* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    163    272     497
    1     0 S   NP   _N1_     1    29.40209    93.93609   -24.61013
    2     1 S   H    _HN1     2     1.02829    21.19345   175.25352
    3     1 S   H    _H1_     3     1.02787   112.05004  -102.12318
    4     1 S   H    _H2_     4     1.02949    86.27278     6.19536
    5     1 S   CT   _CA1     5     1.50107   123.75470   118.34045
    6     5 S   HC   _HA1     6     1.09572   105.20021    78.14929
    7     5 S   CO3  _C1_     7     1.53788   112.45867   -42.11059
    8     7 S   O2Z  _O11     8     1.26373   115.00504   -42.71795
    9     7 S   O2Z  _O12     9     1.26238   114.94541   136.42817
   10     5 S   CT   _CB1    10     1.53078   107.43092  -163.84682
   11    10 S   HC   HB11    11     1.09833   109.39482   -49.56624
   12    10 S   HC   HB12    12     1.09814   110.44535    67.05021
   13    10 S   CT   _CG1    13     1.52993   112.59351  -170.53045
   14    13 S   HC   HG11    14     1.09580   110.64316   -65.42548
   15    13 S   HC   HG12    15     1.09668   109.78617    53.81876
   16    13 S   C    _CD1    16     1.51782   112.19716   174.29893
   17    16 S   O    _OE1    17     1.22737   123.27136     7.35898
   18    16 S   N    _N2_    18     1.38656   111.69866  -172.82406
   19    18 S   H    _HN2    19     1.01585   118.96046     1.77111
   20    18 S   CT1  _CA2    20     1.46085   123.39035   177.70953
   21    20 S   HC   _HA2    21     1.09556   109.36322     3.22416
   22    20 S   C    _C2_    22     1.53591   108.99301  -111.78542
   23    22 S   O    _O2_    23     1.23072   122.15688  -149.93826
   24    20 S   CT   _CB2    32     1.53288   111.66866   125.75121
   25    24 S   HC   HB21    33     1.09694   109.32012    62.34212
   26    24 S   HC   HB22    34     1.09471   111.16429   178.87743
   27    22 S   N    _N3_    24     1.38290   113.81261    37.62514
   28    27 S   H    _HN3    25     1.01576   119.59488    -3.49295
   29    24 S   S    _SG2    35     1.83079   115.20340   -56.96593
   30    27 S   CT   _CA3    26     1.45283   123.24044   177.02718
   31    30 S   HC   HA31    27     1.09549   107.53689   -64.04471
   32    30 S   HC   HA32    28     1.09556   107.96295    52.40104
   33    29 S   CT   _C13    36     1.83631   101.80485   -59.98935
   34    33 S   HC   _H6_    37     1.09445   108.40386    57.78250
   35    30 S   CO3  _C3_    29     1.52964   114.05174   174.38595
   36    35 S   O2Z  _O31    30     1.26380   116.05719    -0.31466
   37    35 S   O2Z  _O32    31     1.26423   114.41807   179.73756
   38    33 S   CT   _C12    38     1.52877   111.99686   -63.55274
   39    38 S   HC   _H20    39     1.09538   110.81779    64.00590
   40    38 S   HC   _H21    40     1.09788   110.36789   -54.44125
   41    38 S   CT   _C11    41     1.53046   111.75380  -175.56328
   42    41 S   HC   _H18    42     1.09484   107.55008   177.05463
   43    41 S   HC   _H19    43     1.09734   109.32098   -67.09011
   44    41 S   CT   _C10    44     1.53906   112.42327    55.09120
   45    44 S   HC   _H5_    45     1.09990   107.52366    63.07727
   46    44 S   CT   _C15    46     1.54690   109.72068   -54.48853
   47    46 S   HC   _H7_    47     1.09981   108.35159   -62.86828
   48    46 S   CT   _C16    48     1.53237   111.26814   178.82314
   49    48 S   HC   _H24    49     1.09741   110.06539   -65.20151
   50    48 S   HC   _H25    50     1.09660   109.98628   177.37714
   51    33 S   CT   _C14    77     1.53392   108.03875   174.45355
   52    51 S   HC   _H22    78     1.09874   110.42760    57.79277
   53    51 S   HC   _H23    79     1.09805   109.87838   -60.05630
   54    48 S   CT   _C17    51     1.52420   111.32624    56.31824
   55    54 S   HC   _H26    52     1.09674   108.93348    65.94231
   56    54 S   HC   _H27    53     1.09651   109.11267  -177.62892
   57    54 S   CT   _C18    54     1.53398   111.34045   -56.05092
   58    57 S   HC   _H8_    55     1.10092   107.06359   -60.26203
   59    57 S   CT   _C19    56     1.53813   111.56612  -175.92225
   60    59 S   HC   _H9_    57     1.10030   107.80400    64.96703
   61    44 S   CT   _C9_    75     1.55608   112.80266  -178.00639
   62    61 S   HC   _H4_    76     1.09874   107.60574    60.52105
   63    59 S   CT   _C20    58     1.53265   116.53182   -55.62671
   64    63 S   HC   _H28    59     1.09508   111.63831    82.51191
   65    63 S   HC   _H29    60     1.09525   111.91973   -37.70919
   66    63 S   CT   _C4_    61     1.53055   105.37560  -156.63079
   67    66 S   HC   _H10    62     1.09522   111.38183  -110.82899
   68    66 S   HC   _H11    63     1.09565   110.12557   130.22866
   69    66 S   CT   _C5_    64     1.52910   106.53520     9.89881
   70    69 S   HC   _H12    65     1.09457   112.13191   139.30430
   71    69 S   HC   _H13    66     1.09714   109.08630  -101.85073
   72    59 S   CT   _C6_    67     1.53160   113.27374  -175.49037
   73    72 S   HC   _H3_    68     1.09679   110.43664   -74.23715
   74    72 S   CT   _C7_    69     1.53086   112.84842    47.67050
   75    74 S   HC   _H14    70     1.09680   109.35653  -173.20632
   76    74 S   HC   _H15    71     1.09721   110.90410    70.05108
   77    74 S   CT   _C8_    72     1.52580   112.01016   -51.76923
   78    77 S   HC   _H16    73     1.09467   107.55526   178.63427
   79    77 S   HC   _H17    74     1.09710   109.61920   -65.30647
  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  12   6   5  12   5   4  19   8  14   8  12
   6   5   4   1   1  11   5   4  16   7  18   9   9   4  11   6
   5   8   5   4   8   4   3   7   4   5   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    51    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47    48    51    52    53  
   38    39    40    41    46    51    52    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    61    51    52    53  
   40    41    42    43    44    51  
   41    42    43    44    51  
   42    43    44    45    46    47    48    57    77    61    62    51  
   43    44    45    46    61  
   44    45    46    61  
   45    46    47    48    49    50    54    57    58    59    74    77    78    79    61    62    51    52    53  
   46    47    48    57    77    61    62    51  
   47    48    49    50    54    55    56    57    77    61    62    51    52    53  
   48    49    50    54    61    51    52    53  
   49    50    54    55    56    57    58    59    61    51    52    53  
   50    54    55    56    57    51  
   54    55    56    57    51  
   52    53    54    61  
   53  
    0  
   55    56    57    58    59    60    63    72    77    61    62  
   56    57    58    59    61  
   57    58    59    61  
   58    59    60    63    64    65    66    69    72    73    74    77    78    79    61    62  
   59    60    63    72    77    61    62  
   60    63    64    65    66    67    68    69    70    71    72    73    74    75    76    77    61    62  
   63    64    65    66    69    72    73    74    61  
   62    63    72    74    75    76    77    78    79  
   74    77    78    79  
   64    65    66    67    68    69    70    71    72    73    74  
   65    66    67    68    69    72  
   66    67    68    69    72  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79  
   74    75    76    77  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    61   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    72   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    61   268.000  1.529
   61    62   340.000  1.090
   51    52   340.000  1.090
   51    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    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    51    46    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    61    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    46    51    58.35000  112.70000
   44    61    57    58.35000  112.70000
   44    61    77    58.35000  112.70000
   44    61    62    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    59    58.35000  112.70000
   54    57    61    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    63    58.35000  112.70000
   57    59    72    58.35000  112.70000
   57    61    77    58.35000  112.70000
   57    61    62    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    58.35000  112.70000
   59    72    69    58.35000  112.70000
   59    72    73    37.50000  110.70000
   59    72    74    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    59    60    37.50000  110.70000
   72    59    63    58.35000  112.70000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    58.35000  112.70000
   74    72    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    61    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    61    62    37.50000  110.70000
   79    77    78    33.00000  107.80000
   61    44    45    37.50000  110.70000
   61    44    46    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    57    59    58.35000  112.70000
   61    77    78    37.50000  110.70000
   61    77    79    37.50000  110.70000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   53    51    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  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    51    46   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    53   0.15000  1.0 3.0
   38    33    51    46   0.56750  1.0 1.0
   38    33    51    46  -0.07550 -1.0 2.0
   38    33    51    46   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53   0.15000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    46   0.56750  1.0 1.0
   38    41   -44    46  -0.07550 -1.0 2.0
   38    41   -44    46   0.20000  1.0 3.0
   38    41    44    61   0.56750  1.0 1.0
   38    41    44    61  -0.07550 -1.0 2.0
   38    41    44    61   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    47   0.15000  1.0 3.0
   41    44    46    48   0.56750  1.0 1.0
   41    44    46    48  -0.07550 -1.0 2.0
   41    44    46    48   0.20000  1.0 3.0
   41    44    46    51   0.56750  1.0 1.0
   41    44    46    51  -0.07550 -1.0 2.0
   41    44    46    51   0.20000  1.0 3.0
   41    44    61    57   0.56750  1.0 1.0
   41    44    61    57  -0.07550 -1.0 2.0
   41    44    61    57   0.20000  1.0 3.0
   41    44    61    77   0.56750  1.0 1.0
   41    44    61    77  -0.07550 -1.0 2.0
   41    44    61    77   0.20000  1.0 3.0
   41    44    61    62   0.15000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    61   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    61   0.15000  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    54   0.56750  1.0 1.0
   44    46    48    54  -0.07550 -1.0 2.0
   44    46    48    54   0.20000  1.0 3.0
   44    46   -51    33   0.56750  1.0 1.0
   44    46   -51    33  -0.07550 -1.0 2.0
   44    46   -51    33   0.20000  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    61    57   0.15000  1.0 3.0
   45    44    61    77   0.15000  1.0 3.0
   45    44    61    62   0.15000  1.0 3.0
   46    44    61    57   0.56750  1.0 1.0
   46    44    61    57  -0.07550 -1.0 2.0
   46    44    61    57   0.20000  1.0 3.0
   46    44    61    77   0.56750  1.0 1.0
   46    44    61    77  -0.07550 -1.0 2.0
   46    44    61    77   0.20000  1.0 3.0
   46    44    61    62   0.15000  1.0 3.0
   46    48    54    55   0.15000  1.0 3.0
   46    48    54    56   0.15000  1.0 3.0
   46    48   -54    57   0.56750  1.0 1.0
   46    48   -54    57  -0.07550 -1.0 2.0
   46    48   -54    57   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    54   0.15000  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   48    46    51    33   0.56750  1.0 1.0
   48    46    51    33  -0.07550 -1.0 2.0
   48    46    51    33   0.20000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    54    57    58   0.15000  1.0 3.0
   48    54    57    59   0.56750  1.0 1.0
   48    54    57    59  -0.07550 -1.0 2.0
   48    54    57    59   0.20000  1.0 3.0
   48    54    57    61   0.56750  1.0 1.0
   48    54    57    61  -0.07550 -1.0 2.0
   48    54    57    61   0.20000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    57   0.15000  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   50    48    54    57   0.15000  1.0 3.0
   54    57    59    60   0.15000  1.0 3.0
   54    57    59    63   0.56750  1.0 1.0
   54    57    59    63  -0.07550 -1.0 2.0
   54    57    59    63   0.20000  1.0 3.0
   54    57    59    72   0.56750  1.0 1.0
   54    57    59    72  -0.07550 -1.0 2.0
   54    57    59    72   0.20000  1.0 3.0
   54    57   -61    44   0.56750  1.0 1.0
   54    57   -61    44  -0.07550 -1.0 2.0
   54    57   -61    44   0.20000  1.0 3.0
   54    57    61    77   0.56750  1.0 1.0
   54    57    61    77  -0.07550 -1.0 2.0
   54    57    61    77   0.20000  1.0 3.0
   54    57    61    62   0.15000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    61   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    61   0.15000  1.0 3.0
   57    59    63    64   0.15000  1.0 3.0
   57    59    63    65   0.15000  1.0 3.0
   57    59    63    66   0.56750  1.0 1.0
   57    59    63    66  -0.07550 -1.0 2.0
   57    59    63    66   0.20000  1.0 3.0
   57    59    72    69   0.56750  1.0 1.0
   57    59    72    69  -0.07550 -1.0 2.0
   57    59    72    69   0.20000  1.0 3.0
   57    59    72    73   0.15000  1.0 3.0
   57    59    72    74   0.56750  1.0 1.0
   57    59    72    74  -0.07550 -1.0 2.0
   57    59    72    74   0.20000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    59    72   0.15000  1.0 3.0
   58    57    61    44   0.15000  1.0 3.0
   58    57    61    77   0.15000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   59    57    61    44   0.56750  1.0 1.0
   59    57    61    44  -0.07550 -1.0 2.0
   59    57    61    44   0.20000  1.0 3.0
   59    57    61    77   0.56750  1.0 1.0
   59    57    61    77  -0.07550 -1.0 2.0
   59    57    61    77   0.20000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    68   0.15000  1.0 3.0
   59    63   -66    69   0.56750  1.0 1.0
   59    63   -66    69  -0.07550 -1.0 2.0
   59    63   -66    69   0.20000  1.0 3.0
   59    72    74    75   0.15000  1.0 3.0
   59    72    74    76   0.15000  1.0 3.0
   59    72   -74    77   0.56750  1.0 1.0
   59    72   -74    77  -0.07550 -1.0 2.0
   59    72   -74    77   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    72    69   0.15000  1.0 3.0
   60    59    72    73   0.15000  1.0 3.0
   60    59    72    74   0.15000  1.0 3.0
   63    59   -72    69   0.56750  1.0 1.0
   63    59   -72    69  -0.07550 -1.0 2.0
   63    59   -72    69   0.20000  1.0 3.0
   63    59    72    73   0.15000  1.0 3.0
   63    59    72    74   0.56750  1.0 1.0
   63    59    72    74  -0.07550 -1.0 2.0
   63    59    72    74   0.20000  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69   -72    59   0.56750  1.0 1.0
   66    69   -72    59  -0.07550 -1.0 2.0
   66    69   -72    59   0.20000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.56750  1.0 1.0
   66    69    72    74  -0.07550 -1.0 2.0
   66    69    72    74   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    74    75   0.15000  1.0 3.0
   69    72    74    76   0.15000  1.0 3.0
   69    72    74    77   0.56750  1.0 1.0
   69    72    74    77  -0.07550 -1.0 2.0
   69    72    74    77   0.20000  1.0 3.0
   70    69    72    59   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   71    69    72    59   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   72    59    63    64   0.15000  1.0 3.0
   72    59    63    65   0.15000  1.0 3.0
   72    59   -63    66   0.56750  1.0 1.0
   72    59   -63    66  -0.07550 -1.0 2.0
   72    59   -63    66   0.20000  1.0 3.0
   72    74    77    78   0.15000  1.0 3.0
   72    74    77    79   0.15000  1.0 3.0
   72    74    77    61   0.56750  1.0 1.0
   72    74    77    61  -0.07550 -1.0 2.0
   72    74    77    61   0.20000  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   74    77    61    44   0.56750  1.0 1.0
   74    77    61    44  -0.07550 -1.0 2.0
   74    77    61    44   0.20000  1.0 3.0
   74    77   -61    57   0.56750  1.0 1.0
   74    77   -61    57  -0.07550 -1.0 2.0
   74    77   -61    57   0.20000  1.0 3.0
   74    77    61    62   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    61   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    61   0.15000  1.0 3.0
   78    77    61    44   0.15000  1.0 3.0
   78    77    61    57   0.15000  1.0 3.0
   78    77    61    62   0.15000  1.0 3.0
   79    77    61    44   0.15000  1.0 3.0
   79    77    61    57   0.15000  1.0 3.0
   79    77    61    62   0.15000  1.0 3.0
   61    44    46    47   0.15000  1.0 3.0
   61    44   -46    48   0.56750  1.0 1.0
   61    44   -46    48  -0.07550 -1.0 2.0
   61    44   -46    48   0.20000  1.0 3.0
   61    44    46    51   0.56750  1.0 1.0
   61    44    46    51  -0.07550 -1.0 2.0
   61    44    46    51   0.20000  1.0 3.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    63   0.56750  1.0 1.0
   61    57    59    63  -0.07550 -1.0 2.0
   61    57    59    63   0.20000  1.0 3.0
   61    57   -59    72   0.56750  1.0 1.0
   61    57   -59    72  -0.07550 -1.0 2.0
   61    57   -59    72   0.20000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33   -38    41   0.56750  1.0 1.0
   51    33   -38    41  -0.07550 -1.0 2.0
   51    33   -38    41   0.20000  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    54   0.56750  1.0 1.0
   51    46    48    54  -0.07550 -1.0 2.0
   51    46    48    54   0.20000  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
END
