* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    151    237     454
    1     0 S   NP   _N1_     1    30.76228    98.09281   -22.09540
    2     1 S   H    _HN1     2     1.03416   131.17708   -96.58354
    3     1 S   H    _H1_     3     1.02735    27.85790   -56.56580
    4     1 S   H    _H2_     4     1.02906    84.21606   155.78601
    5     1 S   CT   _CA1     5     1.50335   108.01599    46.49861
    6     5 S   HC   _HA1     6     1.09594   104.55911   155.20406
    7     5 S   CO3  _C1_     7     1.54498   110.84827    39.26775
    8     7 S   O2Z  _O11     8     1.26050   116.67778  -122.93010
    9     7 S   O2Z  _O12     9     1.26598   113.88027    55.83583
   10     5 S   CT   _CB1    10     1.53398   107.11658   -87.85018
   11    10 S   HC   HB11    11     1.09787   110.31041   -35.24478
   12    10 S   HC   HB12    12     1.09740   109.43041    81.04409
   13    10 S   CT   _CG1    13     1.53311   112.77860  -157.93646
   14    13 S   HC   HG11    14     1.09668   109.59656  -150.79028
   15    13 S   HC   HG12    15     1.09417   112.15696   -32.20821
   16    13 S   C    _CD1    16     1.51553   110.30628    92.13932
   17    16 S   O    _OE1    17     1.22977   121.28091    75.95189
   18    16 S   N    _N2_    18     1.38173   113.79808  -101.83041
   19    18 S   H    _HN2    19     1.01811   119.54586    -2.66117
   20    18 S   CT1  _CA2    20     1.46303   123.00527   175.92629
   21    20 S   HC   _HA2    21     1.09756   109.53462     4.65770
   22    20 S   C    _C2_    22     1.53358   108.06142  -110.63446
   23    22 S   O    _O2_    23     1.23034   122.59631  -137.16416
   24    20 S   CT   _CB2    32     1.52923   111.62041   126.64784
   25    24 S   HC   HB21    33     1.09412   110.11116    54.36657
   26    24 S   HC   HB22    34     1.09517   110.95725   172.86920
   27    22 S   N    _N3_    24     1.38526   113.42953    50.05133
   28    27 S   H    _HN3    25     1.01572   119.63546    -3.12123
   29    24 S   S    _SG2    35     1.82400   111.68149   -67.61219
   30    27 S   CT   _CA3    26     1.45316   122.66007   176.40621
   31    30 S   HC   HA31    27     1.09567   107.58836   -59.74712
   32    30 S   HC   HA32    28     1.09561   107.78670    56.54234
   33    29 S   OS   _O20    36     1.66797    98.28111   152.25368
   34    30 S   CO3  _C3_    29     1.52795   114.43808   178.31809
   35    34 S   O2Z  _O31    30     1.26431   116.12116    -6.28016
   36    34 S   O2Z  _O32    31     1.26379   114.57137   174.28073
   37    33 S   CT   _C15    37     1.45268   117.13367   -99.58950
   38    37 S   CT   _C8_    38     1.54174   104.41541   157.60576
   39    38 S   HC   _H28    39     1.09279   110.40366   151.20409
   40    38 S   HC   _H29    40     1.09900   108.57175    36.43729
   41    37 S   OS   _O19    65     1.42340   112.07453    34.37628
   42    37 S   CT   _C18    74     1.53550   107.11118   -85.93757
   43    42 S   HC   _H41    75     1.09583   110.79154    67.19372
   44    42 S   HC   _H42    76     1.09537   111.24421   -52.10613
   45    42 S   HC   _H43    77     1.09461   111.83168  -174.01974
   46    38 S   CT   _C6_    41     1.53373   114.17221   -83.72162
   47    46 S   HC   _H24    42     1.09580   109.99529    40.33634
   48    46 S   HC   _H25    43     1.09664   107.95419   153.46452
   49    46 S   CT   _C11    44     1.55971   115.37596   -85.31890
   50    49 S   HC   _H32    45     1.10377   105.27593  -173.84996
   51    49 S   CT   _C12    46     1.56466   111.69980   -60.17370
   52    51 S   HC   _H33    47     1.09523   109.91970    63.13391
   53    51 S   CT   _C7_    48     1.52837   111.26078  -179.09865
   54    53 S   HC   _H26    49     1.09700   109.99240  -178.60170
   55    53 S   HC   _H27    50     1.09742   110.34875    63.88407
   56    51 S   CT   _C17    70     1.53406   112.83563   -56.53801
   57    56 S   HC   _H38    71     1.09507   111.25718   -53.65922
   58    56 S   HC   _H39    72     1.09568   110.84630  -173.70113
   59    56 S   HC   _H40    73     1.09382   111.53859    67.56410
   60    53 S   CT   _C5_    51     1.51836   110.97221   -58.22671
   61    60 S   HC   _H22    52     1.09540   107.49349  -178.19745
   62    60 S   HC   _H23    53     1.09640   109.97190   -62.33334
   63    60 S   CT   _C10    54     1.53696   111.06287    60.85500
   64    63 S   HC   _H31    55     1.10329   105.69968    62.27230
   65    63 S   CT   _C9_    56     1.54513   111.95037   178.08317
   66    65 S   HC   _H30    57     1.09719   108.71401  -170.78744
   67    65 S   CO4  _C4_    58     1.51231   112.29894    72.86931
   68    67 S   O    _O17    59     1.22802   123.12190  -142.13098
   69    65 S   CT   _C16    66     1.53173   113.10945   -53.64845
   70    69 S   HC   _H35    67     1.09496   112.09101    72.61827
   71    69 S   HC   _H36    68     1.09476   111.04498   -49.27366
   72    69 S   HC   _H37    69     1.09592   110.45668  -168.52578
   73    67 S   OS   _O18    60     1.35094   115.70613    44.45312
   74    73 S   CO   _C13    61     1.45166   123.70540   -35.21151
   75    74 S   HC   _H34    62     1.09492   103.63143   -86.76349
   76    49 S   CT   _C14    63     1.58217   113.83455    68.81364
   77    76 S   OM   _O16    64     1.33187   107.06277    68.45905
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  16  15   7   6  13   5   2   1   1  12   5   4
  19   8  15   9  13   6   5   5   2   1   1  11   5   4  14   7
  11   8   9   3   5   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    46    74    41    42    43    44    45  
   35    36  
   36  
    0  
   38    39    40    46    47    48    49    73    74    75    76    41    42    43    44    45  
   39    40    46    47    48    49    50    51    74    76    41    42    43    44    45  
   40    46    47    48    49    41    42  
   46    47    48    49    41    42  
   42    43    44    45    46    49    63    67    73    74    75    76    77  
   43    44    45    46    74  
   44    45  
   45  
    0  
   47    48    49    50    51    52    53    63    74    76    77    56  
   48    49    50    51    76  
   49    50    51    76  
   50    51    52    53    54    55    60    63    64    65    73    74    75    76    77    56    57    58    59  
   51    52    53    63    74    76    77    56  
   52    53    54    55    60    61    62    63    74    76    77    56    57    58    59  
   53    54    55    60    76    56    57    58    59  
   54    55    60    61    62    63    64    65    76    56    57    58    59  
   55    60    61    62    63    56  
   60    61    62    63    56  
   57    58    59    60    76  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    74    76    77    69  
   62    63    64    65    76  
   63    64    65    76  
   64    65    66    67    68    73    74    75    76    77    69    70    71    72  
   65    66    67    74    76    77    69  
   66    67    68    73    74    76    77    69    70    71    72  
   67    68    73    76    69    70    71    72  
   68    73    74    75    76    69    70    71    72  
   73    74    69  
   70    71    72    73    76  
   71    72  
   72  
    0  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550   0.047500   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   2.9000   0.1400  -0.415000   1.7660   1.5600   0.020110767  -0.896042159
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   76   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   655.000  1.490
   33    37   320.000  1.410
   37    38   268.000  1.529
   37    41   320.000  1.410
   37    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    76   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    76   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.522
   65    69   268.000  1.529
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    74   320.000  1.380
   74    75   340.000  1.090
   74    76   250.000  1.527
   74    41   320.000  1.380
   76    77   570.000  1.307
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    50.00000  109.50000
   33    37    41   110.00000  112.65000
   33    37    42    50.00000  109.50000
   37    38    39    37.50000  110.70000
   37    38    40    37.50000  110.70000
   37    38    46    58.35000  112.70000
   37    41    74    60.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    45    37.50000  110.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   38    46    49    58.35000  112.70000
   40    38    39    33.00000  107.80000
   46    38    39    37.50000  110.70000
   46    38    40    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    76    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    58.35000  112.70000
   49    51    56    58.35000  112.70000
   49    76    63    58.35000  112.70000
   49    76    74    75.00000  109.43000
   49    76    77    50.00000  109.50000
   51    49    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    60    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    76    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    63.00000  111.10000
   63    65    69    58.35000  112.70000
   63    76    74    75.00000  109.43000
   63    76    77    50.00000  109.50000
   65    63    64    37.50000  110.70000
   65    67    68    80.00000  120.40000
   65    67    73    81.00000  111.40000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    65    66    35.00000  109.50000
   67    73    74    95.00000  111.08000
   73    67    68    83.00000  123.40000
   73    74    75    35.00000  109.50000
   73    74    76    90.00000  108.56700
   73    74    41    92.60000  111.55000
   74    76    77    90.00000  109.38000
   76    49    50    37.50000  110.70000
   76    49    51    58.35000  112.70000
   76    63    64    37.50000  110.70000
   76    63    65    58.35000  112.70000
   76    74    75    45.00000  112.01100
   41    37    38    50.00000  109.50000
   41    74    75    35.00000  109.50000
   41    74    76    90.00000  108.56700
   69    65    66    37.50000  110.70000
   69    65    67    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    37    38    58.35000  112.70000
   42    37    41    50.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   29    33    37    42   0.37500  1.0 3.0
   33    37    38    39   0.23400  1.0 3.0
   33    37    38    40   0.23400  1.0 3.0
   33    37    38    46   0.62750  1.0 1.0
   33    37    38    46  -0.30950 -1.0 2.0
   33    37    38    46   0.27300  1.0 3.0
   33    37    41    74  -0.11650  1.0 1.0
   33    37    41    74  -1.14850 -1.0 2.0
   33    37    41    74   0.58850  1.0 3.0
   33    37    42    43   0.23400  1.0 3.0
   33    37    42    44   0.23400  1.0 3.0
   33    37    42    45   0.23400  1.0 3.0
   37    38    46    47   0.15000  1.0 3.0
   37    38    46    48   0.15000  1.0 3.0
   37    38    46    49   0.56750  1.0 1.0
   37    38    46    49  -0.07550 -1.0 2.0
   37    38    46    49   0.20000  1.0 3.0
   38    37    41    74   0.06250  1.0 1.0
   38    37    41    74  -0.01100 -1.0 2.0
   38    37    41    74   0.28050  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    45   0.15000  1.0 3.0
   38    46    49    50   0.15000  1.0 3.0
   38    46    49    51   0.56750  1.0 1.0
   38    46    49    51  -0.07550 -1.0 2.0
   38    46    49    51   0.20000  1.0 3.0
   38    46    49    76   0.56750  1.0 1.0
   38    46    49    76  -0.07550 -1.0 2.0
   38    46    49    76   0.20000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   39    38    46    49   0.15000  1.0 3.0
   40    38    46    47   0.15000  1.0 3.0
   40    38    46    48   0.15000  1.0 3.0
   40    38    46    49   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53   0.56750  1.0 1.0
   46    49    51    53  -0.07550 -1.0 2.0
   46    49    51    53   0.20000  1.0 3.0
   46    49    51    56   0.56750  1.0 1.0
   46    49    51    56  -0.07550 -1.0 2.0
   46    49    51    56   0.20000  1.0 3.0
   46    49    76    63   0.56750  1.0 1.0
   46    49    76    63  -0.07550 -1.0 2.0
   46    49    76    63   0.20000  1.0 3.0
   46    49    76    74   3.97050  1.0 1.0
   46    49    76    77   0.62750  1.0 1.0
   46    49    76    77  -0.30950 -1.0 2.0
   46    49    76    77   0.27300  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    76   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    76   0.15000  1.0 3.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    55   0.15000  1.0 3.0
   49    51    53    60   0.56750  1.0 1.0
   49    51    53    60  -0.07550 -1.0 2.0
   49    51    53    60   0.20000  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    58   0.15000  1.0 3.0
   49    51    56    59   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    76    63   0.15000  1.0 3.0
   50    49    76    74   0.15000  1.0 3.0
   50    49    76    77   0.23400  1.0 3.0
   51    49    76    63   0.56750  1.0 1.0
   51    49    76    63  -0.07550 -1.0 2.0
   51    49    76    63   0.20000  1.0 3.0
   51    49    76    74   3.97050  1.0 1.0
   51    49    76    77   0.62750  1.0 1.0
   51    49    76    77  -0.30950 -1.0 2.0
   51    49    76    77   0.27300  1.0 3.0
   51    53    60    61   0.15000  1.0 3.0
   51    53    60    62   0.15000  1.0 3.0
   51    53   -60    63   0.56750  1.0 1.0
   51    53   -60    63  -0.07550 -1.0 2.0
   51    53   -60    63   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    60   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60    63    65   0.56750  1.0 1.0
   53    60    63    65  -0.07550 -1.0 2.0
   53    60    63    65   0.20000  1.0 3.0
   53    60    63    76   0.56750  1.0 1.0
   53    60    63    76  -0.07550 -1.0 2.0
   53    60    63    76   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67  -0.95700  1.0 1.0
   60    63    65    67  -0.18200 -1.0 2.0
   60    63    65    67   0.29450  1.0 3.0
   60    63    65    69   0.56750  1.0 1.0
   60    63    65    69  -0.07550 -1.0 2.0
   60    63    65    69   0.20000  1.0 3.0
   60    63   -76    49   0.56750  1.0 1.0
   60    63   -76    49  -0.07550 -1.0 2.0
   60    63   -76    49   0.20000  1.0 3.0
   60    63    76    74   3.97050  1.0 1.0
   60    63    76    77   0.62750  1.0 1.0
   60    63    76    77  -0.30950 -1.0 2.0
   60    63    76    77   0.27300  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    76   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    76   0.15000  1.0 3.0
   63    65    67    68   0.30150 -1.0 2.0
   63    65    67    73   0.36750  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65    69    71   0.15000  1.0 3.0
   63    65    69    72   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67  -0.11250  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    76    49   0.15000  1.0 3.0
   64    63    76    74   0.15000  1.0 3.0
   64    63    76    77   0.23400  1.0 3.0
   65    63    76    49   0.56750  1.0 1.0
   65    63    76    49  -0.07550 -1.0 2.0
   65    63    76    49   0.20000  1.0 3.0
   65    63    76    74   3.97050  1.0 1.0
   65    63    76    77   0.62750  1.0 1.0
   65    63    76    77  -0.30950 -1.0 2.0
   65    63    76    77   0.27300  1.0 3.0
   65    67   -73    74   1.63150  1.0 1.0
   65    67   -73    74   2.92000 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    73   0.00000  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   67    65    69    70  -0.11250  1.0 3.0
   67    65    69    71  -0.11250  1.0 3.0
   67    65    69    72  -0.11250  1.0 3.0
   67    73    74    75   0.08050  1.0 3.0
   67    73    74    76  -2.60950  1.0 1.0
   67    73    74    76   1.40200 -1.0 2.0
   67    73    74    76   0.21950  1.0 3.0
   67    73    74    41  -1.83450  1.0 1.0
   67    73    74    41  -0.02700 -1.0 2.0
   67    73    74    41  -0.20100  1.0 3.0
   68    67    73    74   3.00000 -1.0 2.0
   73    74    76    49   0.62750  1.0 1.0
   73    74    76    49  -0.30950 -1.0 2.0
   73    74    76    49   0.27300  1.0 3.0
   73    74   -76    63   0.62750  1.0 1.0
   73    74   -76    63  -0.30950 -1.0 2.0
   73    74   -76    63   0.27300  1.0 3.0
   73    74    76    77   1.11900  1.0 1.0
   73    74    76    77  -1.16350 -1.0 2.0
   73    74    76    77  -0.34150  1.0 3.0
   73    74    41    37  -0.53350  1.0 1.0
   73    74    41    37  -0.78350 -1.0 2.0
   73    74    41    37   0.33750  1.0 3.0
   75    74    76    49   0.15000  1.0 3.0
   75    74    76    63   0.15000  1.0 3.0
   75    74    76    77   0.23400  1.0 3.0
   75    74    41    37   0.37050  1.0 3.0
   76    49    51    52   0.15000  1.0 3.0
   76    49   -51    53   0.56750  1.0 1.0
   76    49   -51    53  -0.07550 -1.0 2.0
   76    49   -51    53   0.20000  1.0 3.0
   76    49    51    56   0.56750  1.0 1.0
   76    49    51    56  -0.07550 -1.0 2.0
   76    49    51    56   0.20000  1.0 3.0
   76    63    65    66   0.15000  1.0 3.0
   76    63   -65    67  -0.95700  1.0 1.0
   76    63   -65    67  -0.18200 -1.0 2.0
   76    63   -65    67   0.29450  1.0 3.0
   76    63    65    69   0.56750  1.0 1.0
   76    63    65    69  -0.07550 -1.0 2.0
   76    63    65    69   0.20000  1.0 3.0
   76    74    41    37   0.06250  1.0 1.0
   76    74    41    37  -0.01100 -1.0 2.0
   76    74    41    37   0.28050  1.0 3.0
   41    37    38    39   0.23400  1.0 3.0
   41    37    38    40   0.23400  1.0 3.0
   41    37    38    46   0.62750  1.0 1.0
   41    37    38    46  -0.30950 -1.0 2.0
   41    37    38    46   0.27300  1.0 3.0
   41    37    42    43   0.23400  1.0 3.0
   41    37    42    44   0.23400  1.0 3.0
   41    37    42    45   0.23400  1.0 3.0
   41    74    76    49   0.62750  1.0 1.0
   41    74    76    49  -0.30950 -1.0 2.0
   41    74    76    49   0.27300  1.0 3.0
   41    74    76    63   0.62750  1.0 1.0
   41    74    76    63  -0.30950 -1.0 2.0
   41    74    76    63   0.27300  1.0 3.0
   41    74    76    77   1.11900  1.0 1.0
   41    74    76    77  -1.16350 -1.0 2.0
   41    74    76    77  -0.34150  1.0 3.0
   69    65    67    68   0.30150 -1.0 2.0
   69    65    67    73   0.36750  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    60   0.56750  1.0 1.0
   56    51    53    60  -0.07550 -1.0 2.0
   56    51    53    60   0.20000  1.0 3.0
   42    37    38    39   0.15000  1.0 3.0
   42    37    38    40   0.15000  1.0 3.0
   42    37    38    46   0.56750  1.0 1.0
   42    37    38    46  -0.07550 -1.0 2.0
   42    37    38    46   0.20000  1.0 3.0
   42    37    41    74   0.06250  1.0 1.0
   42    37    41    74  -0.01100 -1.0 2.0
   42    37    41    74   0.28050  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
   36    30    34    35  10.50000 -1.0 2.0
   65    73    67    68  10.50000 -1.0 2.0
END
