* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    155    245     459
    1     0 S   NP   _N1_     1    28.71614    95.04981   -22.04540
    2     1 S   H    _HN1     2     1.02953    84.28617    26.50344
    3     1 S   H    _H1_     3     1.02829    33.13460   160.41177
    4     1 S   H    _H2_     4     1.02780    93.49631   -81.59522
    5     1 S   CT   _CA1     5     1.50102   142.97248   143.20896
    6     5 S   HC   _HA1     6     1.09573   105.24054    69.12196
    7     5 S   CO3  _C1_     7     1.53823   112.36992   -51.15952
    8     7 S   O2Z  _O11     8     1.26371   115.00939   -44.47217
    9     7 S   O2Z  _O12     9     1.26239   114.94440   134.69221
   10     5 S   CT   _CB1    10     1.53091   107.43052  -172.90569
   11    10 S   HC   HB11    11     1.09824   109.46794   -50.01617
   12    10 S   HC   HB12    12     1.09817   110.40752    66.61350
   13    10 S   CT   _CG1    13     1.52958   112.54546  -171.03821
   14    13 S   HC   HG11    14     1.09598   110.46477   -62.64830
   15    13 S   HC   HG12    15     1.09657   109.95702    56.54402
   16    13 S   C    _CD1    16     1.51793   112.35340   177.01338
   17    16 S   O    _OE1    17     1.22716   123.33356    -0.66735
   18    16 S   N    _N2_    18     1.38580   111.48888   179.26272
   19    18 S   H    _HN2    19     1.01590   118.97581     2.05919
   20    18 S   CT1  _CA2    20     1.46141   123.59520  -179.22091
   21    20 S   HC   _HA2    21     1.09741   109.31484    -6.74765
   22    20 S   C    _C2_    22     1.53502   108.46310  -122.10297
   23    22 S   O    _O2_    23     1.23024   122.43671  -149.88360
   24    20 S   CT   _CB2    32     1.53697   111.54206   115.26538
   25    24 S   HC   HB21    33     1.09253   109.52618    55.16191
   26    24 S   HC   HB22    34     1.09363   109.07237   173.95295
   27    22 S   N    _N3_    24     1.38392   113.55936    37.77596
   28    27 S   H    _HN3    25     1.01623   119.46380    -3.69491
   29    24 S   S    _SG2    35     1.83398   110.96615   -66.42897
   30    27 S   CT   _CA3    26     1.45272   123.12246   176.95657
   31    30 S   HC   HA31    27     1.09551   107.53271   -63.82596
   32    30 S   HC   HA32    28     1.09559   107.94388    52.58241
   33    29 S   CT   _C10    36     1.87331   104.12241   174.11310
   34    30 S   CO3  _C3_    29     1.52925   114.14184   174.56989
   35    34 S   O2Z  _O31    30     1.26365   116.07196    -0.47395
   36    34 S   O2Z  _O32    31     1.26432   114.40678   179.57989
   37    33 S   CM   _C17    37     1.52890   107.48965    41.37116
   38    33 S   CT   _C9_    54     1.58024   110.62337   166.57418
   39    38 S   HC   _H5_    55     1.09570   109.13805  -117.63456
   40    37 S   CMA  _C16    38     1.35155   112.79893  -109.97610
   41    40 S   OM   _O33    39     1.25758   135.14123   178.60492
   42    38 S   OS   _O34    56     1.43899   113.99599     2.10078
   43    37 S   CT   _C18    76     1.50039   121.74013    69.17353
   44    43 S   HC   _H21    77     1.09363   111.29185   -53.77893
   45    43 S   HC   _H22    78     1.09487   111.97019  -173.56191
   46    43 S   HC   _H23    79     1.09359   110.84444    66.78883
   47    40 S   CT   _C15    40     1.51860   110.56770    -1.89940
   48    47 S   HC   _H19    41     1.09336   108.72549   105.76213
   49    47 S   HC   _H20    42     1.09677   113.02499  -135.21685
   50    42 S   CO4  _C19    57     1.36215   117.51586  -160.39044
   51    50 S   O    _O35    58     1.22310   126.53088    -0.32325
   52    33 S   CT   _C11    43     1.59129   120.49115   -73.35677
   53    50 S   CT   _C20    59     1.49832   109.38000   179.92087
   54    53 S   HC   _H24    60     1.09293   109.83372   -60.45040
   55    53 S   HC   _H25    61     1.09375   109.37189  -179.48490
   56    53 S   HC   _H26    62     1.09293   109.79573    61.43363
   57    52 S   CT   _C5_    44     1.57728   115.64146   -33.84964
   58    57 S   HC   _H3_    45     1.09514   106.56111  -169.54347
   59    57 S   CT   _C6_    46     1.54644   111.65646   -52.54623
   60    59 S   HC   _H9_    47     1.09772   109.44260  -161.12977
   61    59 S   HC   _H10    48     1.09527   110.00805    84.10307
   62    57 S   CT   _C4_    72     1.53349   119.36563    76.56410
   63    62 S   HC   _H6_    73     1.08711   113.26600   -73.09400
   64    62 S   HC   _H7_    74     1.09738   109.42156   169.08563
   65    62 S   HC   _H8_    75     1.09182   112.59079    51.22262
   66    59 S   CT   _C7_    49     1.53120   114.99323   -38.34681
   67    66 S   HC   _H11    50     1.09663   109.02802   157.26382
   68    66 S   HC   _H12    51     1.09649   108.89063   -89.31806
   69    66 S   CT   _C8_    52     1.54088   114.46422    33.03698
   70    69 S   HC   _H4_    53     1.09680   107.81653  -176.35396
   71    52 S   CT   _C12    63     1.61715   103.16085  -149.80688
   72    71 S   CT   _C13    64     1.55649   117.42709   -69.92487
   73    72 S   HC   _H13    65     1.09532   111.30074   -66.86262
   74    72 S   HC   _H14    66     1.09772   110.18681   174.94836
   75    72 S   HC   _H15    67     1.08986   115.05691    56.31018
   76    71 S   CT   _C14    68     1.55028   115.37835   168.17123
   77    76 S   HC   _H16    69     1.09568   110.59005    61.42398
   78    76 S   HC   _H17    70     1.09105   115.15974   -60.39503
   79    76 S   HC   _H18    71     1.09703   110.67052  -179.57618
  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  12   5   4   3
  25   2   1   1  16  19   7  11   5  11   5   2   1   1  11   4
   3   6   4  21   3   2   1   1  15   9  12   6   5   5   2   1
   1   7   4   3  10   3   8   7   3   2   1   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    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    52    57    69    38    39    42    71    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    48    49    52    57    58    59    66    69    70    38    39    42    50    71    72    76    62    43    44    45    46  
   35    36  
   36  
    0  
   40    41    47    48    49    52    57    69    38    39    42    71    43    44    45    46  
   39    42    50    51    53    71    72    76    43    40    47    52    57    59    66    67    68    69    70  
   42    50    71    52    66    69    70  
   41    47    48    49    52    57    71    43    44    45    46  
   47    48    49    52    43  
   50    51    53    54    55    56    71    52    66    69    70  
   44    45    46    47    52  
   45    46  
   46  
    0  
   48    49    52    57    58    59    69    71    72    76    62  
   49    52    57    71  
   52    57    71  
   51    53    54    55    56    69  
   53    54    55    56  
   57    58    59    60    61    66    69    70    71    72    73    74    75    76    77    78    79    62    63    64    65  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    66    67    68    69    71    72    76    62    63    64    65  
   59    60    61    66    71    62    63    64    65  
   60    61    66    67    68    69    70    71    62    63    64    65  
   61    66    67    68    69    62  
   66    67    68    69    62  
   63    64    65    66    71  
   64    65  
   65  
    0  
   67    68    69    70    71    72    76  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75    76    77    78    79  
   71    72    76  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    52   268.000  1.529
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    43   317.000  1.510
   40    41   745.000  1.250
   40    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    57   268.000  1.529
   52    71   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    38   268.000  1.529
   69    71   268.000  1.529
   38    39   340.000  1.090
   38    42   320.000  1.410
   42    50   214.000  1.327
   50    51   570.000  1.229
   50    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   71    72   268.000  1.529
   71    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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  112.20000
   29    33    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    52    47    58.35000  112.70000
   33    52    57    58.35000  112.70000
   33    52    71    58.35000  112.70000
   33    38    69    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    42    50.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    47    65.00000  122.18000
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   40    47    48    45.00000  110.52000
   40    47    49    45.00000  110.52000
   40    47    52    70.00000  112.02700
   47    40    41    85.00000  112.85300
   47    52    57    58.35000  112.70000
   47    52    71    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    58.35000  112.70000
   52    57    62    58.35000  112.70000
   52    71    69    58.35000  112.70000
   52    71    72    58.35000  112.70000
   52    71    76    58.35000  112.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    66    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    38    58.35000  112.70000
   66    69    71    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    38    39    37.50000  110.70000
   69    38    42    50.00000  109.50000
   69    71    72    58.35000  112.70000
   69    71    76    58.35000  112.70000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   38    69    70    37.50000  110.70000
   38    42    50    83.00000  116.90000
   42    38    39    35.00000  109.50000
   42    50    51    83.00000  123.40000
   42    50    53    81.00000  111.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   53    50    51    80.00000  120.40000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   71    52    57    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    69    38    58.35000  112.70000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    75    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    71    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   43    37    40    70.00000  124.00000
   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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    57   0.44750  1.0 1.0
   29    33    52    57  -0.17800 -1.0 2.0
   29    33    52    57   0.20200  1.0 3.0
   29    33    52    71   0.44750  1.0 1.0
   29    33    52    71  -0.17800 -1.0 2.0
   29    33    52    71   0.20200  1.0 3.0
   29    33    38    69   0.44750  1.0 1.0
   29    33    38    69  -0.17800 -1.0 2.0
   29    33    38    69   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    47   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   33    52    57    58   0.15000  1.0 3.0
   33    52    57    59   0.56750  1.0 1.0
   33    52    57    59  -0.07550 -1.0 2.0
   33    52    57    59   0.20000  1.0 3.0
   33    52    57    62   0.56750  1.0 1.0
   33    52    57    62  -0.07550 -1.0 2.0
   33    52    57    62   0.20000  1.0 3.0
   33    52   -71    69   0.56750  1.0 1.0
   33    52   -71    69  -0.07550 -1.0 2.0
   33    52   -71    69   0.20000  1.0 3.0
   33    52    71    72   0.56750  1.0 1.0
   33    52    71    72  -0.07550 -1.0 2.0
   33    52    71    72   0.20000  1.0 3.0
   33    52    71    76   0.56750  1.0 1.0
   33    52    71    76  -0.07550 -1.0 2.0
   33    52    71    76   0.20000  1.0 3.0
   33    38    42    50  -0.25900  1.0 1.0
   33    38    42    50  -0.47000 -1.0 2.0
   33    38    42    50   0.11750  1.0 3.0
   37    33   -52    47   0.34400  1.0 1.0
   37    33   -52    47   0.09450 -1.0 2.0
   37    33   -52    47   0.11100  1.0 3.0
   37    33    52    57   0.34400  1.0 1.0
   37    33    52    57   0.09450 -1.0 2.0
   37    33    52    57   0.11100  1.0 3.0
   37    33    52    71   0.34400  1.0 1.0
   37    33    52    71   0.09450 -1.0 2.0
   37    33    52    71   0.11100  1.0 3.0
   37    33    38    69   0.34400  1.0 1.0
   37    33    38    69   0.09450 -1.0 2.0
   37    33    38    69   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    42   0.61850  1.0 1.0
   37    33    38    42  -0.22750 -1.0 2.0
   37    33    38    42   0.15300  1.0 3.0
   37    40    47    48   0.00000  1.0 1.0
   37    40    47    49   0.00000  1.0 1.0
   37    40   -47    52   0.09850  1.0 1.0
   37    40   -47    52   0.15250 -1.0 2.0
   37    40   -47    52  -0.50650  1.0 3.0
   40    37    43    44   0.00000  1.0 1.0
   40    37    43    45   0.00000  1.0 1.0
   40    37    43    46   0.00000  1.0 1.0
   40    47   -52    33   0.34400  1.0 1.0
   40    47   -52    33   0.09450 -1.0 2.0
   40    47   -52    33   0.11100  1.0 3.0
   40    47    52    57   0.34400  1.0 1.0
   40    47    52    57   0.09450 -1.0 2.0
   40    47    52    57   0.11100  1.0 3.0
   40    47    52    71   0.34400  1.0 1.0
   40    47    52    71   0.09450 -1.0 2.0
   40    47    52    71   0.11100  1.0 3.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    49   0.00000  1.0 1.0
   41    40    47    52   0.09700  1.0 1.0
   41    40    47    52   0.15600 -1.0 2.0
   41    40    47    52  -0.50800  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    59   0.56750  1.0 1.0
   47    52    57    59  -0.07550 -1.0 2.0
   47    52    57    59   0.20000  1.0 3.0
   47    52    57    62   0.56750  1.0 1.0
   47    52    57    62  -0.07550 -1.0 2.0
   47    52    57    62   0.20000  1.0 3.0
   47    52    71    69   0.56750  1.0 1.0
   47    52    71    69  -0.07550 -1.0 2.0
   47    52    71    69   0.20000  1.0 3.0
   47    52    71    72   0.56750  1.0 1.0
   47    52    71    72  -0.07550 -1.0 2.0
   47    52    71    72   0.20000  1.0 3.0
   47    52    71    76   0.56750  1.0 1.0
   47    52    71    76  -0.07550 -1.0 2.0
   47    52    71    76   0.20000  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   48    47    52    71   0.15000  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    57   0.15000  1.0 3.0
   49    47    52    71   0.15000  1.0 3.0
   52    33   -37    40   0.09850  1.0 1.0
   52    33   -37    40   0.15250 -1.0 2.0
   52    33   -37    40  -0.50650  1.0 3.0
   52    33    37    43   0.46850  1.0 1.0
   52    33    37    43   0.08550 -1.0 2.0
   52    33    37    43   0.09800  1.0 3.0
   52    33   -38    69   0.56750  1.0 1.0
   52    33   -38    69  -0.07550 -1.0 2.0
   52    33   -38    69   0.20000  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    42   0.62750  1.0 1.0
   52    33    38    42  -0.30950 -1.0 2.0
   52    33    38    42   0.27300  1.0 3.0
   52    57    59    60   0.15000  1.0 3.0
   52    57    59    61   0.15000  1.0 3.0
   52    57    59    66   0.56750  1.0 1.0
   52    57    59    66  -0.07550 -1.0 2.0
   52    57    59    66   0.20000  1.0 3.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    65   0.15000  1.0 3.0
   52    71    72    73   0.15000  1.0 3.0
   52    71    72    74   0.15000  1.0 3.0
   52    71    72    75   0.15000  1.0 3.0
   52    71    76    77   0.15000  1.0 3.0
   52    71    76    78   0.15000  1.0 3.0
   52    71    76    79   0.15000  1.0 3.0
   57    52    71    69   0.56750  1.0 1.0
   57    52    71    69  -0.07550 -1.0 2.0
   57    52    71    69   0.20000  1.0 3.0
   57    52    71    72   0.56750  1.0 1.0
   57    52    71    72  -0.07550 -1.0 2.0
   57    52    71    72   0.20000  1.0 3.0
   57    52    71    76   0.56750  1.0 1.0
   57    52    71    76  -0.07550 -1.0 2.0
   57    52    71    76   0.20000  1.0 3.0
   57    59    66    67   0.15000  1.0 3.0
   57    59    66    68   0.15000  1.0 3.0
   57    59   -66    69   0.56750  1.0 1.0
   57    59   -66    69  -0.07550 -1.0 2.0
   57    59   -66    69   0.20000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    66   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    66    69    70   0.15000  1.0 3.0
   59    66    69    38   0.56750  1.0 1.0
   59    66    69    38  -0.07550 -1.0 2.0
   59    66    69    38   0.20000  1.0 3.0
   59    66    69    71   0.56750  1.0 1.0
   59    66    69    71  -0.07550 -1.0 2.0
   59    66    69    71   0.20000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    69   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    69   0.15000  1.0 3.0
   66    69    38    33   0.56750  1.0 1.0
   66    69    38    33  -0.07550 -1.0 2.0
   66    69    38    33   0.20000  1.0 3.0
   66    69    38    39   0.15000  1.0 3.0
   66    69    38    42   0.62750  1.0 1.0
   66    69    38    42  -0.30950 -1.0 2.0
   66    69    38    42   0.27300  1.0 3.0
   66    69   -71    52   0.56750  1.0 1.0
   66    69   -71    52  -0.07550 -1.0 2.0
   66    69   -71    52   0.20000  1.0 3.0
   66    69    71    72   0.56750  1.0 1.0
   66    69    71    72  -0.07550 -1.0 2.0
   66    69    71    72   0.20000  1.0 3.0
   66    69    71    76   0.56750  1.0 1.0
   66    69    71    76  -0.07550 -1.0 2.0
   66    69    71    76   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    38   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    38   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   69    38    42    50  -0.25900  1.0 1.0
   69    38    42    50  -0.47000 -1.0 2.0
   69    38    42    50   0.11750  1.0 3.0
   69    71    72    73   0.15000  1.0 3.0
   69    71    72    74   0.15000  1.0 3.0
   69    71    72    75   0.15000  1.0 3.0
   69    71    76    77   0.15000  1.0 3.0
   69    71    76    78   0.15000  1.0 3.0
   69    71    76    79   0.15000  1.0 3.0
   70    69    38    33   0.15000  1.0 3.0
   70    69    38    39   0.15000  1.0 3.0
   70    69    38    42   0.23400  1.0 3.0
   70    69    71    52   0.15000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    76   0.15000  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    57   0.56750  1.0 1.0
   38    33    52    57  -0.07550 -1.0 2.0
   38    33    52    57   0.20000  1.0 3.0
   38    33   -52    71   0.56750  1.0 1.0
   38    33   -52    71  -0.07550 -1.0 2.0
   38    33   -52    71   0.20000  1.0 3.0
   38    69   -71    52   0.56750  1.0 1.0
   38    69   -71    52  -0.07550 -1.0 2.0
   38    69   -71    52   0.20000  1.0 3.0
   38    69    71    72   0.56750  1.0 1.0
   38    69    71    72  -0.07550 -1.0 2.0
   38    69    71    72   0.20000  1.0 3.0
   38    69    71    76   0.56750  1.0 1.0
   38    69    71    76  -0.07550 -1.0 2.0
   38    69    71    76   0.20000  1.0 3.0
   38    42    50    51   3.00000 -1.0 2.0
   38    42    50    53   1.63150  1.0 1.0
   38    42    50    53   2.92000 -1.0 2.0
   39    38    42    50   0.08050  1.0 3.0
   42    50    53    54   0.00000  1.0 1.0
   42    50    53    55   0.00000  1.0 1.0
   42    50    53    56   0.00000  1.0 1.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   71    52    57    58   0.15000  1.0 3.0
   71    52   -57    59   0.56750  1.0 1.0
   71    52   -57    59  -0.07550 -1.0 2.0
   71    52   -57    59   0.20000  1.0 3.0
   71    52    57    62   0.56750  1.0 1.0
   71    52    57    62  -0.07550 -1.0 2.0
   71    52    57    62   0.20000  1.0 3.0
   71    69   -38    33   0.56750  1.0 1.0
   71    69   -38    33  -0.07550 -1.0 2.0
   71    69   -38    33   0.20000  1.0 3.0
   71    69    38    39   0.15000  1.0 3.0
   71    69    38    42   0.62750  1.0 1.0
   71    69    38    42  -0.30950 -1.0 2.0
   71    69    38    42   0.27300  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   76    71    72    73   0.15000  1.0 3.0
   76    71    72    74   0.15000  1.0 3.0
   76    71    72    75   0.15000  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    66   0.56750  1.0 1.0
   62    57    59    66  -0.07550 -1.0 2.0
   62    57    59    66   0.20000  1.0 3.0
   43    37    40    41   7.00000 -1.0 2.0
   43    37    40    47   7.00000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    40   1.10000 -1.0 2.0
   47    41    40    37   1.10000 -1.0 2.0
   42    53    50    51  10.50000 -1.0 2.0
END
