* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    161    275     482
    1     0 S   NP   _N1_     1    28.96231    94.38194   -24.74993
    2     1 S   H    _HN1     2     1.02777   110.66214  -110.97118
    3     1 S   H    _H1_     3     1.02955    88.62373    -1.85720
    4     1 S   H    _H2_     4     1.02839    19.00186   164.08881
    5     1 S   CT   _CA1     5     1.50120   123.39288   111.86518
    6     5 S   HC   _HA1     6     1.09573   105.22733    75.18816
    7     5 S   CO3  _C1_     7     1.53786   112.32996   -45.04982
    8     7 S   O2Z  _O11     8     1.26367   114.98527   -44.74126
    9     7 S   O2Z  _O12     9     1.26230   114.92987   134.37581
   10     5 S   CT   _CB1    10     1.53101   107.44484  -166.87020
   11    10 S   HC   HB11    11     1.09828   109.37873   -50.24831
   12    10 S   HC   HB12    12     1.09821   110.43376    66.32431
   13    10 S   CT   _CG1    13     1.53028   112.63789  -171.28837
   14    13 S   HC   HG11    14     1.09592   110.51393   -63.84247
   15    13 S   HC   HG12    15     1.09652   109.92623    55.38818
   16    13 S   C    _CD1    16     1.51802   112.25612   175.80054
   17    16 S   O    _OE1    17     1.22784   123.27343     1.07920
   18    16 S   N    _N2_    18     1.38606   111.77676  -179.23947
   19    18 S   H    _HN2    19     1.01583   119.11452     4.75374
   20    18 S   CT1  _CA2    20     1.45534   122.71220   178.16048
   21    20 S   HC   _HA2    21     1.09449   108.64446    16.91057
   22    20 S   C    _C2_    22     1.52850   107.95133   -98.80740
   23    22 S   O    _O2_    23     1.22868   123.28776   -26.08172
   24    20 S   CT   _CB2    32     1.53199   112.37273   140.49381
   25    24 S   HC   HB21    33     1.09683   109.56809    56.33317
   26    24 S   HC   HB22    34     1.09506   111.32818   173.05782
   27    22 S   N    _N3_    24     1.38536   111.96772   156.54399
   28    27 S   H    _HN3    25     1.01588   120.26765    -2.62361
   29    24 S   S    _SG2    35     1.83129   114.77932   -63.28952
   30    27 S   CT   _CA3    26     1.45276   123.12206   178.27116
   31    30 S   HC   HA31    27     1.09546   107.94838   -54.35248
   32    30 S   HC   HA32    28     1.09540   107.62916    62.20079
   33    29 S   CT   _C17    36     1.85968   101.72821   -59.56206
   34    33 S   HC   _H8_    37     1.08723   102.11546    62.33368
   35    30 S   CO3  _C3_    29     1.53021   113.75148  -176.20821
   36    35 S   O2Z  _O31    30     1.26427   115.94564     0.31466
   37    35 S   O2Z  _O32    31     1.26385   114.48459  -179.71333
   38    33 S   CT   _C16    38     1.53805   111.96258   -51.65154
   39    38 S   HC   _H23    39     1.09657   111.81917   -42.37683
   40    38 S   HC   _H24    40     1.09434   110.59854    77.59010
   41    33 S   CT   _C18    75     1.56676   112.63679   176.02665
   42    41 S   OM   _O33    76     1.31943   108.36892    66.49519
   43    41 S   HC   _H9_    77     1.10094   104.97705   -59.83438
   44    38 S   NP   _N4_    41     1.50666   113.82827  -161.44838
   45    44 S   H    _H7_    42     1.02938   104.36369    88.77759
   46    44 S   CT   _C15    43     1.51580   115.19836  -154.31287
   47    46 S   HC   _H21    44     1.09571   106.96757   -44.27550
   48    46 S   HC   _H22    45     1.09421   107.14641  -158.87254
   49    46 S   CT   _C14    46     1.53139   113.93215    78.72800
   50    49 S   HC   _H19    47     1.09711   109.08631   -74.40633
   51    49 S   HC   _H20    48     1.09617   109.15918   170.06494
   52    49 S   CT   _C13    49     1.53367   113.97132    47.52246
   53    52 S   HC   _H17    50     1.09539   110.19197    68.61239
   54    52 S   HC   _H18    51     1.09583   109.35495  -173.69637
   55    52 S   CT   _C12    52     1.52217   107.75667   -53.47238
   56    55 S   HC   _H6_    53     1.09762   105.55112   -54.73322
   57    55 S   CT   _C11    54     1.53818   116.49640  -169.00239
   58    57 S   HC   _H5_    55     1.09506   110.87697    53.52383
   59    57 S   CT   _C10    56     1.51886   110.20496   176.70860
   60    59 S   HC   _H15    57     1.08708   114.76417   -49.40016
   61    59 S   HC   _H16    58     1.09903   109.82786  -169.88866
   62    59 S   CT   _C9_    59     1.51746    99.19666    75.02228
   63    62 S   HC   _H4_    60     1.09445   111.75198   161.32143
   64    62 S   CO4  _C19    61     1.52002    96.08849    47.17244
   65    64 S   O    _O35    62     1.22009   126.64725   146.72312
   66    62 S   C4T  _C8_    64     1.58762   111.69962   -72.91195
   67    57 S   OS   _O34    63     1.42885   112.97744   -69.23860
   68    66 S   C4T  _C5_    65     1.61396   108.89765   147.43392
   69    68 S   HC   _H3_    66     1.09844   111.81290    18.37449
   70    44 S   C4T  _C7_    70     1.51439   112.35086   -27.99784
   71    68 S   C4T  _C6_    67     1.54495    88.52777   -95.31898
   72    71 S   HC   _H13    68     1.09379   114.38336   102.85875
   73    71 S   HC   _H14    69     1.09546   114.23470  -136.28995
   74    68 S   CT   _C4_    71     1.52775   128.34978   147.39108
   75    74 S   HC   _H10    72     1.09276   112.98619    51.29290
   76    74 S   HC   _H11    73     1.09463   110.87797   -71.34782
   77    74 S   HC   _H12    74     1.09628   109.97383   170.84779
  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
  14   8   2   1   1  15   6   5  14   5   4  18   8  12   6   5
   9   5   4  11   5   4  15   7  12   7  10   6   5  10   6   5
   2  11   1   9   8   4   6   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    66    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    62    66    68    70    41    42    43  
   38    39    40    44    66    41    42    43  
   36    37  
   37  
    0  
   39    40    44    45    46    47    48    49    55    66    71    70    41    42    43  
   40    44    45    46    70    41  
   44    45    46    70    41  
   42    43    44    55    59    62    63    64    66    68    69    70    71    74  
   43    62    66    68    70  
   62    66    68    70  
   45    46    47    48    49    50    51    52    55    56    57    62    66    68    71    72    73    70  
   46    47    48    49    55    66    71    70  
   47    48    49    50    51    52    53    54    55    66    71    70  
   48    49    50    51    52    70  
   49    50    51    52    70  
   50    51    52    53    54    55    56    57    70  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    67    66    71    70  
   54    55    56    57    70  
   55    56    57    70  
   56    57    58    59    60    61    62    64    67    66    68    71    72    73    70  
   57    58    59    67    66    71    70  
   58    59    60    61    62    63    64    65    67    66    71    70  
   59    60    61    62    64    67    70  
   60    61    62    63    64    65    67    66    68    70  
   61    62    63    64    67    66  
   62    63    64    67    66  
   63    64    65    67    66    68    69    71    70    74  
   64    65    67    66    68    70  
   65    67    66    68    70  
   67    66  
   68    69    71    72    73    70    74    75    76    77    67  
   70  
   69    71    72    73    70    74    75    76    77  
   71    72    73    70    74    75    76    77  
   74    71    72    73  
   72    73    74    75    76    77  
   73    74  
   74  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.058800   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   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    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   367.000  1.471
   44    45   434.000  1.010
   44    46   367.000  1.471
   44    70   367.000  1.471
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    70   260.000  1.519
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    67   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   260.000  1.519
   64    65   570.000  1.229
   64    67   214.000  1.327
   66    68   268.000  1.529
   66    70   268.000  1.529
   66    41   260.000  1.519
   68    69   340.000  1.090
   68    71   268.000  1.529
   68    74   260.000  1.519
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    70   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   41    42   570.000  1.307
   41    43   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    80.00000  111.20000
   33    41    66    70.00000  112.98000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    35.00000  109.50000
   38    44    46    75.00000  113.01200
   38    44    70    75.00000  113.01200
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    35.00000  109.50000
   44    46    49    80.00000  111.20000
   44    70    55    80.00000  111.20000
   44    70    66    80.00000  111.20000
   44    70    71    80.00000  111.20000
   46    44    45    35.00000  109.50000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    70    70.00000  112.98000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    58.35000  112.70000
   55    57    67    50.00000  109.50000
   55    70    66    65.00000  119.52000
   55    70    71    65.00000  119.52000
   57    55    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    58.35000  112.70000
   57    67    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    63.00000  111.10000
   59    62    66    70.00000  112.98000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    80.00000  120.40000
   62    64    67    81.00000  111.40000
   62    66    68    65.00000  119.52000
   62    66    70    65.00000  119.52000
   62    66    41    58.35000  112.70000
   64    62    63    35.00000  109.50000
   67    57    58    35.00000  109.50000
   67    57    59    50.00000  109.50000
   67    64    65    83.00000  123.40000
   66    62    63    45.00000  111.22300
   66    62    64    63.00000  111.10000
   66    68    69    37.50000  110.70000
   66    68    71    63.00000   92.00000
   66    68    74    65.00000  119.52000
   66    70    71    63.00000   92.00000
   66    41    42    50.00000  109.50000
   66    41    43    45.00000  111.22300
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    70    63.00000   92.00000
   68    74    75    45.00000  111.22300
   68    74    76    45.00000  111.22300
   68    74    77    45.00000  111.22300
   71    68    69    37.50000  110.70000
   73    71    72    33.00000  107.80000
   70    44    45    35.00000  109.50000
   70    44    46    75.00000  113.01200
   70    55    56    45.00000  111.22300
   70    55    57    70.00000  112.98000
   70    66    68    63.00000   92.00000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   74    68    69    45.00000  112.72800
   74    68    71    65.00000  119.52000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    66    68    65.00000  119.52000
   41    66    70    65.00000  119.52000
   43    41    42    45.00000  125.66300
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    66   0.44750  1.0 1.0
   29    33    41    66  -0.17800 -1.0 2.0
   29    33    41    66   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   33    38    44    45   0.17350  1.0 3.0
   33    38    44    46   0.47100  1.0 1.0
   33    38    44    70   0.47100  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.19200  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   38    33    41    66   0.31550 -1.0 2.0
   38    33    41    66   0.11250  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    44    46    47   0.15000  1.0 3.0
   38    44    46    48   0.15000  1.0 3.0
   38    44    46    49   0.47100  1.0 1.0
   38    44    70    55   0.47100  1.0 1.0
   38    44   -70    66   0.47100  1.0 1.0
   38    44    70    71   0.47100  1.0 1.0
   39    38    44    45   0.13050  1.0 3.0
   39    38    44    46   0.15000  1.0 3.0
   39    38    44    70   0.15000  1.0 3.0
   40    38    44    45   0.13050  1.0 3.0
   40    38    44    46   0.15000  1.0 3.0
   40    38    44    70   0.15000  1.0 3.0
   44    46    49    50   0.19200  1.0 3.0
   44    46    49    51   0.19200  1.0 3.0
   44    46    49    52   1.36600  1.0 1.0
   44    46    49    52  -0.11450 -1.0 2.0
   44    46    49    52   0.24250  1.0 3.0
   45    44    46    47   0.13050  1.0 3.0
   45    44    46    48   0.13050  1.0 3.0
   45    44    46    49   0.17350  1.0 3.0
   45    44    70    55   0.17350  1.0 3.0
   45    44    70    66   0.17350  1.0 3.0
   45    44    70    71   0.17350  1.0 3.0
   46    44    70    55   0.47100  1.0 1.0
   46    44    70    66   0.47100  1.0 1.0
   46    44    70    71   0.47100  1.0 1.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49   -52    55   0.56750  1.0 1.0
   46    49   -52    55  -0.07550 -1.0 2.0
   46    49   -52    55   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.56750  1.0 1.0
   49    52    55    57  -0.07550 -1.0 2.0
   49    52    55    57   0.20000  1.0 3.0
   49    52    55    70   0.31550 -1.0 2.0
   49    52    55    70   0.11250  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.56750  1.0 1.0
   52    55    57    59  -0.07550 -1.0 2.0
   52    55    57    59   0.20000  1.0 3.0
   52    55    57    67   0.62750  1.0 1.0
   52    55    57    67  -0.30950 -1.0 2.0
   52    55    57    67   0.27300  1.0 3.0
   52    55   -70    44   1.36600  1.0 1.0
   52    55   -70    44  -0.11450 -1.0 2.0
   52    55   -70    44   0.24250  1.0 3.0
   52    55    70    66   0.04050  1.0 1.0
   52    55    70    66   0.63700 -1.0 2.0
   52    55    70    66   0.17650  1.0 3.0
   52    55    70    71   0.04050  1.0 1.0
   52    55    70    71   0.63700 -1.0 2.0
   52    55    70    71   0.17650  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    70   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    70   0.15000  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    61   0.15000  1.0 3.0
   55    57    59    62   0.56750  1.0 1.0
   55    57    59    62  -0.07550 -1.0 2.0
   55    57    59    62   0.20000  1.0 3.0
   55    57    67    64  -0.25900  1.0 1.0
   55    57    67    64  -0.47000 -1.0 2.0
   55    57    67    64   0.11750  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    67   0.23400  1.0 3.0
   56    55    70    44   0.19200  1.0 3.0
   56    55    70    66   0.00000  1.0 1.0
   56    55    70    71   0.00000  1.0 1.0
   57    55    70    44   1.36600  1.0 1.0
   57    55    70    44  -0.11450 -1.0 2.0
   57    55    70    44   0.24250  1.0 3.0
   57    55    70    66   0.04050  1.0 1.0
   57    55    70    66   0.63700 -1.0 2.0
   57    55    70    66   0.17650  1.0 3.0
   57    55    70    71   0.04050  1.0 1.0
   57    55    70    71   0.63700 -1.0 2.0
   57    55    70    71   0.17650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59   -62    64  -0.95700  1.0 1.0
   57    59   -62    64  -0.18200 -1.0 2.0
   57    59   -62    64   0.29450  1.0 3.0
   57    59   -62    66   0.31550 -1.0 2.0
   57    59   -62    66   0.11250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    67    64   0.08050  1.0 3.0
   59    57   -67    64  -0.25900  1.0 1.0
   59    57   -67    64  -0.47000 -1.0 2.0
   59    57   -67    64   0.11750  1.0 3.0
   59    62    64    65   0.30150 -1.0 2.0
   59    62   -64    67   0.36750  1.0 3.0
   59    62    66    68   0.04050  1.0 1.0
   59    62    66    68   0.63700 -1.0 2.0
   59    62    66    68   0.17650  1.0 3.0
   59    62    66    70   0.04050  1.0 1.0
   59    62    66    70   0.63700 -1.0 2.0
   59    62    66    70   0.17650  1.0 3.0
   59    62    66    41   0.56750  1.0 1.0
   59    62    66    41  -0.07550 -1.0 2.0
   59    62    66    41   0.20000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64  -0.11250  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64  -0.11250  1.0 3.0
   61    59    62    66   0.15000  1.0 3.0
   62    64   -67    57   1.63150  1.0 1.0
   62    64   -67    57   2.92000 -1.0 2.0
   62    66    68    69   0.15000  1.0 3.0
   62    66    68    71  -0.70950  1.0 1.0
   62    66    68    71   0.38400 -1.0 2.0
   62    66    68    74   0.56750  1.0 1.0
   62    66    68    74  -0.07550 -1.0 2.0
   62    66    68    74   0.20000  1.0 3.0
   62    66    70    44   1.36600  1.0 1.0
   62    66    70    44  -0.11450 -1.0 2.0
   62    66    70    44   0.24250  1.0 3.0
   62    66   -70    55   0.56750  1.0 1.0
   62    66   -70    55  -0.07550 -1.0 2.0
   62    66   -70    55   0.20000  1.0 3.0
   62    66   -70    71  -0.70950  1.0 1.0
   62    66   -70    71   0.38400 -1.0 2.0
   62    66    41    33   0.56750  1.0 1.0
   62    66    41    33  -0.07550 -1.0 2.0
   62    66    41    33   0.20000  1.0 3.0
   62    66    41    42   0.62750  1.0 1.0
   62    66    41    42  -0.30950 -1.0 2.0
   62    66    41    42   0.27300  1.0 3.0
   62    66    41    43   0.15000  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    70   0.00000  1.0 1.0
   63    62    66    41   0.15000  1.0 3.0
   64    62    66    68  -0.95700  1.0 1.0
   64    62    66    68  -0.18200 -1.0 2.0
   64    62    66    68   0.29450  1.0 3.0
   64    62    66    70  -0.95700  1.0 1.0
   64    62    66    70  -0.18200 -1.0 2.0
   64    62    66    70   0.29450  1.0 3.0
   64    62    66    41  -0.95700  1.0 1.0
   64    62    66    41  -0.18200 -1.0 2.0
   64    62    66    41   0.29450  1.0 3.0
   65    64    67    57   3.00000 -1.0 2.0
   67    57    59    60   0.23400  1.0 3.0
   67    57    59    61   0.23400  1.0 3.0
   67    57   -59    62   0.62750  1.0 1.0
   67    57   -59    62  -0.30950 -1.0 2.0
   67    57   -59    62   0.27300  1.0 3.0
   66    62    64    65   0.30150 -1.0 2.0
   66    62    64    67   0.36750  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68   -71    70   0.00000  1.0 1.0
   66    68    74    75   0.00000  1.0 1.0
   66    68    74    76   0.00000  1.0 1.0
   66    68    74    77   0.00000  1.0 1.0
   68    66    70    44   1.36600  1.0 1.0
   68    66    70    44  -0.11450 -1.0 2.0
   68    66    70    44   0.24250  1.0 3.0
   68    66    70    55  -0.70950  1.0 1.0
   68    66    70    55   0.38400 -1.0 2.0
   68    66   -70    71   0.00000  1.0 1.0
   68    66    41    33   0.04050  1.0 1.0
   68    66    41    33   0.63700 -1.0 2.0
   68    66    41    33   0.17650  1.0 3.0
   68    66    41    42   0.62750  1.0 1.0
   68    66    41    42  -0.30950 -1.0 2.0
   68    66    41    42   0.27300  1.0 3.0
   68    66    41    43   0.00000  1.0 1.0
   68    71   -70    44   1.36600  1.0 1.0
   68    71   -70    44  -0.11450 -1.0 2.0
   68    71   -70    44   0.24250  1.0 3.0
   68    71   -70    55  -0.70950  1.0 1.0
   68    71   -70    55   0.38400 -1.0 2.0
   68    71   -70    66   0.00000  1.0 1.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    70   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   71    68    74    75   0.00000  1.0 1.0
   71    68    74    76   0.00000  1.0 1.0
   71    68    74    77   0.00000  1.0 1.0
   72    71    70    44   0.19200  1.0 3.0
   72    71    70    55   0.15000  1.0 3.0
   72    71   -70    66   0.15000  1.0 3.0
   73    71    70    44   0.19200  1.0 3.0
   73    71    70    55   0.15000  1.0 3.0
   73    71   -70    66   0.15000  1.0 3.0
   70    44    46    47   0.15000  1.0 3.0
   70    44    46    48   0.15000  1.0 3.0
   70    44   -46    49   0.47100  1.0 1.0
   70    55    57    58   0.15000  1.0 3.0
   70    55   -57    59   0.31550 -1.0 2.0
   70    55   -57    59   0.11250  1.0 3.0
   70    55    57    67   0.62750  1.0 1.0
   70    55    57    67  -0.30950 -1.0 2.0
   70    55    57    67   0.27300  1.0 3.0
   70    66   -68    69   0.15000  1.0 3.0
   70    66   -68    71   0.00000  1.0 1.0
   70    66    68    74  -0.70950  1.0 1.0
   70    66    68    74   0.38400 -1.0 2.0
   70    66   -41    33   0.04050  1.0 1.0
   70    66   -41    33   0.63700 -1.0 2.0
   70    66   -41    33   0.17650  1.0 3.0
   70    66    41    42   0.62750  1.0 1.0
   70    66    41    42  -0.30950 -1.0 2.0
   70    66    41    42   0.27300  1.0 3.0
   70    66    41    43   0.00000  1.0 1.0
   74    68    71    72   0.15000  1.0 3.0
   74    68    71    73   0.15000  1.0 3.0
   74    68   -71    70  -0.70950  1.0 1.0
   74    68   -71    70   0.38400 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   1.36600  1.0 1.0
   41    33    38    44  -0.11450 -1.0 2.0
   41    33    38    44   0.24250  1.0 3.0
   41    66    68    69   0.15000  1.0 3.0
   41    66    68    71  -0.70950  1.0 1.0
   41    66    68    71   0.38400 -1.0 2.0
   41    66    68    74   0.56750  1.0 1.0
   41    66    68    74  -0.07550 -1.0 2.0
   41    66    68    74   0.20000  1.0 3.0
   41    66   -70    44   1.36600  1.0 1.0
   41    66   -70    44  -0.11450 -1.0 2.0
   41    66   -70    44   0.24250  1.0 3.0
   41    66    70    55   0.56750  1.0 1.0
   41    66    70    55  -0.07550 -1.0 2.0
   41    66    70    55   0.20000  1.0 3.0
   41    66   -70    71  -0.70950  1.0 1.0
   41    66   -70    71   0.38400 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   62    67    64    65  10.50000 -1.0 2.0
END
