* LIGAND DATABASE FILE (OPLS2005)
*
001      94    95    164    243     473
    1     0 S   NP   _N1_     1    31.05209    92.73910   -15.27936
    2     1 S   H    _HN1     2     1.02832    93.04348   -30.15524
    3     1 S   H    _H1_     3     1.03088   145.19061    96.04685
    4     1 S   H    _H2_     4     1.02797    38.70945    85.69578
    5     1 S   CT   _CA1     5     1.50542    85.67349  -142.59031
    6     5 S   HC   _HA1     6     1.09598   104.67555    35.94136
    7     5 S   CO3  _C1_     7     1.54250   113.29829   -81.76397
    8     7 S   O2Z  _O11     8     1.26404   115.20529    -6.15460
    9     7 S   O2Z  _O12     9     1.26251   115.44195   172.18299
   10     5 S   CT   _CB1    10     1.53100   106.66044   153.01503
   11    10 S   HC   HB11    11     1.09844   109.15653   -45.14985
   12    10 S   HC   HB12    12     1.09644   109.65533    70.92335
   13    10 S   CT   _CG1    13     1.52924   114.14866  -167.08149
   14    13 S   HC   HG11    14     1.09416   110.87669   -80.46934
   15    13 S   HC   HG12    15     1.09588   110.89123    39.37593
   16    13 S   C    _CD1    16     1.51421   110.79380   159.00658
   17    16 S   O    _OE1    17     1.22841   121.55553  -111.68906
   18    16 S   N    _N2_    18     1.38446   113.07512    67.83003
   19    18 S   H    _HN2    19     1.01486   119.09826     4.45720
   20    18 S   CT1  _CA2    20     1.46007   123.10402  -176.38220
   21    20 S   HC   _HA2    21     1.09716   109.01637     1.87409
   22    20 S   C    _C2_    22     1.53486   110.04914  -114.32521
   23    22 S   O    _O2_    23     1.23134   121.59339  -154.91168
   24    20 S   CT   _CB2    32     1.53517   111.93175   123.19663
   25    24 S   HC   HB21    33     1.09618   110.22058    66.82553
   26    24 S   HC   HB22    34     1.09574   109.93283  -175.92705
   27    22 S   N    _N3_    24     1.38297   114.23904    32.07442
   28    27 S   H    _HN3    25     1.01477   119.05396    -1.64616
   29    24 S   S    _SG2    35     1.82875   112.86979   -56.47091
   30    27 S   CT   _CA3    26     1.45413   123.23969   173.87433
   31    30 S   HC   HA31    27     1.09508   109.59860    19.54377
   32    30 S   HC   HA32    28     1.09332   106.63290   136.38022
   33    29 S   CT   _C28    36     1.81953    98.76386   119.18912
   34    33 S   HC   _H29    37     1.09472   108.67348    67.83097
   35    33 S   HC   _H30    38     1.09290   108.46417   -49.47758
   36    30 S   CO3  _C3_    29     1.53046   114.34965  -102.60924
   37    36 S   O2Z  _O31    30     1.26257   116.43550    10.65737
   38    36 S   O2Z  _O32    31     1.26526   114.25541  -169.55543
   39    33 S   CM   _C27    39     1.50187   110.21005  -172.89096
   40    39 S   HC   _H28    40     1.09094   115.25467   -58.15418
   41    39 S   CMA  _C26    41     1.35561   126.54989   124.05367
   42    41 S   OM   _O38    42     1.26610   124.81019  -179.56795
   43    41 S   OS   _O37    43     1.40781   112.71590    -2.99016
   44    43 S   CT   _C25    44     1.43641   112.49040   107.36075
   45    44 S   HC   _H26    45     1.09648   109.75451   -56.48754
   46    44 S   HC   _H27    46     1.09561   109.95674    64.94710
   47    44 S   CT   _C24    47     1.52475   106.80427  -176.17884
   48    47 S   HC   _H24    48     1.09462   107.98333   -51.48203
   49    47 S   HC   _H25    49     1.09494   110.28480  -172.18515
   50    47 S   OS   _O36    50     1.43201   108.07825    68.86325
   51    50 S   CA   _C21    51     1.36801   117.13905  -157.35146
   52    51 S   CA   _C20    52     1.39515   115.22752   167.87574
   53    52 S   HA   _H21    53     1.08736   120.19067     1.14090
   54    52 S   CA   _C19    54     1.39777   120.57307  -177.95790
   55    54 S   HA   _H20    55     1.08799   118.33780   179.01682
   56    54 S   CA   _C18    56     1.40811   121.21523    -0.29208
   57    56 S   CA   _C23    57     1.40369   117.36328    -1.28481
   58    57 S   HA   _H23    58     1.08615   121.44074  -179.31414
   59    56 S   CT   _C5_    61     1.54634   119.89340   178.83299
   60    51 S   CA   _C22    59     1.39281   125.78824   -12.12870
   61    60 S   HA   _H22    60     1.08590   121.87544    -1.77542
   62    59 S   CA   _C7_    62     1.54537   111.25093   -55.89113
   63    59 S   CT   _C4_    87     1.55121   113.69066  -175.38960
   64    63 S   HC   _H3_    88     1.09744   111.14650   178.76838
   65    63 S   HC   _H4_    89     1.09657   111.66544   -61.87928
   66    63 S   HC   _H5_    90     1.09674   112.15783    59.09191
   67    59 S   CT   _C6_    91     1.55176   106.28512    68.26802
   68    67 S   HC   _H6_    92     1.09649   111.78463   173.03886
   69    67 S   HC   _H7_    93     1.09648   112.21610   -66.17965
   70    67 S   HC   _H8_    94     1.09741   111.08706    53.82081
   71    62 S   CA   _C8_    63     1.40239   122.76542   133.15705
   72    71 S   HA   _H9_    64     1.08569   121.55681    -0.57743
   73    71 S   CA   _C9_    65     1.39913   120.99716   179.37662
   74    73 S   HA   _H10    66     1.08785   119.15066   179.57572
   75    73 S   CA   _C10    67     1.39552   120.84485     0.54500
   76    75 S   CA   _C11    68     1.39223   119.05095    -1.34959
   77    76 S   HA   _H11    69     1.08531   122.02013  -178.74135
   78    75 S   OS   _O33    72     1.36794   115.09671   179.73166
   79    62 S   CA   _C12    70     1.40893   119.87772   -48.57429
   80    79 S   HA   _H12    71     1.08835   120.27886    -0.26614
   81    78 S   CT   _C13    73     1.43012   116.73685  -166.39260
   82    81 S   HC   _H13    74     1.09558   109.85552   -66.37607
   83    81 S   HC   _H14    75     1.09678   109.77538    55.57692
   84    81 S   CT   _C14    76     1.52376   107.97129   175.20977
   85    84 S   HC   _H15    77     1.09534   109.87940   173.46871
   86    84 S   HC   _H16    78     1.09597   110.31093    51.83649
   87    84 S   OS   _O34    79     1.43741   108.51989   -67.34964
   88    87 S   CO4  _C15    80     1.35805   115.63878   178.95432
   89    88 S   O    _O35    81     1.22087   126.90408     0.96712
   90    88 S   CM   _C16    82     1.47736   107.72243  -178.89962
   91    90 S   HC   _H17    83     1.08431   118.83907     0.85980
   92    90 S   CM   _C17    84     1.33655   120.25144  -179.25454
   93    92 S   HC   _H18    85     1.08495   120.07691  -179.94065
   94    92 S   HC   _H19    86     1.08473   122.34401     0.06561
  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   6   5   4   3
   7   4   3   2   1   1   5   3   6   2   7   7   5   4   6   3
   2   7   9   8   4   9   3  16   7   3  16   1   1  17   9   3
   2   1   5   2   1   1   8   4   7   3   9   5   3   8   1   1
   7   5   4   6   3   2   5   6   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44  
   41    42    43  
   42    43    44    45    46    47  
   43    44  
   44    45    46    47    48    49    50  
   45    46    47    48    49    50    51  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    60  
   49    50    51  
   50    51  
   51    52    53    54    57    60    61  
   52    53    54    55    56    57    58    60    61  
   53    54    55    56    57    60    61    59  
   54    55    56    60  
   55    56    57    58    60    59    62    63    67  
   56    57    59  
   57    58    60    61    59    62    71    79    63    64    65    66    67    68    69    70  
   58    60    61    59    62    63    67  
   60    61    59  
   62    71    72    73    76    79    80    63    64    65    66    67    68    69    70    60  
   61  
    0  
   71    72    73    74    75    76    77    79    80    63    64    65    66    67    68    69    70  
   64    65    66    67    68    69    70    71    79  
   65    66    67  
   66    67  
   67  
   68    69    70    71    79  
   69    70  
   70  
    0  
   72    73    74    75    76    79    80    78  
   73    74    75    79  
   74    75    76    77    79    78    81  
   75    76    78  
   76    77    79    80    78    81    82    83    84  
   77    79    80    78    81  
   79    80    78  
   81    82    83    84    85    86    87    79  
   80  
    0  
   82    83    84    85    86    87    88  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90  
   86    87    88  
   87    88  
   88    89    90    91    92  
   89    90    91    92    93    94  
   90    91    92  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   2.4200   0.0300   0.115000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   340.000  1.080
   39    41   465.000  1.376
   41    42   745.000  1.250
   41    43   440.000  1.360
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   320.000  1.410
   50    51   450.000  1.364
   51    52   469.000  1.400
   51    60   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   469.000  1.400
   56    59   317.000  1.510
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   59    62   317.000  1.510
   59    63   268.000  1.529
   59    67   268.000  1.529
   62    71   469.000  1.400
   62    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    80   367.000  1.080
   78    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.410
   87    88   214.000  1.327
   88    89   570.000  1.229
   88    90   320.000  1.462
   90    91   340.000  1.080
   90    92   549.000  1.340
   92    93   340.000  1.080
   92    94   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    35.00000  117.00000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  137.10300
   39    41    43    80.00000  120.01400
   41    39    40    40.00000  120.50800
   41    43    44    90.00000  111.18400
   43    41    42    65.00000  121.00000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    75.00000  111.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    52    70.00000  120.00000
   50    51    60    70.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    54    63.00000  120.00000
   51    60    57    63.00000  120.00000
   51    60    61    35.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    56    63.00000  120.00000
   54    52    53    35.00000  120.00000
   54    56    57    63.00000  120.00000
   54    56    59    70.00000  120.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    60    63.00000  120.00000
   56    59    62    70.00000  112.04700
   56    59    63    70.00000  112.17500
   56    59    67    70.00000  112.17500
   57    60    61    35.00000  120.00000
   60    51    52    63.00000  120.00000
   60    57    58    35.00000  120.00000
   59    56    57    70.00000  120.00000
   59    62    71    70.00000  120.00000
   59    62    79    70.00000  120.00000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    70    37.50000  110.70000
   62    71    72    35.00000  120.00000
   62    71    73    63.00000  120.00000
   62    79    76    63.00000  120.00000
   62    79    80    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    78    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    79    63.00000  120.00000
   75    78    81    75.00000  111.00000
   76    79    80    35.00000  120.00000
   79    62    71    63.00000  120.00000
   79    76    77    35.00000  120.00000
   78    75    76    70.00000  120.00000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    50.00000  109.50000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    50.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    83.00000  116.90000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   87    88    89    83.00000  123.40000
   87    88    90    90.00000  111.29400
   88    90    91    40.00000  117.72500
   88    90    92    65.00000  118.96000
   90    88    89    80.00000  123.72100
   90    92    93    35.00000  120.00000
   90    92    94    35.00000  120.00000
   92    90    91    35.00000  120.00000
   94    92    93    35.00000  117.00000
   63    59    62    70.00000  112.17500
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    59    62    70.00000  112.17500
   67    59    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    43   7.00000 -1.0 2.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.33100  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    43    44  -2.26850  1.0 1.0
   39    41    43    44   3.39050 -1.0 2.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    43   7.00000 -1.0 2.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43    44    47  -0.46850  1.0 1.0
   41    43    44    47   0.09300 -1.0 2.0
   41    43    44    47  -0.12850  1.0 3.0
   42    41    43    44   2.00000 -1.0 2.0
   43    44    47    48   0.23400  1.0 3.0
   43    44    47    49   0.23400  1.0 3.0
   43    44    47    50   1.11900  1.0 1.0
   43    44    47    50  -1.16350 -1.0 2.0
   43    44    47    50  -0.34150  1.0 3.0
   44    47    50    51  -0.32850  1.0 1.0
   44    47    50    51  -0.35800 -1.0 2.0
   44    47    50    51   0.33950  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.23400  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.23400  1.0 3.0
   47    50    51    52   1.63200 -1.0 2.0
   47    50    51    60   1.63200 -1.0 2.0
   48    47    50    51   0.08050  1.0 3.0
   49    47    50    51   0.08050  1.0 3.0
   50    51    52    53   3.62500 -1.0 2.0
   50    51    52    54   3.62500 -1.0 2.0
   50    51    60    57   3.62500 -1.0 2.0
   50    51    60    61   3.62500 -1.0 2.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    56   3.62500 -1.0 2.0
   52    51    60    57   3.62500 -1.0 2.0
   52    51    60    61   3.62500 -1.0 2.0
   52    54   -56    57   3.62500 -1.0 2.0
   52    54    56    59   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56    57    60   3.62500 -1.0 2.0
   54    56    59    62   0.04300 -1.0 2.0
   54    56    59    63   0.04150 -1.0 2.0
   54    56    59    67   0.04150 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57   -60    51   3.62500 -1.0 2.0
   56    57    60    61   3.62500 -1.0 2.0
   56    59    62    71   0.04300 -1.0 2.0
   56    59    62    79   0.04300 -1.0 2.0
   56    59    63    64   0.43200  1.0 3.0
   56    59    63    65   0.43200  1.0 3.0
   56    59    63    66   0.43200  1.0 3.0
   56    59    67    68   0.43200  1.0 3.0
   56    59    67    69   0.43200  1.0 3.0
   56    59    67    70   0.43200  1.0 3.0
   57    56    59    62   0.04300 -1.0 2.0
   57    56    59    63   0.04150 -1.0 2.0
   57    56    59    67   0.04150 -1.0 2.0
   58    57    60    51   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   60    51    52    53   3.62500 -1.0 2.0
   60    51   -52    54   3.62500 -1.0 2.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    60   3.62500 -1.0 2.0
   59    62    71    72   3.62500 -1.0 2.0
   59    62    71    73   3.62500 -1.0 2.0
   59    62    79    76   3.62500 -1.0 2.0
   59    62    79    80   3.62500 -1.0 2.0
   62    59    63    64   0.43200  1.0 3.0
   62    59    63    65   0.43200  1.0 3.0
   62    59    63    66   0.43200  1.0 3.0
   62    59    67    68   0.43200  1.0 3.0
   62    59    67    69   0.43200  1.0 3.0
   62    59    67    70   0.43200  1.0 3.0
   62    71    73    74   3.62500 -1.0 2.0
   62    71    73    75   3.62500 -1.0 2.0
   71    62    79    76   3.62500 -1.0 2.0
   71    62    79    80   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    78   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    76    79   3.62500 -1.0 2.0
   73    75    78    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76   -79    62   3.62500 -1.0 2.0
   75    76    79    80   3.62500 -1.0 2.0
   75    78    81    82   0.08050  1.0 3.0
   75    78    81    83   0.08050  1.0 3.0
   75    78    81    84  -0.32850  1.0 1.0
   75    78    81    84  -0.35800 -1.0 2.0
   75    78    81    84   0.33950  1.0 3.0
   76    75    78    81   1.63200 -1.0 2.0
   77    76    79    62   3.62500 -1.0 2.0
   77    76    79    80   3.62500 -1.0 2.0
   79    62    71    72   3.62500 -1.0 2.0
   79    62   -71    73   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    79   3.62500 -1.0 2.0
   78    81    84    85   0.23400  1.0 3.0
   78    81    84    86   0.23400  1.0 3.0
   78    81    84    87   1.11900  1.0 1.0
   78    81    84    87  -1.16350 -1.0 2.0
   78    81    84    87  -0.34150  1.0 3.0
   81    84    87    88  -0.25900  1.0 1.0
   81    84    87    88  -0.47000 -1.0 2.0
   81    84    87    88   0.11750  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.23400  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   0.23400  1.0 3.0
   84    87    88    89   3.00000 -1.0 2.0
   84    87    88    90   2.00000 -1.0 2.0
   85    84    87    88   0.08050  1.0 3.0
   86    84    87    88   0.08050  1.0 3.0
   87    88    90    91   1.63100 -1.0 2.0
   87    88    90    92  -0.56150  1.0 1.0
   87    88    90    92   2.19150 -1.0 2.0
   88    90    92    93   7.00000 -1.0 2.0
   88    90    92    94   7.00000 -1.0 2.0
   89    88    90    91   0.00000  1.0 1.0
   89    88    90    92   1.00000 -1.0 2.0
   91    90    92    93   7.00000 -1.0 2.0
   91    90    92    94   7.00000 -1.0 2.0
   63    59    62    71   0.04150 -1.0 2.0
   63    59    62    79   0.04150 -1.0 2.0
   63    59    67    68   0.15000  1.0 3.0
   63    59    67    69   0.15000  1.0 3.0
   63    59    67    70   0.15000  1.0 3.0
   67    59    62    71   0.04150 -1.0 2.0
   67    59    62    79   0.04150 -1.0 2.0
   67    59    63    64   0.15000  1.0 3.0
   67    59    63    65   0.15000  1.0 3.0
   67    59    63    66   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   42    43    41    39  15.00000 -1.0 2.0
   52    60    51    50   4.00000 -1.0 2.0
   54    53    52    51   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   57    59    56    54   4.00000 -1.0 2.0
   60    58    57    56   1.10000 -1.0 2.0
   57    61    60    51   1.10000 -1.0 2.0
   71    79    62    59   4.00000 -1.0 2.0
   73    72    71    62   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   79    77    76    75   1.10000 -1.0 2.0
   76    80    79    62   1.10000 -1.0 2.0
   87    90    88    89  10.50000 -1.0 2.0
   88    91    90    92  15.00000 -1.0 2.0
   93    94    92    90  15.00000 -1.0 2.0
END
