* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    148    245     442
    1     0 S   NP   _N1_     1    28.20595    95.07491   -23.22956
    2     1 S   H    _HN1     2     1.02836    29.82712   161.10595
    3     1 S   H    _H1_     3     1.02777   105.22768   -99.37871
    4     1 S   H    _H2_     4     1.02957    80.22726     7.12034
    5     1 S   CT   _CA1     5     1.50140   134.30348   116.14030
    6     5 S   HC   _HA1     6     1.09575   105.20088    81.25585
    7     5 S   CO3  _C1_     7     1.53778   112.33772   -38.91149
    8     7 S   O2Z  _O11     8     1.26368   114.99061   -44.08516
    9     7 S   O2Z  _O12     9     1.26232   114.92971   134.92131
   10     5 S   CT   _CB1    10     1.53088   107.41398  -160.84925
   11    10 S   HC   HB11    11     1.09829   109.31200   -50.36397
   12    10 S   HC   HB12    12     1.09815   110.44165    66.18643
   13    10 S   CT   _CG1    13     1.53028   112.68520  -171.41693
   14    13 S   HC   HG11    14     1.09592   110.51591   -64.95935
   15    13 S   HC   HG12    15     1.09659   109.89406    54.24755
   16    13 S   C    _CD1    16     1.51851   112.27140   174.60864
   17    16 S   O    _OE1    17     1.22764   123.25612     1.88710
   18    16 S   N    _N2_    18     1.38539   111.74895  -178.08859
   19    18 S   H    _HN2    19     1.01560   119.12684     3.79447
   20    18 S   CT1  _CA2    20     1.45811   122.84815   177.96106
   21    20 S   HC   _HA2    21     1.09758   108.80199    25.95894
   22    20 S   C    _C2_    22     1.52916   107.31453   -90.88648
   23    22 S   O    _O2_    23     1.22971   123.11426   -27.17511
   24    20 S   CT   _CB2    32     1.53163   112.19451   149.11898
   25    24 S   HC   HB21    33     1.09533   110.20912    51.02449
   26    24 S   HC   HB22    34     1.09340   109.68177   169.72582
   27    22 S   N    _N3_    24     1.38557   112.44120   155.29080
   28    27 S   H    _HN3    25     1.01676   120.27593    -0.69154
   29    24 S   S    _SG2    35     1.82910   110.53063   -69.72584
   30    27 S   CT   _CA3    26     1.45313   122.55462   178.59166
   31    30 S   HC   HA31    27     1.09566   107.52399   -62.29693
   32    30 S   HC   HA32    28     1.09570   107.87952    54.02137
   33    29 S   CT   _C12    36     1.85701   100.77157  -172.88156
   34    33 S   OM   _O34    37     1.32175   109.89079  -175.64643
   35    30 S   CO3  _C3_    29     1.52913   114.37052   176.03721
   36    35 S   O2Z  _O31    30     1.26330   116.13551    -0.14804
   37    35 S   O2Z  _O32    31     1.26462   114.37458   179.95154
   38    33 S   CO4  _C13    38     1.53000   106.15921   -64.39217
   39    38 S   O    _O33    39     1.23329   123.49721   -55.16005
   40    33 S   CM   _C11    52     1.53367   111.13655    63.36293
   41    38 S   CA   _C7_    40     1.47248   118.03749   123.14308
   42    40 S   CT   _C14    53     1.57067   114.42344    59.83690
   43    42 S   HC   _H7_    54     1.09867   107.71205     0.74441
   44    41 S   CA   _C6_    41     1.40948   117.71121  -179.29003
   45    44 S   HA   _H5_    42     1.08745   121.02899    -0.72145
   46    42 S   CT   _C15    55     1.54125   113.58478   116.11771
   47    46 S   HC   _H8_    56     1.09431   111.81391    64.41085
   48    46 S   HC   _H9_    57     1.09679   109.82575   -53.77215
   49    44 S   CA   _C5_    43     1.38992   120.73092   179.18004
   50    49 S   HA   _H4_    44     1.08545   120.31152  -179.97202
   51    46 S   CT   _C16    58     1.52940   110.91245  -174.15863
   52    51 S   HC   _H10    59     1.09843   108.45525    62.52123
   53    51 S   HC   _H11    60     1.09533   109.07476   177.27703
   54    49 S   CA   _C4_    45     1.38463   119.27061    -0.05234
   55    54 S   HA   _H3_    46     1.08596   120.26793  -179.94766
   56    51 S   CT   _C17    61     1.54436   112.83965   -57.73777
   57    56 S   HC   _H12    62     1.10044   107.00683   167.97228
   58    54 S   CA   _C9_    47     1.39859   119.81913     0.09487
   59    58 S   HA   _H6_    48     1.08889   116.50366   179.94766
   60    56 S   CA   _C20    63     1.52782   112.62675   -77.96172
   61    56 S   CT   _C18    74     1.54402   109.46475    54.15541
   62    61 S   HC   _H13    75     1.09638   111.07729  -176.14944
   63    61 S   HC   _H14    76     1.09899   107.82667    68.60787
   64    41 S   CA   _C8_    49     1.39838   120.72243    -0.04423
   65    60 S   CA   _C21    64     1.40243   123.78899   122.93812
   66    65 S   HA   _H17    65     1.08502   121.58558    -0.20936
   67    42 S   CT   _C19    77     1.54139   114.12799  -115.03452
   68    67 S   HC   _H15    78     1.09603   110.00545    57.33181
   69    67 S   HC   _H16    79     1.09147   110.95828   -59.39456
   70    64 S   CMA  _C10    50     1.52087   124.12323     1.15454
   71    70 S   OM   _O35    51     1.27012   117.74819   179.02743
   72    65 S   CA   _C22    66     1.39936   121.24241   179.40554
   73    72 S   HA   _H18    67     1.08695   119.16772   179.50228
   74    72 S   CA   _C23    68     1.39115   119.95646    -0.72739
   75    74 S   Cl   Cl1_    69     1.72118   119.93269  -179.91844
   76    74 S   CA   _C24    70     1.39026   120.14264    -0.40542
   77    76 S   HA   _H19    71     1.08650   120.99432  -179.31472
   78    60 S   CA   _C25    72     1.40897   118.69416   -59.41864
   79    78 S   HA   _H20    73     1.08792   120.21481     0.10835
  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   8   5   4   3
  13   6   2   1   1  10   4  15  10  17   9   8   4  13   6   5
   6   3  11   5   4   5   3  14   7   4   2  13   7   4   3   2
   8   4   3   1   1   1   1   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    70    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    44    64    70    71    40    42    43    46    67  
   38    39    41    70    40    42  
   36    37  
   37  
    0  
   39    41    44    45    49    58    64    70    40    42  
   41    44    64    40  
   42    43    46    47    48    51    61    67    68    69    41    58    64    70    71  
   44    45    49    50    54    58    59    64    70    71  
   43    46    47    48    51    52    53    56    61    62    63    67    68    69    64    70    71  
   46    47    48    51    61    67    68    69    70  
   45    49    50    54    55    58    64    70  
   49    50    54    64  
   47    48    51    52    53    56    57    60    61    67    68    69    70  
   48    51    52    53    56    67  
   51    52    53    56    67  
   50    54    55    58    59    64  
   54    55    58  
   52    53    56    57    60    65    78    61    62    63    67  
   53    56    57    60    61  
   56    57    60    61  
   55    58    59    64    70  
   58    59    64  
   57    60    65    66    72    76    78    79    61    62    63    67    68    69  
   60    65    78    61    62    63    67  
   59    64    70    71  
   64    70  
   65    66    72    73    74    76    77    78    79    61    62    63    67  
   62    63    67    68    69    65    78  
   63    67    68    69  
   67    68    69  
   70    71  
   66    72    73    74    75    76    78    79  
   72    73    74    78  
   68    69    70  
   69  
    0  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   71   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   570.000  1.307
   33    38   317.000  1.522
   33    40   317.000  1.510
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    44   469.000  1.400
   41    64   469.000  1.400
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    70   320.000  1.460
   70    71   745.000  1.250
   70    40   465.000  1.376
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    67   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    60   317.000  1.510
   56    61   268.000  1.529
   60    65   469.000  1.400
   60    78   469.000  1.400
   65    66   367.000  1.080
   65    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   300.000  1.725
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    69   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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    40    70    70.00000  124.00000
   33    40    42    65.00000  117.92700
   38    33    34    90.00000  108.74100
   38    41    44    60.00000  119.52600
   38    41    64    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    44    45    35.00000  120.00000
   41    44    49    63.00000  120.00000
   41    64    58    63.00000  120.00000
   41    64    70    60.00000  120.93500
   44    49    50    35.00000  120.00000
   44    49    54    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    58    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    64    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    64    70    60.00000  120.93500
   64    41    44    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    70    71    85.00000  114.86500
   64    70    40    60.00000  123.20500
   70    40    42    70.00000  124.00000
   40    33    34    85.00000  110.90400
   40    33    38    70.00000  109.06800
   40    70    71    65.00000  137.10300
   40    42    43    35.00000  109.50000
   40    42    46    70.00000  112.02700
   40    42    67    70.00000  112.02700
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    51    58.35000  112.70000
   42    67    61    58.35000  112.70000
   42    67    68    37.50000  110.70000
   42    67    69    37.50000  110.70000
   46    42    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    60    70.00000  112.17500
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    65    70.00000  120.00000
   56    60    78    70.00000  120.00000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    67    58.35000  112.70000
   60    56    57    35.00000  109.50000
   60    65    66    35.00000  120.00000
   60    65    72    63.00000  120.00000
   60    78    76    63.00000  120.00000
   60    78    79    35.00000  120.00000
   65    72    73    35.00000  120.00000
   65    72    74    63.00000  120.00000
   72    65    66    35.00000  120.00000
   72    74    75    75.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    75.00000  120.00000
   76    78    79    35.00000  120.00000
   78    60    65    63.00000  120.00000
   78    76    77    35.00000  120.00000
   61    56    57    37.50000  110.70000
   61    56    60    70.00000  112.17500
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   63    61    62    33.00000  107.80000
   67    42    43    37.50000  110.70000
   67    42    46    58.35000  112.70000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   69    67    68    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    40    70   0.42700  1.0 1.0
   29    33    40    70  -0.70350 -1.0 2.0
   29    33    40    70  -0.43150  1.0 3.0
   29    33    40    42   0.30250  1.0 1.0
   29    33    40    42  -0.14950 -1.0 2.0
   29    33    40    42   0.36900  1.0 3.0
   33    38    41    44   2.26350  1.0 1.0
   33    38    41    44   0.76750 -1.0 2.0
   33    38    41    44   0.22500  1.0 3.0
   33    38    41    64   2.26350  1.0 1.0
   33    38    41    64   0.76750 -1.0 2.0
   33    38    41    64   0.22500  1.0 3.0
   33    40    42    43   0.34800  1.0 3.0
   33    40    42    46   0.46850  1.0 1.0
   33    40    42    46   0.08550 -1.0 2.0
   33    40    42    46   0.09800  1.0 3.0
   33    40    42    67   0.46850  1.0 1.0
   33    40    42    67   0.08550 -1.0 2.0
   33    40    42    67   0.09800  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    41   0.65300  1.0 1.0
   34    33    38    41  -0.03850 -1.0 2.0
   34    33    38    41   0.33900  1.0 3.0
   34    33    40    70   0.39000  1.0 1.0
   34    33    40    70  -0.05800 -1.0 2.0
   34    33    40    70  -0.55150  1.0 3.0
   34    33    40    42   0.09700  1.0 1.0
   34    33    40    42   0.15600 -1.0 2.0
   34    33    40    42  -0.50800  1.0 3.0
   38    33    40    70  -0.51250  1.0 1.0
   38    33    40    70  -0.88800 -1.0 2.0
   38    33    40    70   0.08850  1.0 3.0
   38    33    40    42   0.17250  1.0 1.0
   38    33    40    42  -0.04100 -1.0 2.0
   38    33    40    42  -0.33850  1.0 3.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    49   3.62500 -1.0 2.0
   38    41    64    58   3.62500 -1.0 2.0
   38    41   -64    70   3.62500 -1.0 2.0
   39    38    41    44   1.05000 -1.0 2.0
   39    38    41    64   1.05000 -1.0 2.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    54   3.62500 -1.0 2.0
   41    64    70    71  -0.01750  1.0 1.0
   41    64    70    71  -0.32000 -1.0 2.0
   41    64    70    71   0.00600  1.0 3.0
   41    64    70    40   0.15800  1.0 1.0
   41    64    70    40   1.85350 -1.0 2.0
   41    64    70    40  -0.48700  1.0 3.0
   44    41    64    58   3.62500 -1.0 2.0
   44    41    64    70   3.62500 -1.0 2.0
   44    49    54    55   3.62500 -1.0 2.0
   44    49   -54    58   3.62500 -1.0 2.0
   45    44    49    50   3.62500 -1.0 2.0
   45    44    49    54   3.62500 -1.0 2.0
   49    54    58    59   3.62500 -1.0 2.0
   49    54    58    64   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    58   3.62500 -1.0 2.0
   54    58   -64    41   3.62500 -1.0 2.0
   54    58    64    70   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    64   3.62500 -1.0 2.0
   58    64    70    71  -0.01750  1.0 1.0
   58    64    70    71  -0.32000 -1.0 2.0
   58    64    70    71   0.00600  1.0 3.0
   58    64    70    40   0.15800  1.0 1.0
   58    64    70    40   1.85350 -1.0 2.0
   58    64    70    40  -0.48700  1.0 3.0
   59    58    64    41   3.62500 -1.0 2.0
   59    58    64    70   3.62500 -1.0 2.0
   64    41    44    45   3.62500 -1.0 2.0
   64    41   -44    49   3.62500 -1.0 2.0
   64    70   -40    33   7.00000 -1.0 2.0
   64    70    40    42   7.00000 -1.0 2.0
   70    40    42    43   0.00000  1.0 1.0
   70    40    42    46   0.09850  1.0 1.0
   70    40    42    46   0.15250 -1.0 2.0
   70    40    42    46  -0.50650  1.0 3.0
   70    40    42    67   0.09850  1.0 1.0
   70    40    42    67   0.15250 -1.0 2.0
   70    40    42    67  -0.50650  1.0 3.0
   71    70    40    33   7.00000 -1.0 2.0
   71    70    40    42   7.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    41   0.65300  1.0 1.0
   40    33   -38    41  -0.03850 -1.0 2.0
   40    33   -38    41   0.33900  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    51   0.34400  1.0 1.0
   40    42    46    51   0.09450 -1.0 2.0
   40    42    46    51   0.11100  1.0 3.0
   40    42    67    61   0.34400  1.0 1.0
   40    42    67    61   0.09450 -1.0 2.0
   40    42    67    61   0.11100  1.0 3.0
   40    42    67    68   0.15000  1.0 3.0
   40    42    67    69   0.15000  1.0 3.0
   42    46    51    52   0.15000  1.0 3.0
   42    46    51    53   0.15000  1.0 3.0
   42    46    51    56   0.56750  1.0 1.0
   42    46    51    56  -0.07550 -1.0 2.0
   42    46    51    56   0.20000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    51   0.15000  1.0 3.0
   43    42    67    61   0.15000  1.0 3.0
   43    42    67    68   0.15000  1.0 3.0
   43    42    67    69   0.15000  1.0 3.0
   46    42    67    61   0.56750  1.0 1.0
   46    42    67    61  -0.07550 -1.0 2.0
   46    42    67    61   0.20000  1.0 3.0
   46    42    67    68   0.15000  1.0 3.0
   46    42    67    69   0.15000  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    60  -0.03700  1.0 1.0
   46    51    56    60   0.37200 -1.0 2.0
   46    51    56    60  -0.47300  1.0 3.0
   46    51   -56    61   0.56750  1.0 1.0
   46    51   -56    61  -0.07550 -1.0 2.0
   46    51   -56    61   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  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    46    51    56   0.15000  1.0 3.0
   51    56    60    65   0.04150 -1.0 2.0
   51    56    60    78   0.04150 -1.0 2.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    67   0.56750  1.0 1.0
   51    56    61    67  -0.07550 -1.0 2.0
   51    56    61    67   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    60   0.43200  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    60   0.43200  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    60    65    66   3.62500 -1.0 2.0
   56    60    65    72   3.62500 -1.0 2.0
   56    60    78    76   3.62500 -1.0 2.0
   56    60    78    79   3.62500 -1.0 2.0
   56    61   -67    42   0.56750  1.0 1.0
   56    61   -67    42  -0.07550 -1.0 2.0
   56    61   -67    42   0.20000  1.0 3.0
   56    61    67    68   0.15000  1.0 3.0
   56    61    67    69   0.15000  1.0 3.0
   57    56    60    65   0.00000  1.0 1.0
   57    56    60    78   0.00000  1.0 1.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    67   0.15000  1.0 3.0
   60    56    61    62   0.43200  1.0 3.0
   60    56    61    63   0.43200  1.0 3.0
   60    56    61    67  -0.03700  1.0 1.0
   60    56    61    67   0.37200 -1.0 2.0
   60    56    61    67  -0.47300  1.0 3.0
   60    65    72    73   3.62500 -1.0 2.0
   60    65    72    74   3.62500 -1.0 2.0
   65    60    78    76   3.62500 -1.0 2.0
   65    60    78    79   3.62500 -1.0 2.0
   65    72    74    75   3.62500 -1.0 2.0
   65    72   -74    76   3.62500 -1.0 2.0
   66    65    72    73   3.62500 -1.0 2.0
   66    65    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76   -78    60   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   77    76    78    60   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    60    65    66   3.62500 -1.0 2.0
   78    60   -65    72   3.62500 -1.0 2.0
   61    56    60    65   0.04150 -1.0 2.0
   61    56    60    78   0.04150 -1.0 2.0
   62    61    67    42   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   63    61    67    42   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    69   0.15000  1.0 3.0
   67    42    46    47   0.15000  1.0 3.0
   67    42    46    48   0.15000  1.0 3.0
   67    42   -46    51   0.56750  1.0 1.0
   67    42   -46    51  -0.07550 -1.0 2.0
   67    42   -46    51   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
   33    41    38    39  10.50000 -1.0 2.0
   44    64    41    38   4.00000 -1.0 2.0
   49    45    44    41   1.10000 -1.0 2.0
   54    50    49    44   1.10000 -1.0 2.0
   58    55    54    49   1.10000 -1.0 2.0
   64    59    58    54   1.10000 -1.0 2.0
   58    70    64    41   4.00000 -1.0 2.0
   64    71    70    40   1.10000 -1.0 2.0
   33    42    40    70   1.10000 -1.0 2.0
   65    78    60    56   4.00000 -1.0 2.0
   72    66    65    60   1.10000 -1.0 2.0
   74    73    72    65   1.10000 -1.0 2.0
   76    75    74    72   4.00000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   76    79    78    60   1.10000 -1.0 2.0
END
