* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    237     447
    1     0 S   NP   _N1_     1    28.75882    95.34101   -22.94198
    2     1 S   H    _HN1     2     1.02785    99.99433  -101.32974
    3     1 S   H    _H1_     3     1.02950    81.49873     5.94369
    4     1 S   H    _H2_     4     1.02828    31.38760   150.61027
    5     1 S   CT   _CA1     5     1.50109   138.70228   117.29202
    6     5 S   HC   _HA1     6     1.09572   105.21363    77.10293
    7     5 S   CO3  _C1_     7     1.53792   112.38759   -43.16420
    8     7 S   O2Z  _O11     8     1.26374   115.00859   -44.24307
    9     7 S   O2Z  _O12     9     1.26235   114.92999   134.85573
   10     5 S   CT   _CB1    10     1.53069   107.41640  -164.92672
   11    10 S   HC   HB11    11     1.09832   109.40302   -49.77810
   12    10 S   HC   HB12    12     1.09815   110.44097    66.82864
   13    10 S   CT   _CG1    13     1.52991   112.59721  -170.75701
   14    13 S   HC   HG11    14     1.09588   110.60272   -64.61952
   15    13 S   HC   HG12    15     1.09664   109.83664    54.62907
   16    13 S   C    _CD1    16     1.51793   112.19886   175.08514
   17    16 S   O    _OE1    17     1.22735   123.24967     5.12870
   18    16 S   N    _N2_    18     1.38638   111.67298  -174.96211
   19    18 S   H    _HN2    19     1.01567   119.00785     1.93573
   20    18 S   CT1  _CA2    20     1.46284   123.41533   178.67131
   21    20 S   HC   _HA2    21     1.09742   109.33803     2.46053
   22    20 S   C    _C2_    22     1.53551   108.39566  -113.00396
   23    22 S   O    _O2_    23     1.23042   122.44635  -146.46108
   24    20 S   CT   _CB2    32     1.53559   111.68329   124.37665
   25    24 S   HC   HB21    33     1.09510   109.40397    57.64689
   26    24 S   HC   HB22    34     1.09261   109.41325   176.40686
   27    22 S   N    _N3_    24     1.38390   113.61180    40.88815
   28    27 S   H    _HN3    25     1.01582   119.55334    -3.18911
   29    24 S   S    _SG2    35     1.82990   110.84406   -62.59073
   30    27 S   CT   _CA3    26     1.45272   123.16949   177.16489
   31    30 S   HC   HA31    27     1.09551   107.49653   -64.80462
   32    30 S   HC   HA32    28     1.09557   107.99530    51.62314
   33    29 S   CT   _C17    36     1.88551   103.72267  -173.09073
   34    30 S   CO3  _C3_    29     1.52945   114.11388   173.62735
   35    34 S   O2Z  _O31    30     1.26370   116.09117    -0.89285
   36    34 S   O2Z  _O32    31     1.26431   114.40514   179.17386
   37    33 S   CT   _C10    37     1.58499   106.47529  -146.82699
   38    37 S   HC   _H31    38     1.08927   109.88734  -162.08201
   39    37 S   HC   _H32    39     1.10127   106.49599    88.03580
   40    33 S   CT   _C12    59     1.59891   111.11864    92.17000
   41    40 S   OM   _O18    60     1.32615   111.08945   -60.46474
   42    40 S   HC   _H34    61     1.08727   103.43321    65.29971
   43    33 S   CT   _C20    77     1.55367   110.28144   -32.16673
   44    43 S   HC   _H44    78     1.09435   112.96811    69.97693
   45    43 S   HC   _H45    79     1.09675   111.42780   -51.50286
   46    43 S   HC   _H46    80     1.09542   111.32283  -170.02419
   47    37 S   CT   _C15    40     1.55284   123.76176   -32.81890
   48    47 S   HC   _H37    41     1.09504   107.99015    61.60142
   49    47 S   CT   _C11    42     1.54742   118.82566   -62.37574
   50    49 S   HC   _H33    43     1.09626   109.06383    55.83096
   51    47 S   OS   _O23    70     1.46025   106.54791   177.12601
   52    49 S   CM   _C4_    44     1.50210   114.25162   174.10346
   53    51 S   CO4  _C7_    71     1.36236   118.26381   -88.68929
   54    53 S   O    _O20    72     1.22285   126.54854     0.76694
   55    52 S   CO4  _C5_    45     1.47482   109.57309   143.59512
   56    55 S   O    _O19    46     1.21783   127.05212   171.65040
   57    52 S   CM   _C6_    67     1.33726   130.02552   -36.09854
   58    57 S   HC   _H25    68     1.08434   121.60526    -0.86841
   59    57 S   HC   _H26    69     1.08553   121.68801   179.74056
   60    53 S   CT   _C18    73     1.49827   109.38604  -179.33559
   61    60 S   HC   _H38    74     1.09290   109.81930   -61.20602
   62    60 S   HC   _H39    75     1.09376   109.37158   179.71884
   63    60 S   HC   _H40    76     1.09294   109.81549    60.68669
   64    55 S   OS   _O21    47     1.35801   107.30136    -7.26588
   65    49 S   CT   _C13    48     1.54286   116.47871   -70.23523
   66    65 S   HC   _H35    49     1.09356   112.45401   -30.35671
   67    65 S   C3T  _C14    50     1.48838   111.13542    96.48487
   68    67 S   HC   _H36    51     1.08347   111.90480    46.99254
   69    67 S   C3T  _C16    52     1.51947   121.53720  -107.59966
   70    69 S   CT   _C9_    53     1.50715   114.76848   143.47293
   71    70 S   HC   _H29    54     1.09681   108.77514   153.54511
   72    70 S   HC   _H30    55     1.09686   111.45098    36.59277
   73    67 S   O3T  _O22    62     1.42789   120.24290  -176.92120
   74    69 S   CT   _C19    63     1.50366   125.41650   -16.80984
   75    74 S   HC   _H41    64     1.09450   112.39948   -26.69693
   76    74 S   HC   _H42    65     1.09567   109.78089  -145.54462
   77    74 S   HC   _H43    66     1.09147   112.12887    95.04122
   78    70 S   CT   _C8_    56     1.54756   111.40769   -86.48106
   79    78 S   HC   _H27    57     1.10107   106.97040  -162.72166
   80    78 S   HC   _H28    58     1.09368   108.09500   -50.69782
  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  13   5   4   3
  18   2   1   1  18   7   6  14   6   5   5   2   1   1  14   6
  16   8   8   9   5   4   8   3   4   1   1   3   2   1   1   6
   7   4  11   4  11  10   6   5   5   4   2   1   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    78    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    70    78    79    80    40    41    42    51    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    52    65    78    40    41    42    51    53    43    44    45    46  
   39    47    48    49    40    51    43  
   47    48    49    40    51    43  
   41    42    43    44    45    46    47    69    70    71    72    78    79    80  
   42    43    70    78    79    80  
   43    70    78    79    80  
   44    45    46    47    78  
   45    46  
   46  
    0  
   48    49    50    52    55    64    65    66    67    57    51    53    54    60  
   49    50    52    65    51    53  
   50    52    55    56    64    65    66    67    68    69    73    57    58    59    51    53  
   52    55    64    65    66    67    57    51  
   53    54    60    61    62    63    52    65  
   55    56    64    65    66    67    57    58    59  
   54    60    61    62    63  
   60    61    62    63  
   56    64    65    66    67    57    58    59  
   64    65    57  
   58    59    64    65  
   59  
    0  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    73  
   66    67    68    69    70    73    74  
   67    68    69    73  
   68    69    70    71    72    78    73    74    75    76    77  
   69    70    73    74  
   70    71    72    78    79    80    73    74    75    76    77  
   71    72    78    79    80    73    74    75    76    77  
   72    78    79    80    73    74  
   78    79    80    73    74  
   74    75    76    77    78  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80  
   80  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    65   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    64   214.000  1.327
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   275.000  1.510
   67    68   340.000  1.088
   67    69   260.000  1.509
   67    73   335.000  1.432
   69    70   275.000  1.510
   69    73   335.000  1.432
   69    74   275.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    78    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    58.35000  112.70000
   37    47    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    65    58.35000  112.70000
   47    51    53    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    65    64    50.00000  109.50000
   49    65    66    37.50000  110.70000
   49    65    67    70.00000  112.37300
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    64    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    64    65    83.00000  116.90000
   64    55    56    83.00000  123.40000
   64    65    66    35.00000  109.50000
   64    65    67    50.00000  109.50000
   65    49    50    37.50000  110.70000
   65    49    52    70.00000  112.02700
   65    67    68    40.00000  115.04500
   65    67    69    60.00000  120.94000
   65    67    73    80.00000  116.47100
   67    65    66    45.00000  109.38400
   67    69    70    60.00000  120.94000
   67    69    73    15.00000   60.43100
   67    69    74    60.00000  120.94000
   67    73    69    15.00000   59.14900
   69    67    68    37.50000  117.20000
   69    70    71    45.00000  109.38400
   69    70    72    45.00000  109.38400
   69    70    78    70.00000  112.37300
   69    74    75    45.00000  109.38400
   69    74    76    45.00000  109.38400
   69    74    77    45.00000  109.38400
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    40    58.35000  112.70000
   72    70    71    33.00000  107.80000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    40    41    50.00000  109.50000
   78    40    42    37.50000  110.70000
   80    78    79    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    78    79    37.50000  110.70000
   40    78    80    37.50000  110.70000
   42    40    41    45.00000  125.66300
   73    67    68    50.00000  114.27700
   73    67    69    15.00000   60.43100
   73    69    70    80.00000  116.47100
   74    69    70    58.35000  112.70000
   74    69    73    80.00000  116.47100
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    81.00000  111.40000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   60    53    54    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    78   0.44750  1.0 1.0
   29    33    40    78  -0.17800 -1.0 2.0
   29    33    40    78   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.56750  1.0 1.0
   33    37    47    49  -0.07550 -1.0 2.0
   33    37    47    49   0.20000  1.0 3.0
   33    37    47    51   0.62750  1.0 1.0
   33    37    47    51  -0.30950 -1.0 2.0
   33    37    47    51   0.27300  1.0 3.0
   37    33    40    78   0.56750  1.0 1.0
   37    33    40    78  -0.07550 -1.0 2.0
   37    33    40    78   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.15000  1.0 3.0
   37    47    49    52   0.34400  1.0 1.0
   37    47    49    52   0.09450 -1.0 2.0
   37    47    49    52   0.11100  1.0 3.0
   37    47    49    65   0.56750  1.0 1.0
   37    47    49    65  -0.07550 -1.0 2.0
   37    47    49    65   0.20000  1.0 3.0
   37    47    51    53  -0.25900  1.0 1.0
   37    47    51    53  -0.47000 -1.0 2.0
   37    47    51    53   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    51   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    51   0.23400  1.0 3.0
   47    49    52    55   0.09700  1.0 1.0
   47    49    52    55   0.15600 -1.0 2.0
   47    49    52    55  -0.50800  1.0 3.0
   47    49    52    57   0.09850  1.0 1.0
   47    49    52    57   0.15250 -1.0 2.0
   47    49    52    57  -0.50650  1.0 3.0
   47    49    65    64   0.62750  1.0 1.0
   47    49    65    64  -0.30950 -1.0 2.0
   47    49    65    64   0.27300  1.0 3.0
   47    49    65    66   0.15000  1.0 3.0
   47    49    65    67   0.47050  1.0 1.0
   47    49    65    67   0.03900 -1.0 2.0
   47    49    65    67   0.20100  1.0 3.0
   47    51    53    54   3.00000 -1.0 2.0
   47    51    53    60   1.63150  1.0 1.0
   47    51    53    60   2.92000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    65   0.15000  1.0 3.0
   48    47    51    53   0.08050  1.0 3.0
   49    47    51    53  -0.25900  1.0 1.0
   49    47    51    53  -0.47000 -1.0 2.0
   49    47    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    64  -0.15000  1.0 1.0
   49    52   -55    64   0.89550 -1.0 2.0
   49    52   -55    64  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    65    67    68   0.15000  1.0 3.0
   49    65    67    69   0.07850  1.0 1.0
   49    65    67    69  -0.03950 -1.0 2.0
   49    65    67    69   0.67350  1.0 3.0
   49    65    67    73   0.02550  1.0 1.0
   49    65    67    73  -0.02600 -1.0 2.0
   49    65    67    73   1.20400  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    65    64   0.23400  1.0 3.0
   50    49    65    66   0.15000  1.0 3.0
   50    49    65    67   0.15000  1.0 3.0
   52    49   -65    64   0.61850  1.0 1.0
   52    49   -65    64  -0.22750 -1.0 2.0
   52    49   -65    64   0.15300  1.0 3.0
   52    49    65    66   0.15000  1.0 3.0
   52    49    65    67   0.34400  1.0 1.0
   52    49    65    67   0.09450 -1.0 2.0
   52    49    65    67   0.11100  1.0 3.0
   52    55   -64    65   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    64   -65    49  -0.25900  1.0 1.0
   55    64   -65    49  -0.47000 -1.0 2.0
   55    64   -65    49   0.11750  1.0 3.0
   55    64    65    66   0.08050  1.0 3.0
   55    64    65    67  -0.25900  1.0 1.0
   55    64    65    67  -0.47000 -1.0 2.0
   55    64    65    67   0.11750  1.0 3.0
   56    55    64    65   3.00000 -1.0 2.0
   64    65    67    68   0.23400  1.0 3.0
   64    65    67    69  -0.26800  1.0 1.0
   64    65    67    69   0.69150 -1.0 2.0
   64    65    67    69  -0.48750  1.0 3.0
   64    65    67    73   1.11900  1.0 1.0
   64    65    67    73  -1.16350 -1.0 2.0
   64    65    67    73  -0.34150  1.0 3.0
   65    49   -52    55   0.09700  1.0 1.0
   65    49   -52    55   0.15600 -1.0 2.0
   65    49   -52    55  -0.50800  1.0 3.0
   65    49    52    57   0.09850  1.0 1.0
   65    49    52    57   0.15250 -1.0 2.0
   65    49    52    57  -0.50650  1.0 3.0
   65    67    69    70   0.56750  1.0 1.0
   65    67    69    70  -0.07550 -1.0 2.0
   65    67    69    70   0.20000  1.0 3.0
   65    67   -69    73   0.02550  1.0 1.0
   65    67   -69    73  -0.02600 -1.0 2.0
   65    67   -69    73   1.20400  1.0 3.0
   65    67    69    74   0.56750  1.0 1.0
   65    67    69    74  -0.07550 -1.0 2.0
   65    67    69    74   0.20000  1.0 3.0
   65    67   -73    69   0.06250  1.0 1.0
   65    67   -73    69  -0.01100 -1.0 2.0
   65    67   -73    69   0.28050  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   67    69    70    71   0.15000  1.0 3.0
   67    69    70    72   0.15000  1.0 3.0
   67    69    70    78   0.07850  1.0 1.0
   67    69    70    78  -0.03950 -1.0 2.0
   67    69    70    78   0.67350  1.0 3.0
   67    69    74    75   0.15000  1.0 3.0
   67    69    74    76   0.15000  1.0 3.0
   67    69    74    77   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67   -69    73   0.23400  1.0 3.0
   68    67    69    74   0.15000  1.0 3.0
   68    67   -73    69   0.36800  1.0 3.0
   69    70    78    79   0.15000  1.0 3.0
   69    70    78    80   0.15000  1.0 3.0
   69    70    78    40   0.47050  1.0 1.0
   69    70    78    40   0.03900 -1.0 2.0
   69    70    78    40   0.20100  1.0 3.0
   70    69   -73    67   0.06250  1.0 1.0
   70    69   -73    67  -0.01100 -1.0 2.0
   70    69   -73    67   0.28050  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.15000  1.0 3.0
   70    78    40    33   0.56750  1.0 1.0
   70    78    40    33  -0.07550 -1.0 2.0
   70    78    40    33   0.20000  1.0 3.0
   70    78    40    41   0.62750  1.0 1.0
   70    78    40    41  -0.30950 -1.0 2.0
   70    78    40    41   0.27300  1.0 3.0
   70    78    40    42   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    40   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    80   0.15000  1.0 3.0
   72    70    78    40   0.15000  1.0 3.0
   79    78    40    33   0.15000  1.0 3.0
   79    78    40    41   0.23400  1.0 3.0
   79    78    40    42   0.15000  1.0 3.0
   80    78    40    33   0.15000  1.0 3.0
   80    78    40    41   0.23400  1.0 3.0
   80    78    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   73    67   -69    70   0.02550  1.0 1.0
   73    67   -69    70  -0.02600 -1.0 2.0
   73    67   -69    70   1.20400  1.0 3.0
   73    67   -69    74   0.02550  1.0 1.0
   73    67   -69    74  -0.02600 -1.0 2.0
   73    67   -69    74   1.20400  1.0 3.0
   73    69    70    71   0.23400  1.0 3.0
   73    69    70    72   0.23400  1.0 3.0
   73    69    70    78   0.02550  1.0 1.0
   73    69    70    78  -0.02600 -1.0 2.0
   73    69    70    78   1.20400  1.0 3.0
   73    69    74    75   0.23400  1.0 3.0
   73    69    74    76   0.23400  1.0 3.0
   73    69    74    77   0.23400  1.0 3.0
   74    69    70    71   0.15000  1.0 3.0
   74    69    70    72   0.15000  1.0 3.0
   74    69    70    78   0.56750  1.0 1.0
   74    69    70    78  -0.07550 -1.0 2.0
   74    69    70    78   0.20000  1.0 3.0
   74    69   -73    67   0.06250  1.0 1.0
   74    69   -73    67  -0.01100 -1.0 2.0
   74    69   -73    67   0.28050  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    64  -0.56150  1.0 1.0
   57    52    55    64   2.19150 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    65   0.62750  1.0 1.0
   51    47    49    65  -0.30950 -1.0 2.0
   51    47    49    65   0.27300  1.0 3.0
   51    53    60    61   0.00000  1.0 1.0
   51    53    60    62   0.00000  1.0 1.0
   51    53    60    63   0.00000  1.0 1.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.00000  1.0 1.0
   54    53    60    63   0.00000  1.0 1.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    78   0.56750  1.0 1.0
   43    33    40    78  -0.07550 -1.0 2.0
   43    33    40    78   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  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
   49    55    52    57   1.10000 -1.0 2.0
   52    64    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
END
