* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    168    244     487
    1     0 S   NP   _N1_     1    29.33680    95.09808   -22.16224
    2     1 S   H    _HN1     2     1.02866    84.18526    17.04430
    3     1 S   H    _H1_     3     1.02814    33.81580   150.90057
    4     1 S   H    _H2_     4     1.03088    92.81474   -91.50401
    5     1 S   CT   _CA1     5     1.49935   143.77535   135.18411
    6     5 S   HC   _HA1     6     1.09385   104.90015    71.47834
    7     5 S   CO3  _C1_     7     1.53751   112.55895   -47.98193
    8     7 S   O2Z  _O11     8     1.26331   115.05816   -46.57650
    9     7 S   O2Z  _O12     9     1.26311   114.87050   132.22142
   10     5 S   CT   _CB1    10     1.53180   107.59649  -170.58303
   11    10 S   HC   HB11    11     1.09751   109.86005   -45.93090
   12    10 S   HC   HB12    12     1.09787   110.48933    70.90877
   13    10 S   CT   _CG1    13     1.52836   112.14428  -166.87117
   14    13 S   HC   HG11    14     1.09477   110.29884   -61.92060
   15    13 S   HC   HG12    15     1.09400   109.78625    57.06384
   16    13 S   C    _CD1    16     1.51697   112.99516   177.04315
   17    16 S   O    _OE1    17     1.22689   123.33807    -1.85287
   18    16 S   N    _N2_    18     1.38676   111.37836   178.33881
   19    18 S   H    _HN2    19     1.01563   118.96164     2.06942
   20    18 S   CT1  _CA2    20     1.46297   123.62496  -176.40452
   21    20 S   HC   _HA2    21     1.09718   109.49971    -6.20125
   22    20 S   C    _C2_    22     1.53313   108.37793  -122.22144
   23    22 S   O    _O2_    23     1.23049   122.41760  -143.70874
   24    20 S   CT   _CB2    32     1.53573   111.01812   115.80399
   25    24 S   HC   HB21    33     1.09204   108.87786    58.29244
   26    24 S   HC   HB22    34     1.09515   110.46570   176.47941
   27    22 S   N    _N3_    24     1.38443   113.64435    43.65891
   28    27 S   H    _HN3    25     1.01618   119.63896    -3.21034
   29    24 S   S    _SG2    35     1.83017   110.81734   -64.13584
   30    27 S   CT   _CA3    26     1.45357   122.58518   177.05629
   31    30 S   HC   HA31    27     1.09563   107.76801   -58.09187
   32    30 S   HC   HA32    28     1.09572   107.59979    58.18264
   33    29 S   CT   _C24    36     1.87005   102.70175   154.28095
   34    33 S   OM   _O40    37     1.31834   108.73274    62.62366
   35    30 S   CO3  _C3_    29     1.52782   114.47444  -179.83331
   36    35 S   O2Z  _O31    30     1.26303   116.06215     5.01825
   37    35 S   O2Z  _O32    31     1.26402   114.49999  -174.99301
   38    33 S   CT   _C23    38     1.54809   113.58168   -58.99796
   39    38 S   HC   _H22    39     1.09995   109.81391   178.73886
   40    38 S   HC   _H23    40     1.09773   111.79346    63.63045
   41    33 S   S    _S1_    89     1.87482   104.96805   179.17338
   42    38 S   CO4  _C22    41     1.52915   117.74308   -59.26925
   43    42 S   O    _O39    42     1.22895   123.47074    24.33931
   44    41 S   CT   _C25    90     1.81323   102.10750   177.32746
   45    44 S   HC   _H24    91     1.09379   108.45870   172.15277
   46    44 S   HC   _H25    92     1.09247   111.59926    53.36647
   47    44 S   HC   _H26    93     1.09239   110.82731   -69.83885
   48    42 S   CT   _C21    43     1.51272   115.55010  -156.91742
   49    48 S   HC   _H20    44     1.09505   109.74870   -37.18822
   50    48 S   HC   _H21    45     1.09516   108.25568    80.01674
   51    48 S   CO4  _C20    46     1.51169   114.07001  -158.64607
   52    51 S   O    _O38    47     1.23070   120.80126  -102.08982
   53    51 S   CT   _C19    48     1.52406   116.87969    75.84559
   54    53 S   HC   _H18    49     1.09537   106.37072   -99.37570
   55    53 S   HC   _H19    50     1.09705   108.07092    14.97559
   56    53 S   CT   _C18    51     1.54635   114.05311   137.66224
   57    56 S   CM   _C13    52     1.52021   109.75011  -172.66067
   58    56 S   OH   _O41    87     1.43094   110.11669    66.79671
   59    58 S   HO   _H27    88     0.97600   109.00279    33.80419
   60    57 S   CMA  _C14    53     1.35704   125.32119    94.19949
   61    60 S   OM   _O42    54     1.26413   130.79121  -179.59026
   62    57 S   CO4  _C12    63     1.49767   117.90235   -87.17434
   63    62 S   O    _O36    64     1.22961   120.21615   -85.94985
   64    60 S   CT   _C15    55     1.52734   119.51438    -0.02798
   65    64 S   HC   _H14    56     1.09892   110.45276   123.09414
   66    64 S   HC   _H15    57     1.09883   109.98882  -116.82002
   67    62 S   CT   _C11    65     1.51020   117.05209    91.08747
   68    67 S   HC   _H12    66     1.09317   106.70012  -103.45216
   69    67 S   HC   _H13    67     1.09523   109.90449    14.07643
   70    64 S   CO4  _C16    58     1.51674   114.48424     3.50878
   71    70 S   O    _O37    59     1.23096   121.54206  -159.14540
   72    67 S   CO4  _C10    68     1.51504   115.41083   135.84582
   73    72 S   O    _O35    69     1.23028   123.01519    -7.43511
   74    56 S   CT   _C17    60     1.53256   112.72230   -51.37012
   75    74 S   HC   _H16    61     1.09794   111.33657   172.23684
   76    74 S   HC   _H17    62     1.09493   112.13867    54.05821
   77    72 S   CT   _C9_    70     1.51304   116.39508   172.09259
   78    77 S   HC   _H10    71     1.09470   108.38177    36.01575
   79    77 S   HC   _H11    72     1.09531   108.38373   152.62974
   80    77 S   CO4  _C8_    73     1.51417   114.21397   -86.31877
   81    80 S   O    _O34    74     1.22960   121.62411   -10.64337
   82    80 S   CT   _C7_    75     1.51419   115.70310   171.41064
   83    82 S   HC   _H8_    76     1.09462   108.33200   -52.42179
   84    82 S   HC   _H9_    77     1.09512   106.92219    65.49616
   85    82 S   CO4  _C6_    78     1.51525   117.01633  -172.89096
   86    85 S   O    _O33    79     1.23023   122.53355    24.35089
   87    85 S   CT   _C5_    80     1.52023   115.51777  -158.58513
   88    87 S   HC   _H6_    81     1.09497   108.20410    60.83980
   89    87 S   HC   _H7_    82     1.09511   108.11081   -56.75857
   90    87 S   CT   _C4_    83     1.51804   112.71603  -177.95005
   91    90 S   HC   _H3_    84     1.09508   111.04005    59.99953
   92    90 S   HC   _H4_    85     1.09430   110.38653  -180.00000
   93    90 S   HC   _H5_    86     1.09503   111.04622   -59.96367
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  12   6   2   1   1  10   5   4   5   7   4   3   2   1   1   8
   4   3   8   4  12   5   4  14  17   7   1  10   5   9   4   7
   4   3   8   4   3   4   3   7   4   2   1   1   8   4   3   7
   4   8   4   3   8   4   6   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    41    44    45    46    47  
   38    39    40    42    41    44  
   36    37  
   37  
    0  
   39    40    42    43    48    49    50    51    41    44  
   40    42    43    48    41  
   42    43    48    41  
   44    45    46    47    42  
   43    48    49    50    51    52    53  
   48    49    50    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55    56  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    74    58  
   53    54    55    56  
   54    55    56    57    60    70    74    75    76    62    58    59  
   55    56    57    74    58  
   56    57    74    58  
   57    60    61    64    70    71    74    75    76    62    63    67    58    59  
   60    61    64    65    66    70    74    75    76    62    63    67    68    69    72    58    59  
   59    60    62    70    74    75    76  
   74  
   61    64    65    66    70    71    74    62    63    67  
   64    65    66    70    62  
   63    67    68    69    72    73    77    64    74  
   67    68    69    72  
   65    66    70    71    74    75    76  
   66    70    71    74  
   70    71    74  
   68    69    72    73    77    78    79    80  
   69    72    73    77  
   72    73    77  
   71    74    75    76  
   74    75    76  
   73    77    78    79    80    81    82  
   77    78    79    80  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85    86    87  
   82    83    84    85  
   83    84    85    86    87    88    89    90  
   84    85    86    87  
   85    86    87  
   86    87    88    89    90    91    92    93  
   87    88    89    90  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.522
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   317.000  1.510
   56    74   268.000  1.529
   56    58   320.000  1.410
   57    60   465.000  1.376
   57    62   320.000  1.462
   60    61   745.000  1.250
   60    64   270.000  1.512
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.522
   70    71   570.000  1.229
   70    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   62    63   570.000  1.229
   62    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   570.000  1.229
   72    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.522
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   317.000  1.522
   85    86   570.000  1.229
   85    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   58    59   553.000  0.945
   41    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    44    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    75.00000  107.99600
   48    42    43    80.00000  120.40000
   48    51    52    80.00000  120.40000
   48    51    53    70.00000  116.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    63.00000  111.10000
   53    51    52    80.00000  120.40000
   53    56    57    70.00000  112.02700
   53    56    74    58.35000  112.70000
   53    56    58    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    57    60    70.00000  124.00000
   56    57    62    65.00000  116.34900
   56    74    70    63.00000  111.10000
   56    74    75    37.50000  110.70000
   56    74    76    37.50000  110.70000
   56    58    59    55.00000  108.50000
   57    60    61    65.00000  137.10300
   57    60    64    65.00000  122.18000
   57    62    63    80.00000  123.72100
   57    62    67    65.00000  118.62400
   60    64    65    45.00000  110.52000
   60    64    66    45.00000  110.52000
   60    64    70    70.00000  109.06800
   64    60    61    85.00000  112.85300
   64    70    71    80.00000  120.40000
   64    70    74    70.00000  116.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   74    56    57    70.00000  112.02700
   74    70    71    80.00000  120.40000
   76    74    75    33.00000  107.80000
   62    57    60    60.00000  125.92000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    72    75.00000  107.99600
   67    62    63    80.00000  120.40000
   67    72    73    80.00000  120.40000
   67    72    77    70.00000  116.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    75.00000  107.99600
   77    72    73    80.00000  120.40000
   77    80    81    80.00000  120.40000
   77    80    82    70.00000  116.00000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    75.00000  107.99600
   82    80    81    80.00000  120.40000
   82    85    86    80.00000  120.40000
   82    85    87    70.00000  116.00000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   85    87    88    35.00000  109.50000
   85    87    89    35.00000  109.50000
   85    87    90    63.00000  111.10000
   87    85    86    80.00000  120.40000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   58    56    57    90.00000  110.39200
   58    56    74    50.00000  109.50000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    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
   29    33    41    44   0.08500  1.0 1.0
   29    33    41    44  -0.53150 -1.0 2.0
   29    33    41    44   0.48050  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    41    44    45   0.32350  1.0 3.0
   33    41    44    46   0.32350  1.0 3.0
   33    41    44    47   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    41    44   0.13850  1.0 1.0
   34    33    41    44  -1.34450 -1.0 2.0
   34    33    41    44   0.57400  1.0 3.0
   38    33    41    44   0.01700  1.0 1.0
   38    33    41    44  -0.23550 -1.0 2.0
   38    33    41    44   0.21350  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    51   0.65300  1.0 1.0
   38    42    48    51  -0.03850 -1.0 2.0
   38    42    48    51   0.33900  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48   0.00000  1.0 1.0
   42    48    51    52   0.30150 -1.0 2.0
   42    48    51    53   0.65300  1.0 1.0
   42    48    51    53  -0.03850 -1.0 2.0
   42    48    51    53   0.33900  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    51   0.30150 -1.0 2.0
   48    51    53    54   0.00000  1.0 1.0
   48    51    53    55   0.00000  1.0 1.0
   48    51    53    56   0.60050  1.0 1.0
   48    51    53    56   0.05600 -1.0 2.0
   48    51    53    56   0.26150  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   0.00000  1.0 1.0
   51    53    56    57  -0.98800  1.0 1.0
   51    53    56    57   0.48800 -1.0 2.0
   51    53    56    57   0.76800  1.0 3.0
   51    53    56    74  -0.95700  1.0 1.0
   51    53    56    74  -0.18200 -1.0 2.0
   51    53    56    74   0.29450  1.0 3.0
   51    53    56    58  -0.09450  1.0 1.0
   51    53    56    58  -1.12950 -1.0 2.0
   51    53    56    58   0.54000  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    57    60   0.09850  1.0 1.0
   53    56    57    60   0.15250 -1.0 2.0
   53    56    57    60  -0.50650  1.0 3.0
   53    56    57    62   0.09700  1.0 1.0
   53    56    57    62   0.15600 -1.0 2.0
   53    56    57    62  -0.50800  1.0 3.0
   53    56    74    70  -0.95700  1.0 1.0
   53    56    74    70  -0.18200 -1.0 2.0
   53    56    74    70   0.29450  1.0 3.0
   53    56    74    75   0.15000  1.0 3.0
   53    56    74    76   0.15000  1.0 3.0
   53    56    58    59  -0.11600  1.0 1.0
   53    56    58    59  -0.09450 -1.0 2.0
   53    56    58    59   0.21250  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    74   0.15000  1.0 3.0
   54    53    56    58   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    74   0.15000  1.0 3.0
   55    53    56    58   0.23400  1.0 3.0
   56    57    60    61   7.00000 -1.0 2.0
   56    57    60    64   7.00000 -1.0 2.0
   56    57    62    63  -0.64400  1.0 1.0
   56    57    62    63   0.26850 -1.0 2.0
   56    57    62    67   0.25700  1.0 1.0
   56    57    62    67   0.66200 -1.0 2.0
   56    57    62    67   0.04450  1.0 3.0
   57    56    74    70  -0.98800  1.0 1.0
   57    56    74    70   0.48800 -1.0 2.0
   57    56    74    70   0.76800  1.0 3.0
   57    56    74    75   0.15000  1.0 3.0
   57    56    74    76   0.15000  1.0 3.0
   57    56    58    59  -0.07800  1.0 1.0
   57    56    58    59  -0.21500 -1.0 2.0
   57    56    58    59  -0.03150  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    66   0.00000  1.0 1.0
   57    60   -64    70  -0.51250  1.0 1.0
   57    60   -64    70  -0.88800 -1.0 2.0
   57    60   -64    70   0.08850  1.0 3.0
   57    62    67    68   0.00000  1.0 1.0
   57    62    67    69   0.00000  1.0 1.0
   57    62    67    72   0.65300  1.0 1.0
   57    62    67    72  -0.03850 -1.0 2.0
   57    62    67    72   0.33900  1.0 3.0
   60    57    62    63   1.00000 -1.0 2.0
   60    57    62    67  -0.33500  1.0 1.0
   60    57    62    67   1.06600 -1.0 2.0
   60    57    62    67  -0.14000  1.0 3.0
   60    64    70    71   0.30150 -1.0 2.0
   60    64    70    74   0.65300  1.0 1.0
   60    64    70    74  -0.03850 -1.0 2.0
   60    64    70    74   0.33900  1.0 3.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   61    60    64    70   0.09700  1.0 1.0
   61    60    64    70   0.15600 -1.0 2.0
   61    60    64    70  -0.50800  1.0 3.0
   64    70   -74    56   0.60050  1.0 1.0
   64    70   -74    56   0.05600 -1.0 2.0
   64    70   -74    56   0.26150  1.0 3.0
   64    70    74    75   0.00000  1.0 1.0
   64    70    74    76   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    74   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   66    64    70    74   0.00000  1.0 1.0
   71    70    74    56   0.30150 -1.0 2.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   74    56   -57    60   0.09850  1.0 1.0
   74    56   -57    60   0.15250 -1.0 2.0
   74    56   -57    60  -0.50650  1.0 3.0
   74    56    57    62   0.09700  1.0 1.0
   74    56    57    62   0.15600 -1.0 2.0
   74    56    57    62  -0.50800  1.0 3.0
   74    56    58    59  -0.11600  1.0 1.0
   74    56    58    59  -0.09450 -1.0 2.0
   74    56    58    59   0.21250  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    64   7.00000 -1.0 2.0
   62    67    72    73   0.30150 -1.0 2.0
   62    67    72    77   0.65300  1.0 1.0
   62    67    72    77  -0.03850 -1.0 2.0
   62    67    72    77   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    72   0.30150 -1.0 2.0
   67    72    77    78   0.00000  1.0 1.0
   67    72    77    79   0.00000  1.0 1.0
   67    72    77    80   0.65300  1.0 1.0
   67    72    77    80  -0.03850 -1.0 2.0
   67    72    77    80   0.33900  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    77   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    77   0.00000  1.0 1.0
   72    77    80    81   0.30150 -1.0 2.0
   72    77    80    82   0.65300  1.0 1.0
   72    77    80    82  -0.03850 -1.0 2.0
   72    77    80    82   0.33900  1.0 3.0
   73    72    77    78   0.00000  1.0 1.0
   73    72    77    79   0.00000  1.0 1.0
   73    72    77    80   0.30150 -1.0 2.0
   77    80    82    83   0.00000  1.0 1.0
   77    80    82    84   0.00000  1.0 1.0
   77    80    82    85   0.65300  1.0 1.0
   77    80    82    85  -0.03850 -1.0 2.0
   77    80    82    85   0.33900  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    82   0.00000  1.0 1.0
   80    82    85    86   0.30150 -1.0 2.0
   80    82    85    87   0.65300  1.0 1.0
   80    82    85    87  -0.03850 -1.0 2.0
   80    82    85    87   0.33900  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.00000  1.0 1.0
   81    80    82    85   0.30150 -1.0 2.0
   82    85    87    88   0.00000  1.0 1.0
   82    85    87    89   0.00000  1.0 1.0
   82    85    87    90   0.60050  1.0 1.0
   82    85    87    90   0.05600 -1.0 2.0
   82    85    87    90   0.26150  1.0 3.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   84    82    85    86   0.00000  1.0 1.0
   84    82    85    87   0.00000  1.0 1.0
   85    87    90    91  -0.11250  1.0 3.0
   85    87    90    92  -0.11250  1.0 3.0
   85    87    90    93  -0.11250  1.0 3.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.00000  1.0 1.0
   86    85    87    90   0.30150 -1.0 2.0
   88    87    90    91   0.15000  1.0 3.0
   88    87    90    92   0.15000  1.0 3.0
   88    87    90    93   0.15000  1.0 3.0
   89    87    90    91   0.15000  1.0 3.0
   89    87    90    92   0.15000  1.0 3.0
   89    87    90    93   0.15000  1.0 3.0
   58    56    57    60   0.67800  1.0 1.0
   58    56    57    60   0.47050 -1.0 2.0
   58    56    57    60  -0.62500  1.0 3.0
   58    56    57    62   0.09700  1.0 1.0
   58    56    57    62   0.15600 -1.0 2.0
   58    56    57    62  -0.50800  1.0 3.0
   58    56    74    70  -0.09450  1.0 1.0
   58    56    74    70  -1.12950 -1.0 2.0
   58    56    74    70   0.54000  1.0 3.0
   58    56    74    75   0.23400  1.0 3.0
   58    56    74    76   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    48    42    43  10.50000 -1.0 2.0
   48    53    51    52  10.50000 -1.0 2.0
   56    62    57    60   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   64    74    70    71  10.50000 -1.0 2.0
   57    67    62    63  10.50000 -1.0 2.0
   67    77    72    73  10.50000 -1.0 2.0
   77    82    80    81  10.50000 -1.0 2.0
   82    87    85    86  10.50000 -1.0 2.0
END
