* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    167    257     492
    1     0 S   NP   _N1_     1    28.80256    95.16888   -25.08602
    2     1 S   H    _HN1     2     1.02827    31.03485  -173.90960
    3     1 S   H    _H1_     3     1.02784   114.01886   -88.95310
    4     1 S   H    _H2_     4     1.02950    76.43830    15.37275
    5     1 S   CT   _CA1     5     1.50123   127.74985   120.81660
    6     5 S   HC   _HA1     6     1.09574   105.18385    89.29741
    7     5 S   CO3  _C1_     7     1.53790   112.46327   -30.89986
    8     7 S   O2Z  _O11     8     1.26373   115.00466   -42.15081
    9     7 S   O2Z  _O12     9     1.26242   114.95060   136.93407
   10     5 S   CT   _CB1    10     1.53078   107.40645  -152.74009
   11    10 S   HC   HB11    11     1.09832   109.34978   -49.74598
   12    10 S   HC   HB12    12     1.09812   110.45260    66.85838
   13    10 S   CT   _CG1    13     1.52984   112.61692  -170.73357
   14    13 S   HC   HG11    14     1.09583   110.61050   -65.92906
   15    13 S   HC   HG12    15     1.09671   109.79647    53.29794
   16    13 S   C    _CD1    16     1.51808   112.24602   173.72152
   17    16 S   O    _OE1    17     1.22729   123.29331     6.35064
   18    16 S   N    _N2_    18     1.38650   111.64962  -173.63733
   19    18 S   H    _HN2    19     1.01574   118.91262     1.70594
   20    18 S   CT1  _CA2    20     1.46202   123.43675   177.68100
   21    20 S   HC   _HA2    21     1.09737   109.37562     3.51508
   22    20 S   C    _C2_    22     1.53560   108.63375  -112.00580
   23    22 S   O    _O2_    23     1.23063   122.28075  -147.62258
   24    20 S   CT   _CB2    32     1.53320   111.53161   125.54822
   25    24 S   HC   HB21    33     1.09588   110.10420    55.98702
   26    24 S   HC   HB22    34     1.09460   110.01657   175.11036
   27    22 S   N    _N3_    24     1.38331   113.72751    39.80509
   28    27 S   H    _HN3    25     1.01580   119.58231    -3.27303
   29    24 S   S    _SG2    35     1.82641   111.48719   -65.03119
   30    27 S   CT   _CA3    26     1.45285   123.20979   177.14734
   31    30 S   HC   HA31    27     1.09549   107.50399   -64.69387
   32    30 S   HC   HA32    28     1.09557   107.99065    51.74296
   33    29 S   CT   _C15    36     1.83639    99.70113   170.67416
   34    33 S   HC   _H3_    37     1.09720   105.65077   -57.68849
   35    30 S   CO3  _C3_    29     1.52961   114.08680   173.74311
   36    35 S   O2Z  _O31    30     1.26376   116.07036    -0.75744
   37    35 S   O2Z  _O32    31     1.26429   114.41116   179.30508
   38    33 S   CT   _C14    38     1.54263   114.50178    59.77604
   39    38 S   HC   _H38    39     1.09642   111.41483   -77.79824
   40    33 S   CT   _C18    52     1.56853   115.85634  -177.01417
   41    38 S   CT   _C12    40     1.53433   103.52921   160.96816
   42    41 S   HC   _H36    41     1.09739   110.98438  -158.79537
   43    40 S   CT   _C21    53     1.54101   111.04963    96.23706
   44    43 S   HC   _H48    54     1.09310   111.58716  -173.12340
   45    43 S   HC   _H49    55     1.09299   111.65836    64.30921
   46    40 S   OH   _O24    58     1.43535   111.00534   -23.19667
   47    46 S   HO   _H55    59     0.97311   107.63489  -178.28856
   48    38 S   OS   _O26    76     1.44291   109.67491    44.85430
   49    41 S   CT   _C11    42     1.53416   113.49658    78.49975
   50    49 S   HC   _H34    43     1.09474   110.49355   -42.45923
   51    49 S   HC   _H35    44     1.09651   108.96661    74.93285
   52    43 S   OH   _O25    56     1.42624   110.37178   -55.02207
   53    52 S   HO   _H56    57     0.97236   107.15069  -178.12758
   54    48 S   CO4  _C10    77     1.35535   117.26474  -160.70179
   55    54 S   O    _O21    78     1.22061   126.45663    -1.00386
   56    49 S   CO   _C16    45     1.52914   111.67764  -162.94224
   57    56 S   HC   _H40    46     1.09664   107.89902   171.29818
   58    54 S   CA   _C8_    79     1.48454   110.03166   179.19887
   59    56 S   OS   _O22    47     1.43187   109.96350    54.47782
   60    56 S   OS   _O27    68     1.43004   109.10223   -70.93305
   61    58 S   CA   _C4_    80     1.40199   122.34407    -2.42931
   62    61 S   HA   _H30    81     1.08687   121.66560    -0.01978
   63    59 S   CO   _C17    48     1.42801   113.06687   -62.62758
   64    63 S   HC   _H41    49     1.09822   108.80386   -57.78937
   65    60 S   CT   _C22    69     1.42580   112.39409  -168.13504
   66    65 S   HC   _H50    70     1.09520   110.11404   -58.91545
   67    65 S   HC   _H51    71     1.09536   109.71394    61.25795
   68    61 S   CA   _C6_    82     1.39640   120.08293  -179.92598
   69    68 S   HA   _H32    83     1.08650   119.78098   179.96574
   70    41 S   CT   _C13    50     1.53429   102.66135   -42.68006
   71    70 S   HC   _H37    51     1.10159   107.87925   -76.79462
   72    63 S   OS   _O28    60     1.43072   112.41697  -176.67875
   73    65 S   CT   _C19    72     1.51565   108.28071  -178.85979
   74    73 S   HC   _H42    73     1.09502   110.62974   -58.98648
   75    73 S   HC   _H43    74     1.09508   110.57986    59.27348
   76    73 S   HC   _H44    75     1.09355   110.91384  -179.87646
   77    68 S   CA   _C9_    84     1.39180   119.77629     0.02798
   78    72 S   CT   _C23    61     1.42535   112.49974    66.15665
   79    78 S   HC   _H52    62     1.09512   110.03381   -60.79187
   80    78 S   HC   _H53    63     1.09541   109.83465    59.43482
   81    77 S   CA   _C7_    85     1.39249   120.75497     0.03426
   82    81 S   HA   _H33    86     1.08613   120.97570   180.00000
   83    77 S   OH   _O23    89     1.36610   118.18015  -179.98022
   84    83 S   HO   _H54    90     0.97241   108.60597   180.00000
   85    78 S   CT   _C20    64     1.51572   108.23476   179.34568
   86    85 S   HC   _H45    65     1.09504   110.61444   -59.10274
   87    85 S   HC   _H46    66     1.09508   110.59411    59.13889
   88    85 S   HC   _H47    67     1.09355   110.91773  -180.00000
   89    58 S   CA   _C5_    87     1.40184   118.12157   177.70859
   90    89 S   HA   _H31    88     1.08739   120.97866    -0.07662
  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  10   5   4   3
  18   8   2   1   1  17   7  17  17   8   9   5   4   5   1   7
  10   6   5   2   1   8   3  11   4   9   8   8   8   4   8   4
   6   5   4   7   3   3   1   7   3   2   1   1   6   6   5   4
   5   3   2   1   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    70    40    43    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    63    70    71    40    43    44    45    52    46    47    48    54  
   38    39    41    70    40    43    46    48  
   36    37  
   37  
    0  
   39    41    42    49    50    51    56    63    70    71    40    43    46    48    54    55    58  
   41    42    49    70    40    48    54  
   43    44    45    52    53    46    47    72    48    41    42    49    59    63    64    70    71  
   42    49    50    51    56    57    59    63    64    70    71    43    46    72    60    48    54  
   49    50    51    56    63    70    71    48  
   44    45    52    53    46    47    63    70    71  
   45    52    53    46    70  
   52    53    46    70  
   47    52    63    70    71  
   70  
   54    55    58    61    89    49    70  
   50    51    56    57    59    63    70    71    60    65  
   51    56    57    59    70    60  
   56    57    59    70    60  
   53    70  
    0  
   55    58    61    62    68    81    89    90  
   58    61    89  
   57    59    63    64    70    72    60    65    66    67    73  
   59    63    60    65  
   61    62    68    69    77    81    82    89    90  
   63    64    70    71    72    78    60    65  
   65    66    67    73    74    75    76    63  
   62    68    69    77    81    89    90    83  
   68    69    77    89  
   64    70    71    72    78    79    80    85  
   70    71    72    78  
   66    67    73    74    75    76  
   67    73    74    75    76  
   73    74    75    76  
   69    77    81    82    89    83    84  
   77    81    83  
   71    72    78  
   72  
   78    79    80    85    86    87    88  
   74    75    76  
   75    76  
   76  
    0  
   81    82    89    90    83    84  
   79    80    85    86    87    88  
   80    85    86    87    88  
   85    86    87    88  
   82    89    90    83    84  
   89    90    83  
   84    89  
    0  
   86    87    88  
   87    88  
   88  
    0  
   90  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    48   320.000  1.410
   41    42   340.000  1.090
   41    49   268.000  1.529
   41    70   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   250.000  1.527
   56    57   340.000  1.090
   56    59   320.000  1.380
   56    60   320.000  1.380
   59    63   320.000  1.380
   63    64   340.000  1.090
   63    70   250.000  1.527
   63    72   320.000  1.380
   70    71   340.000  1.090
   70    40   268.000  1.529
   40    43   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   320.000  1.410
   52    53   553.000  0.945
   46    47   553.000  0.945
   72    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   60    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   48    54   214.000  1.327
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    61   469.000  1.400
   58    89   469.000  1.400
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    77   469.000  1.400
   77    81   469.000  1.400
   77    83   450.000  1.364
   81    82   367.000  1.080
   81    89   469.000  1.400
   89    90   367.000  1.080
   83    84   553.000  0.945
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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    40    70    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    58.35000  112.70000
   38    41    70    58.35000  112.70000
   38    48    54    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    56    75.00000  109.43000
   41    70    63    75.00000  109.43000
   41    70    71    37.50000  110.70000
   41    70    40    58.35000  112.70000
   49    41    42    37.50000  110.70000
   49    56    57    45.00000  112.01100
   49    56    59    90.00000  108.56700
   49    56    60    90.00000  108.56700
   51    49    50    33.00000  107.80000
   56    49    50    45.00000  108.72000
   56    49    51    45.00000  108.72000
   56    59    63   100.00000  109.58800
   56    60    65    60.00000  109.50000
   59    56    57    35.00000  109.50000
   59    63    64    35.00000  109.50000
   59    63    70    90.00000  108.56700
   59    63    72    92.60000  111.55000
   63    70    71    45.00000  108.72000
   63    70    40    75.00000  109.43000
   63    72    78    60.00000  109.50000
   70    41    42    37.50000  110.70000
   70    41    49    58.35000  112.70000
   70    63    64    45.00000  112.01100
   70    40    43    58.35000  112.70000
   70    40    46    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    70    71    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    52    50.00000  109.50000
   40    46    47    55.00000  108.50000
   43    52    53    55.00000  108.50000
   45    43    44    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    45    35.00000  109.50000
   46    40    43    50.00000  109.50000
   72    63    64    35.00000  109.50000
   72    63    70    90.00000  108.56700
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    85    50.00000  109.50000
   78    85    86    37.50000  110.70000
   78    85    87    37.50000  110.70000
   78    85    88    37.50000  110.70000
   80    78    79    33.00000  107.80000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    59    92.60000  111.55000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    73    50.00000  109.50000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    76    37.50000  110.70000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   48    38    39    35.00000  109.50000
   48    38    41    50.00000  109.50000
   48    54    55    83.00000  123.40000
   48    54    58    81.00000  111.40000
   54    58    61    60.00000  119.52600
   54    58    89    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    61    62    35.00000  120.00000
   58    61    68    63.00000  120.00000
   58    89    81    63.00000  120.00000
   58    89    90    35.00000  120.00000
   61    68    69    35.00000  120.00000
   61    68    77    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    77    81    63.00000  120.00000
   68    77    83    70.00000  120.00000
   77    68    69    35.00000  120.00000
   77    81    82    35.00000  120.00000
   77    81    89    63.00000  120.00000
   77    83    84    35.00000  113.00000
   81    89    90    35.00000  120.00000
   89    58    61    63.00000  120.00000
   89    81    82    35.00000  120.00000
   83    77    81    70.00000  120.00000
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   0.32350  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.56750  1.0 1.0
   33    38    41    49  -0.07550 -1.0 2.0
   33    38    41    49   0.20000  1.0 3.0
   33    38   -41    70   0.56750  1.0 1.0
   33    38   -41    70  -0.07550 -1.0 2.0
   33    38   -41    70   0.20000  1.0 3.0
   33    38    48    54  -0.25900  1.0 1.0
   33    38    48    54  -0.47000 -1.0 2.0
   33    38    48    54   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    52   0.86500  1.0 1.0
   33    40    43    52  -0.17500 -1.0 2.0
   33    40    43    52   0.20800  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    40    70   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33   -40    70   0.56750  1.0 1.0
   38    33   -40    70  -0.07550 -1.0 2.0
   38    33   -40    70   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    46   0.86500  1.0 1.0
   38    33    40    46  -0.17500 -1.0 2.0
   38    33    40    46   0.20800  1.0 3.0
   38    41    49    50   0.15000  1.0 3.0
   38    41    49    51   0.15000  1.0 3.0
   38    41    49    56   3.97050  1.0 1.0
   38    41    70    63   3.97050  1.0 1.0
   38    41    70    71   0.15000  1.0 3.0
   38    41   -70    40   0.56750  1.0 1.0
   38    41   -70    40  -0.07550 -1.0 2.0
   38    41   -70    40   0.20000  1.0 3.0
   38    48    54    55   3.00000 -1.0 2.0
   38    48    54    58   0.59950  1.0 1.0
   38    48    54    58   3.24850 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    70   0.15000  1.0 3.0
   39    38    48    54   0.08050  1.0 3.0
   41    38    48    54  -0.25900  1.0 1.0
   41    38    48    54  -0.47000 -1.0 2.0
   41    38    48    54   0.11750  1.0 3.0
   41    49    56    57   0.15000  1.0 3.0
   41    49    56    59   0.62750  1.0 1.0
   41    49    56    59  -0.30950 -1.0 2.0
   41    49    56    59   0.27300  1.0 3.0
   41    49    56    60   0.62750  1.0 1.0
   41    49    56    60  -0.30950 -1.0 2.0
   41    49    56    60   0.27300  1.0 3.0
   41    70   -40    33   0.56750  1.0 1.0
   41    70   -40    33  -0.07550 -1.0 2.0
   41    70   -40    33   0.20000  1.0 3.0
   41    70    40    43   0.56750  1.0 1.0
   41    70    40    43  -0.07550 -1.0 2.0
   41    70    40    43   0.20000  1.0 3.0
   41    70    40    46   0.86500  1.0 1.0
   41    70    40    46  -0.17500 -1.0 2.0
   41    70    40    46   0.20800  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    56   0.15000  1.0 3.0
   42    41    70    63   0.15000  1.0 3.0
   42    41    70    71   0.15000  1.0 3.0
   42    41    70    40   0.15000  1.0 3.0
   49    41    70    63   3.97050  1.0 1.0
   49    41    70    71   0.15000  1.0 3.0
   49    41    70    40   0.56750  1.0 1.0
   49    41    70    40  -0.07550 -1.0 2.0
   49    41    70    40   0.20000  1.0 3.0
   49    56   -59    63   0.06250  1.0 1.0
   49    56   -59    63  -0.01100 -1.0 2.0
   49    56   -59    63   0.28050  1.0 3.0
   49    56    60    65   0.06250  1.0 1.0
   49    56    60    65  -0.01100 -1.0 2.0
   49    56    60    65   0.28050  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    59   0.23400  1.0 3.0
   50    49    56    60   0.23400  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    59   0.23400  1.0 3.0
   51    49    56    60   0.23400  1.0 3.0
   56    59    63    64   0.37050  1.0 3.0
   56    59    63    70   0.06250  1.0 1.0
   56    59    63    70  -0.01100 -1.0 2.0
   56    59    63    70   0.28050  1.0 3.0
   56    59    63    72  -0.81800  1.0 1.0
   56    60    65    66   0.37050  1.0 3.0
   56    60    65    67   0.37050  1.0 3.0
   56    60    65    73   0.06250  1.0 1.0
   56    60    65    73  -0.01100 -1.0 2.0
   56    60    65    73   0.28050  1.0 3.0
   57    56    59    63   0.37050  1.0 3.0
   57    56    60    65   0.37050  1.0 3.0
   59    56    60    65  -0.53350  1.0 1.0
   59    56    60    65  -0.78350 -1.0 2.0
   59    56    60    65   0.33750  1.0 3.0
   59    63   -70    41   0.62750  1.0 1.0
   59    63   -70    41  -0.30950 -1.0 2.0
   59    63   -70    41   0.27300  1.0 3.0
   59    63    70    71   0.23400  1.0 3.0
   59    63    70    40   0.62750  1.0 1.0
   59    63    70    40  -0.30950 -1.0 2.0
   59    63    70    40   0.27300  1.0 3.0
   59    63    72    78  -0.53350  1.0 1.0
   59    63    72    78  -0.78350 -1.0 2.0
   59    63    72    78   0.33750  1.0 3.0
   63    70    40    33   3.97050  1.0 1.0
   63    70    40    43   3.97050  1.0 1.0
   63    70    40    46   0.86500  1.0 1.0
   63    70    40    46  -0.17500 -1.0 2.0
   63    70    40    46   0.20800  1.0 3.0
   63    72    78    79   0.37050  1.0 3.0
   63    72    78    80   0.37050  1.0 3.0
   63    72    78    85   0.06250  1.0 1.0
   63    72    78    85  -0.01100 -1.0 2.0
   63    72    78    85   0.28050  1.0 3.0
   64    63    70    41   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    40   0.15000  1.0 3.0
   64    63    72    78   0.37050  1.0 3.0
   70    41    49    50   0.15000  1.0 3.0
   70    41    49    51   0.15000  1.0 3.0
   70    41   -49    56   3.97050  1.0 1.0
   70    63    72    78   0.06250  1.0 1.0
   70    63    72    78  -0.01100 -1.0 2.0
   70    63    72    78   0.28050  1.0 3.0
   70    40    43    44   0.15000  1.0 3.0
   70    40    43    45   0.15000  1.0 3.0
   70    40    43    52   0.86500  1.0 1.0
   70    40    43    52  -0.17500 -1.0 2.0
   70    40    43    52   0.20800  1.0 3.0
   70    40    46    47  -0.11600  1.0 1.0
   70    40    46    47  -0.09450 -1.0 2.0
   70    40    46    47   0.21250  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    43   0.15000  1.0 3.0
   71    70    40    46   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.56750  1.0 1.0
   40    33   -38    41  -0.07550 -1.0 2.0
   40    33   -38    41   0.20000  1.0 3.0
   40    33    38    48   0.62750  1.0 1.0
   40    33    38    48  -0.30950 -1.0 2.0
   40    33    38    48   0.27300  1.0 3.0
   40    43    52    53  -0.11600  1.0 1.0
   40    43    52    53  -0.09450 -1.0 2.0
   40    43    52    53   0.21250  1.0 3.0
   43    40    46    47  -0.11600  1.0 1.0
   43    40    46    47  -0.09450 -1.0 2.0
   43    40    46    47   0.21250  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   45    43    52    53   0.19450  1.0 3.0
   46    40    43    44   0.23400  1.0 3.0
   46    40    43    45   0.23400  1.0 3.0
   46    40    43    52   3.75450  1.0 1.0
   72    63    70    41   0.62750  1.0 1.0
   72    63    70    41  -0.30950 -1.0 2.0
   72    63    70    41   0.27300  1.0 3.0
   72    63    70    71   0.23400  1.0 3.0
   72    63    70    40   0.62750  1.0 1.0
   72    63    70    40  -0.30950 -1.0 2.0
   72    63    70    40   0.27300  1.0 3.0
   72    78    85    86   0.23400  1.0 3.0
   72    78    85    87   0.23400  1.0 3.0
   72    78    85    88   0.23400  1.0 3.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    87   0.15000  1.0 3.0
   79    78    85    88   0.15000  1.0 3.0
   80    78    85    86   0.15000  1.0 3.0
   80    78    85    87   0.15000  1.0 3.0
   80    78    85    88   0.15000  1.0 3.0
   60    56    59    63  -0.81800  1.0 1.0
   60    65    73    74   0.23400  1.0 3.0
   60    65    73    75   0.23400  1.0 3.0
   60    65    73    76   0.23400  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    76   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.15000  1.0 3.0
   67    65    73    76   0.15000  1.0 3.0
   48    38    41    42   0.23400  1.0 3.0
   48    38    41    49   0.62750  1.0 1.0
   48    38    41    49  -0.30950 -1.0 2.0
   48    38    41    49   0.27300  1.0 3.0
   48    38    41    70   0.62750  1.0 1.0
   48    38    41    70  -0.30950 -1.0 2.0
   48    38    41    70   0.27300  1.0 3.0
   48    54    58    61   0.98750 -1.0 2.0
   48    54    58    89   0.98750 -1.0 2.0
   54    58    61    62   3.62500 -1.0 2.0
   54    58    61    68   3.62500 -1.0 2.0
   54    58    89    81   3.62500 -1.0 2.0
   54    58    89    90   3.62500 -1.0 2.0
   55    54    58    61   1.05000 -1.0 2.0
   55    54    58    89   1.05000 -1.0 2.0
   58    61    68    69   3.62500 -1.0 2.0
   58    61    68    77   3.62500 -1.0 2.0
   61    58    89    81   3.62500 -1.0 2.0
   61    58    89    90   3.62500 -1.0 2.0
   61    68   -77    81   3.62500 -1.0 2.0
   61    68    77    83   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    77   3.62500 -1.0 2.0
   68    77    81    82   3.62500 -1.0 2.0
   68    77    81    89   3.62500 -1.0 2.0
   68    77    83    84   0.84100 -1.0 2.0
   69    68    77    81   3.62500 -1.0 2.0
   69    68    77    83   3.62500 -1.0 2.0
   77    81   -89    58   3.62500 -1.0 2.0
   77    81    89    90   3.62500 -1.0 2.0
   81    77    83    84   0.84100 -1.0 2.0
   82    81    89    58   3.62500 -1.0 2.0
   82    81    89    90   3.62500 -1.0 2.0
   89    58    61    62   3.62500 -1.0 2.0
   89    58   -61    68   3.62500 -1.0 2.0
   83    77    81    82   3.62500 -1.0 2.0
   83    77    81    89   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   48    58    54    55  10.50000 -1.0 2.0
   61    89    58    54   4.00000 -1.0 2.0
   68    62    61    58   1.10000 -1.0 2.0
   77    69    68    61   1.10000 -1.0 2.0
   81    83    77    68   4.00000 -1.0 2.0
   89    82    81    77   1.10000 -1.0 2.0
   81    90    89    58   1.10000 -1.0 2.0
END
