* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    238     447
    1     0 S   NP   _N1_     1    28.74940    94.68470   -20.66582
    2     1 S   H    _HN1     2     1.02962    93.62703    35.28905
    3     1 S   H    _H1_     3     1.02837    31.74961   152.42607
    4     1 S   H    _H2_     4     1.02778    85.80020   -72.83290
    5     1 S   CT   _CA1     5     1.50108   141.97593   165.70208
    6     5 S   HC   _HA1     6     1.09570   105.28287    51.77758
    7     5 S   CO3  _C1_     7     1.53828   112.29439   -68.54119
    8     7 S   O2Z  _O11     8     1.26360   115.01812   -45.55715
    9     7 S   O2Z  _O12     9     1.26236   114.91340   133.64822
   10     5 S   CT   _CB1    10     1.53083   107.43046   169.73914
   11    10 S   HC   HB11    11     1.09819   109.47745   -50.30804
   12    10 S   HC   HB12    12     1.09835   110.34538    66.26628
   13    10 S   CT   _CG1    13     1.53015   112.64850  -171.43702
   14    13 S   HC   HG11    14     1.09595   110.30123   -59.97701
   15    13 S   HC   HG12    15     1.09619   110.20312    59.26819
   16    13 S   C    _CD1    16     1.51781   112.09945   179.60683
   17    16 S   O    _OE1    17     1.22734   123.18475   -10.88061
   18    16 S   N    _N2_    18     1.38613   111.70539   169.29580
   19    18 S   H    _HN2    19     1.01588   119.04698     2.24585
   20    18 S   CT1  _CA2    20     1.46284   123.34201  -175.76104
   21    20 S   HC   _HA2    21     1.09728   109.34651   -15.97102
   22    20 S   C    _C2_    22     1.53335   108.42363  -131.89554
   23    22 S   O    _O2_    23     1.23006   122.26052  -145.69075
   24    20 S   CT   _CB2    32     1.53521   111.13134   105.97676
   25    24 S   HC   HB21    33     1.09590   109.51753    55.98910
   26    24 S   HC   HB22    34     1.09497   110.78218   174.81443
   27    22 S   N    _N3_    24     1.38513   113.31088    41.66887
   28    27 S   H    _HN3    25     1.01535   118.90679    -0.55813
   29    24 S   S    _SG2    35     1.82802   111.54252   -65.30615
   30    27 S   CT   _CA3    26     1.45449   123.42120   175.09260
   31    30 S   HC   HA31    27     1.09525   109.20203    24.97540
   32    30 S   HC   HA32    28     1.09494   107.12848   141.97753
   33    29 S   CT   _C16    36     1.83121    99.68737   153.91193
   34    33 S   HC   _H3_    37     1.09577   108.97179   -46.47341
   35    30 S   CO3  _C3_    29     1.52930   113.14905   -98.47555
   36    35 S   O2Z  _O31    30     1.26400   115.42209   -44.01065
   37    35 S   O2Z  _O32    31     1.26358   114.97098   136.93103
   38    33 S   CT   _C9_    38     1.53344   107.61681    74.32569
   39    38 S   HC   _H26    39     1.09529   113.69469    32.86763
   40    38 S   HC   _H27    40     1.09353   111.47210   -92.84611
   41    38 S   CO4  _C6_    41     1.50394   103.28377   148.88499
   42    41 S   O    _O19    42     1.22596   122.68340   175.86048
   43    41 S   CT   _C17    43     1.52831   112.63940    -2.35750
   44    33 S   CT   _C12    44     1.55110   114.98476  -169.83115
   45    44 S   HC   _H31    45     1.10025   105.70289   -43.76159
   46    43 S   CT   _C15    62     1.54873   109.78787  -141.76956
   47    46 S   HC   _H34    63     1.09887   107.10239   -49.83646
   48    43 S   CT   _C20    75     1.54072   103.34039    96.99509
   49    48 S   HC   _H42    76     1.08803   113.39250  -166.57371
   50    48 S   HC   _H43    77     1.09664   110.63475    72.17072
   51    48 S   HC   _H44    78     1.09644   112.17803   -45.99255
   52    44 S   CT   _C13    46     1.55156   118.63076    76.11815
   53    52 S   HC   _H32    47     1.09420   110.03338    70.59088
   54    46 S   OS   _O22    64     1.45796   107.81291    65.04666
   55    52 S   CT   _C10    48     1.54848   110.29251  -168.59407
   56    55 S   HC   _H28    49     1.09711   110.44776    47.47167
   57    55 S   HC   _H29    50     1.09929   107.33248   162.16367
   58    54 S   CO4  _C8_    65     1.36278   118.21379  -144.72761
   59    58 S   O    _O20    66     1.22292   126.43972    -1.70065
   60    52 S   CT   _C19    71     1.53513   114.01206   -47.25437
   61    60 S   HC   _H39    72     1.09452   111.62349   -56.87444
   62    60 S   HC   _H40    73     1.09616   110.77856  -176.56384
   63    60 S   HC   _H41    74     1.09354   111.27404    65.96580
   64    55 S   CT   _C14    51     1.52588   117.37286   -79.43617
   65    64 S   HC   _H33    52     1.10104   105.52697  -166.39396
   66    58 S   CT   _C18    67     1.49816   109.40779   178.68731
   67    66 S   HC   _H36    68     1.09298   109.81990   -59.85888
   68    66 S   HC   _H37    69     1.09375   109.37184  -178.84563
   69    66 S   HC   _H38    70     1.09287   109.80277    62.01711
   70    64 S   CT   _C11    53     1.52435   120.28703    72.31122
   71    70 S   HC   _H30    54     1.09954   106.02362    99.09875
   72    70 S   CM   _C4_    55     1.49344   100.18460  -148.94498
   73    72 S   CO4  _C5_    56     1.47488   109.96956    15.47112
   74    73 S   O    _O18    57     1.21731   127.07980   174.33164
   75    72 S   CM   _C7_    59     1.33611   128.11840  -162.90472
   76    75 S   HC   _H24    60     1.08526   120.77093    -0.76079
   77    75 S   HC   _H25    61     1.08510   121.80038   179.14522
   78    64 S   OS   _O21    58     1.43863   110.47786   -53.52002
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  18  19   6  19   7   6
   2   1   1  12   8  10  13   6   5   6   4   4   2   1   1   8
   5   3   2   1   1   8   4   6   5   2   3   1   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    55    46    60    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    70    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    64    70    71    72    46    47    54    58    60    48    49    50    51  
   45    52    53    55    56    57    64    70    46    47    54    60    61    62    63    48    49    50    51  
   52    53    55    46    60    48  
   47    54    58    59    66    48    49    50    51    52    55    64    65    70    71    72    73    75    78  
   54    58    48    64    70    71    72  
   49    50    51    52    54    70  
   50    51  
   51  
    0  
   53    55    56    57    64    65    70    78    60    61    62    63  
   55    56    57    64    60    61    62    63  
   58    59    66    67    68    69    64    70    71    72  
   56    57    64    65    70    71    72    73    78    60    61    62    63  
   57    64    65    70    78    60  
   64    65    70    78    60  
   59    66    67    68    69    70  
   66    67    68    69  
   61    62    63    64  
   62    63  
   63  
    0  
   65    70    71    72    73    74    78    75  
   70    71    72    73    78  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    78    75    76    77  
   72    73    78    75  
   73    74    78    75    76    77  
   74    78    75    76    77  
   78    75  
   76    77    78  
   77  
    0  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    60   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    78   320.000  1.410
   70    71   340.000  1.090
   70    72   317.000  1.510
   70    46   268.000  1.529
   72    73   320.000  1.462
   72    75   549.000  1.340
   73    74   570.000  1.229
   73    78   214.000  1.327
   75    76   340.000  1.080
   75    77   340.000  1.080
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    70    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    55    58.35000  112.70000
   44    52    60    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    70    58.35000  112.70000
   55    64    78    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    70.00000  112.02700
   64    70    46    58.35000  112.70000
   64    78    73    83.00000  116.90000
   70    64    65    37.50000  110.70000
   70    72    73    65.00000  116.34900
   70    72    75    70.00000  124.00000
   70    46    47    37.50000  110.70000
   70    46    54    50.00000  109.50000
   72    70    71    35.00000  109.50000
   72    73    74    80.00000  123.72100
   72    73    78    90.00000  111.29400
   72    75    76    35.00000  120.00000
   72    75    77    35.00000  120.00000
   78    64    65    35.00000  109.50000
   78    64    70    50.00000  109.50000
   78    73    74    83.00000  123.40000
   75    72    73    65.00000  118.96000
   77    75    76    35.00000  117.00000
   46    43    44    58.35000  112.70000
   46    70    71    37.50000  110.70000
   46    70    72    70.00000  112.02700
   46    54    58    83.00000  116.90000
   54    46    47    35.00000  109.50000
   54    58    59    83.00000  123.40000
   54    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    55    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    55   0.56750  1.0 1.0
   33    44    52    55  -0.07550 -1.0 2.0
   33    44    52    55   0.20000  1.0 3.0
   33    44    52    60   0.56750  1.0 1.0
   33    44    52    60  -0.07550 -1.0 2.0
   33    44    52    60   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  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    70  -0.95700  1.0 1.0
   41    43    46    70  -0.18200 -1.0 2.0
   41    43    46    70   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    55   0.56750  1.0 1.0
   43    44    52    55  -0.07550 -1.0 2.0
   43    44    52    55   0.20000  1.0 3.0
   43    44    52    60   0.56750  1.0 1.0
   43    44    52    60  -0.07550 -1.0 2.0
   43    44    52    60   0.20000  1.0 3.0
   43    46    54    58  -0.25900  1.0 1.0
   43    46    54    58  -0.47000 -1.0 2.0
   43    46    54    58   0.11750  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    70   0.56750  1.0 1.0
   44    43    46    70  -0.07550 -1.0 2.0
   44    43    46    70   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.62750  1.0 1.0
   44    43    46    54  -0.30950 -1.0 2.0
   44    43    46    54   0.27300  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   0.15000  1.0 3.0
   44    52    55    57   0.15000  1.0 3.0
   44    52    55    64   0.56750  1.0 1.0
   44    52    55    64  -0.07550 -1.0 2.0
   44    52    55    64   0.20000  1.0 3.0
   44    52    60    61   0.15000  1.0 3.0
   44    52    60    62   0.15000  1.0 3.0
   44    52    60    63   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   45    44    52    60   0.15000  1.0 3.0
   52    55    64    65   0.15000  1.0 3.0
   52    55    64    70   0.56750  1.0 1.0
   52    55    64    70  -0.07550 -1.0 2.0
   52    55    64    70   0.20000  1.0 3.0
   52    55    64    78   0.62750  1.0 1.0
   52    55    64    78  -0.30950 -1.0 2.0
   52    55    64    78   0.27300  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    64   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   55    52    60    61   0.15000  1.0 3.0
   55    52    60    62   0.15000  1.0 3.0
   55    52    60    63   0.15000  1.0 3.0
   55    64    70    71   0.15000  1.0 3.0
   55    64    70    72   0.34400  1.0 1.0
   55    64    70    72   0.09450 -1.0 2.0
   55    64    70    72   0.11100  1.0 3.0
   55    64    70    46   0.56750  1.0 1.0
   55    64    70    46  -0.07550 -1.0 2.0
   55    64    70    46   0.20000  1.0 3.0
   55    64    78    73  -0.25900  1.0 1.0
   55    64    78    73  -0.47000 -1.0 2.0
   55    64    78    73   0.11750  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    70   0.15000  1.0 3.0
   56    55    64    78   0.23400  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.15000  1.0 3.0
   57    55    64    78   0.23400  1.0 3.0
   64    70   -72    73   0.09700  1.0 1.0
   64    70   -72    73   0.15600 -1.0 2.0
   64    70   -72    73  -0.50800  1.0 3.0
   64    70    72    75   0.09850  1.0 1.0
   64    70    72    75   0.15250 -1.0 2.0
   64    70    72    75  -0.50650  1.0 3.0
   64    70    46    43   0.56750  1.0 1.0
   64    70    46    43  -0.07550 -1.0 2.0
   64    70    46    43   0.20000  1.0 3.0
   64    70    46    47   0.15000  1.0 3.0
   64    70    46    54   0.62750  1.0 1.0
   64    70    46    54  -0.30950 -1.0 2.0
   64    70    46    54   0.27300  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    46   0.15000  1.0 3.0
   65    64    78    73   0.08050  1.0 3.0
   70    64   -78    73  -0.25900  1.0 1.0
   70    64   -78    73  -0.47000 -1.0 2.0
   70    64   -78    73   0.11750  1.0 3.0
   70    72    73    74  -0.64400  1.0 1.0
   70    72    73    74   0.26850 -1.0 2.0
   70    72   -73    78  -0.15000  1.0 1.0
   70    72   -73    78   0.89550 -1.0 2.0
   70    72   -73    78  -0.06900  1.0 3.0
   70    72    75    76   7.00000 -1.0 2.0
   70    72    75    77   7.00000 -1.0 2.0
   70    46    54    58  -0.25900  1.0 1.0
   70    46    54    58  -0.47000 -1.0 2.0
   70    46    54    58   0.11750  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    75   0.00000  1.0 1.0
   71    70    46    43   0.15000  1.0 3.0
   71    70    46    47   0.15000  1.0 3.0
   71    70    46    54   0.23400  1.0 3.0
   72    70    46    43   0.34400  1.0 1.0
   72    70    46    43   0.09450 -1.0 2.0
   72    70    46    43   0.11100  1.0 3.0
   72    70    46    47   0.15000  1.0 3.0
   72    70    46    54   0.61850  1.0 1.0
   72    70    46    54  -0.22750 -1.0 2.0
   72    70    46    54   0.15300  1.0 3.0
   72    73   -78    64   2.00000 -1.0 2.0
   73    72    75    76   7.00000 -1.0 2.0
   73    72    75    77   7.00000 -1.0 2.0
   74    73    78    64   3.00000 -1.0 2.0
   78    64    70    71   0.23400  1.0 3.0
   78    64   -70    72   0.61850  1.0 1.0
   78    64   -70    72  -0.22750 -1.0 2.0
   78    64   -70    72   0.15300  1.0 3.0
   78    64    70    46   0.62750  1.0 1.0
   78    64    70    46  -0.30950 -1.0 2.0
   78    64    70    46   0.27300  1.0 3.0
   75    72    73    74   1.00000 -1.0 2.0
   75    72    73    78  -0.56150  1.0 1.0
   75    72    73    78   2.19150 -1.0 2.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    70    72    73   0.09700  1.0 1.0
   46    70    72    73   0.15600 -1.0 2.0
   46    70    72    73  -0.50800  1.0 3.0
   46    70    72    75   0.09850  1.0 1.0
   46    70    72    75   0.15250 -1.0 2.0
   46    70    72    75  -0.50650  1.0 3.0
   46    54    58    59   3.00000 -1.0 2.0
   46    54    58    66   1.63150  1.0 1.0
   46    54    58    66   2.92000 -1.0 2.0
   47    46    54    58   0.08050  1.0 3.0
   54    58    66    67   0.00000  1.0 1.0
   54    58    66    68   0.00000  1.0 1.0
   54    58    66    69   0.00000  1.0 1.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    68   0.00000  1.0 1.0
   59    58    66    69   0.00000  1.0 1.0
   60    52    55    56   0.15000  1.0 3.0
   60    52    55    57   0.15000  1.0 3.0
   60    52    55    64   0.56750  1.0 1.0
   60    52    55    64  -0.07550 -1.0 2.0
   60    52    55    64   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    70   0.56750  1.0 1.0
   48    43    46    70  -0.07550 -1.0 2.0
   48    43    46    70   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.62750  1.0 1.0
   48    43    46    54  -0.30950 -1.0 2.0
   48    43    46    54   0.27300  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   70    73    72    75   1.10000 -1.0 2.0
   72    78    73    74  10.50000 -1.0 2.0
   76    77    75    72   1.10000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
END
