.15000  1.0 3.0
   44    43    46    55   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    53    61    62  -0.11600  1.0 1.0
   46    53    61    62  -0.09450 -1.0 2.0
   46    53    61    62   0.21250  1.0 3.0
   47    46    53    33   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    61   0.23400  1.0 3.0
   47    46    55    56   0.19450  1.0 3.0
   53    33    38    39   0.04150 -1.0 2.0
   53    33   -38    40   0.04150 -1.0 2.0
   53    46    55    56  -0.11600  1.0 1.0
   53    46    55    56  -0.09450 -1.0 2.0
   53    46    55    56   0.21250  1.0 3.0
   54    53    61    62   0.19450  1.0 3.0
   55    46    53    33   0.86500  1.0 1.0
   55    46    53    33  -0.17500 -1.0 2.0
   55    46    53    33   0.20800  1.0 3.0
   55    46    53    54   0.23400  1.0 3.0
   55    46    53    61   3.75450  1.0 1.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   0.86500  1.0 1.0
   48    43    46    53  -0.17500 -1.0 2.0
   48    43    46    53   0.20800  1.0 3.0
   48    43    46    55   3.75450  1.0 1.0
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
   39    40    38    33   4.00000 -1.0 2.0
   41    64    39    38   4.00000 -1.0 2.0
   45    42    41    39   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   57    51    50    45   1.10000 -1.0 2.0
   63    58    57    50   1.10000 -1.0 2.0
   65    77    63    57   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   73    70    69    65   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    52    77    63   4.00000 -1.0 2.0
   77    59    52    45   4.00000 -1.0 2.0
   64    60    59    52   1.10000 -1.0 2.0
   59    67    64    39   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   40    72    71    67   1.10000 -1.0 2.0
   71    43    40    38   4.00000 -1.0 2.0
END
