* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    161    254     470
    1     0 S   NP   _N1_     1    28.70429    95.31457   -20.55501
    2     1 S   H    _HN1     2     1.02838    34.03533   162.24969
    3     1 S   H    _H1_     3     1.02777    84.19024   -63.12516
    4     1 S   H    _H2_     4     1.02962    92.58330    45.05270
    5     1 S   CT   _CA1     5     1.50127   144.18270   176.24000
    6     5 S   HC   _HA1     6     1.09579   105.21419    50.75094
    7     5 S   CO3  _C1_     7     1.53824   112.33490   -69.35048
    8     7 S   O2Z  _O11     8     1.26343   114.95889   -44.28443
    9     7 S   O2Z  _O12     9     1.26245   114.87854   134.71428
   10     5 S   CT   _CB1    10     1.53103   107.40956   168.55621
   11    10 S   HC   HB11    11     1.09810   109.29782   -51.13384
   12    10 S   HC   HB12    12     1.09823   110.45170    65.44121
   13    10 S   CT   _CG1    13     1.52957   112.61848  -172.34006
   14    13 S   HC   HG11    14     1.09497   110.15377   -62.64445
   15    13 S   HC   HG12    15     1.09634   110.19001    56.38103
   16    13 S   C    _CD1    16     1.51824   112.32821   176.47186
   17    16 S   O    _OE1    17     1.22723   123.18690   -13.79560
   18    16 S   N    _N2_    18     1.38572   111.68521   167.24009
   19    18 S   H    _HN2    19     1.01596   118.90948     0.19881
   20    18 S   CT1  _CA2    20     1.46262   123.59662  -179.50822
   21    20 S   HC   _HA2    21     1.09731   109.38534   -17.79318
   22    20 S   C    _C2_    22     1.53431   107.99052  -133.43732
   23    22 S   O    _O2_    23     1.23006   122.33718  -144.60056
   24    20 S   CT   _CB2    32     1.53493   111.28661   104.69419
   25    24 S   HC   HB21    33     1.09321   109.16882    51.99872
   26    24 S   HC   HB22    34     1.09499   110.49561   170.40097
   27    22 S   N    _N3_    24     1.38529   113.26846    42.70243
   28    27 S   H    _HN3    25     1.01534   118.93512    -0.44323
   29    24 S   S    _SG2    35     1.82943   111.58908   -70.81508
   30    27 S   CT   _CA3    26     1.45445   123.36866   175.04251
   31    30 S   HC   HA31    27     1.09528   109.14276    26.14142
   32    30 S   HC   HA32    28     1.09492   107.14473   143.14838
   33    29 S   CT   _C19    36     1.84988   101.98524   151.71586
   34    33 S   HC   _H3_    37     1.09407   104.40154   176.43690
   35    30 S   CO3  _C3_    29     1.52937   113.18341   -97.25582
   36    35 S   O2Z  _O31    30     1.26396   115.44009   -43.16927
   37    35 S   O2Z  _O32    31     1.26358   114.94864   137.75792
   38    33 S   C5X  _C10    38     1.49968   108.99474    61.88281
   39    33 S   CT   _C20    74     1.54942   113.74892   -66.53093
   40    39 S   HC   _H4_    75     1.09704   110.38472    66.52815
   41    38 S   C5X  _C9_    39     1.37733   130.27075   -95.93804
   42    41 S   HA   _H15    40     1.07348   134.73146    -0.67115
   43    39 S   CO3  _C26    76     1.54805   107.83773  -175.70003
   44    43 S   O2Z  _O36    77     1.26191   116.13983    60.30746
   45    43 S   O2Z  _O35    78     1.26482   114.30241  -118.68114
   46    39 S   CT   _C21    79     1.54290   113.38106   -56.70912
   47    46 S   HC   _H22    80     1.09759   110.60892   -61.84267
   48    46 S   HC   _H23    81     1.09592   110.47128    54.89141
   49    41 S   N5P  _N4_    41     1.36167   107.89819   178.62898
   50    49 S   H    _H14    42     1.01621   125.03649  -179.49876
   51    46 S   C5A  _C22    82     1.50521   112.71378   173.55120
   52    49 S   CRP  _C8_    43     1.33835   110.50101     0.13706
   53    51 S   C5B  _C23    83     1.38125   128.05874   -67.36096
   54    53 S   HA   _H24    84     1.08245   123.37228     0.83063
   55    38 S   N5P  _N5_    44     1.41621   124.46533    83.95605
   56    52 S   CT   _C7_    61     1.49680   123.49407  -178.57646
   57    56 S   HC   _H12    62     1.09192   107.90964  -158.46589
   58    56 S   HC   _H13    63     1.09575   104.45221   -44.57331
   59    53 S   C5B  _C24    85     1.42386   112.42788  -178.87883
   60    59 S   HA   _H25    86     1.08214   124.61497   179.69099
   61    55 S   CT   _C11    45     1.47199   125.84288     0.08393
   62    61 S   HC   _H16    46     1.09492   108.05701   -42.11756
   63    61 S   HC   _H17    47     1.09317   110.19275  -157.75850
   64    56 S   CT   _C6_    64     1.52315   115.17064    75.92064
   65    64 S   HC   _H10    65     1.09675   109.40818   -55.93404
   66    64 S   HC   _H11    66     1.09647   108.79000  -172.71040
   67    59 S   C5A  _C25    87     1.37627   111.97152     0.06853
   68    67 S   HA   _H26    88     1.08072   127.63970   179.74977
   69    61 S   CA   _C12    48     1.50640   111.55433    80.51927
   70    64 S   CT   _C5_    67     1.52865   112.50751    65.85110
   71    70 S   HC   _H8_    68     1.09585   110.21174   -59.86716
   72    70 S   HC   _H9_    69     1.09600   109.83138    58.19052
   73    51 S   SA   _S1_    89     1.71376   120.50495   113.99250
   74    69 S   CA   _C13    49     1.40077   119.51048  -137.56350
   75    74 S   HA   _H18    50     1.08763   120.42197     2.15404
   76    70 S   CT   _C4_    70     1.52062   111.42635   179.14682
   77    76 S   HC   _H5_    71     1.09467   111.01414   -60.17759
   78    76 S   HC   _H6_    72     1.09450   110.25011  -179.91607
   79    76 S   HC   _H7_    73     1.09469   110.98977    60.35927
   80    74 S   CA   _C14    51     1.39844   120.89197  -177.92859
   81    80 S   HA   _H19    52     1.08762   118.48076  -179.69674
   82    80 S   CA   _C15    53     1.40165   120.89959     0.55638
   83    82 S   CA   _C16    54     1.40211   118.07907    -0.15451
   84    83 S   HA   _H20    55     1.08772   120.55719   179.95154
   85    82 S   CO3  _C18    58     1.50909   120.94801   179.49681
   86    85 S   O2Z  _O34    59     1.27108   117.30085  -178.66572
   87    85 S   O2Z  _O33    60     1.27116   117.29097     1.03948
   88    69 S   CA   _C17    56     1.39911   122.08335    45.54502
   89    88 S   HA   _H21    57     1.08601   120.86495    -2.16745
  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   9   5   4   3
  17   7   2   1   1  15  12   7   7   4   6   2   1   8   4   3
   8   3   7  12   6   4  10  10   5   4   4   3   9   4   3   9
   5   4   2   1   9   6   5   4   1   8   4   3   2   1   1   8
   3   7   6   3   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    52    55    61    39    40    43    44    45    46    47    48    51  
   38    41    55    39    40    43    46  
   36    37  
   37  
    0  
   41    42    49    50    52    55    61    62    63    69    56    39    40    43    46  
   40    43    44    45    46    47    48    51    53    73    41    55  
   43    44    45    46    47    48    51  
   42    49    50    52    55    61    56  
   49    50    52    55  
   44    45    46    47    48    51  
   45    46  
   46  
   47    48    51    53    54    59    67    73  
   48    51    53    73  
   51    53    73  
   50    52    55    61    56    57    58    64  
   52    55    56  
   53    54    59    60    67    68    73  
   55    61    62    63    69    56    57    58    64    65    66    70  
   54    59    60    67    68    73  
   59    60    67    73  
   61    62    63    69    74    88    56    57    58    64  
   57    58    64    65    66    70    71    72    76    61  
   58    64    65    66    70  
   64    65    66    70  
   60    67    68    73  
   67    68    73  
   62    63    69    74    75    80    83    88    89  
   63    69    74    88  
   69    74    88  
   65    66    70    71    72    76    77    78    79  
   66    70    71    72    76  
   70    71    72    76  
   68    73  
   73  
   74    75    80    81    82    83    84    88    89  
   71    72    76    77    78    79  
   72    76    77    78    79  
   76    77    78    79  
    0  
   75    80    81    82    83    88    89    85  
   80    81    82    88  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    88    85    86    87  
   82    83    85  
   83    84    88    89    85    86    87  
   84    88    89    85    86    87  
   88    89    85  
   86    87    88  
   87  
    0  
   89  
    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   0.222500   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   3.5500   0.0700  -0.031100   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700   0.055400   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.182200   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.232400   1.9750   1.7500   0.001000000  -0.511443539
   50   0.0000   0.0000   0.379700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.178700   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.222800   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700   0.070900   1.8650   1.6500   0.001000000  -0.511443539
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.325500   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.261800   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5600   0.3950   0.032800   2.0080   1.7800   0.025682759  -1.666211680
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   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   295.000  1.488
   33    39   268.000  1.529
   38    41   520.000  1.370
   38    55   455.000  1.369
   41    42   367.000  1.080
   41    49   455.000  1.369
   49    50   505.000  1.012
   49    52   520.000  1.338
   52    55   520.000  1.338
   52    56   290.000  1.488
   55    61   300.000  1.456
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   317.000  1.510
   69    74   469.000  1.400
   69    88   469.000  1.400
   74    75   367.000  1.080
   74    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   469.000  1.400
   82    85   400.000  1.490
   83    84   367.000  1.080
   83    88   469.000  1.400
   88    89   367.000  1.080
   85    86   656.000  1.250
   85    87   656.000  1.250
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    46   268.000  1.529
   43    44   656.000  1.250
   43    45   656.000  1.250
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   295.000  1.489
   51    53   520.000  1.370
   51    73   265.000  1.745
   53    54   367.000  1.080
   53    59   400.000  1.425
   59    60   367.000  1.080
   59    67   520.000  1.370
   67    68   367.000  1.080
   67    73   265.000  1.745
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    55.00000  134.05000
   33    38    55    65.00000  124.50300
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  109.69300
   33    39    46    58.35000  112.70000
   38    33    34    45.00000  109.40800
   38    41    42    35.00000  130.70000
   38    41    49    90.00000  106.19800
   38    55    52    85.00000  110.35700
   38    55    61    60.00000  126.76000
   41    49    50    40.00000  124.45100
   41    49    52    85.00000  110.35700
   49    41    42    40.00000  122.05800
   49    52    55   100.00000  107.19100
   49    52    56    60.00000  125.91000
   52    49    50    45.00000  124.15700
   52    55    61    65.00000  121.70000
   52    56    57    45.00000  106.72000
   52    56    58    45.00000  106.72000
   52    56    64    70.00000  112.17500
   55    38    41    90.00000  106.19800
   55    61    62    50.00000  107.70000
   55    61    63    50.00000  107.70000
   55    61    69    75.00000  110.34000
   61    69    74    70.00000  120.00000
   61    69    88    70.00000  120.00000
   63    61    62    33.00000  107.80000
   69    61    62    35.00000  109.50000
   69    61    63    35.00000  109.50000
   69    74    75    35.00000  120.00000
   69    74    80    63.00000  120.00000
   69    88    83    63.00000  120.00000
   69    88    89    35.00000  120.00000
   74    80    81    35.00000  120.00000
   74    80    82    63.00000  120.00000
   80    74    75    35.00000  120.00000
   80    82    83    63.00000  120.00000
   80    82    85    85.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  120.00000
   82    83    88    63.00000  120.00000
   82    85    86    80.00000  120.40000
   82    85    87    80.00000  120.40000
   83    88    89    35.00000  120.00000
   88    69    74    63.00000  120.00000
   88    83    84    35.00000  120.00000
   85    82    83    85.00000  120.00000
   87    85    86    80.00000  126.00000
   56    52    55    60.00000  125.91000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    70    58.35000  112.70000
   58    56    57    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    76    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  111.35000
   39    43    44    70.00000  117.00000
   39    43    45    70.00000  117.00000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    51    70.00000  113.44400
   43    39    40    35.00000  109.50000
   45    43    44    80.00000  126.00000
   46    39    40    37.50000  110.70000
   46    39    43    70.00000  109.69300
   46    51    53    55.00000  130.44200
   46    51    73    65.00000  123.52500
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  110.47400
   51    46    48    45.00000  110.47400
   51    53    54    35.00000  128.20000
   51    53    59    75.00000  112.39000
   51    73    67   110.00000   90.41100
   53    59    60    35.00000  125.69000
   53    59    67    75.00000  112.39000
   59    53    54    35.00000  125.69000
   59    67    68    35.00000  130.70000
   59    67    73    80.00000  111.29200
   67    59    60    35.00000  128.20000
   73    51    53    80.00000  111.29200
   73    67    68    40.00000  122.38200
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55   0.04300 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    38    41    42   3.50000 -1.0 2.0
   33    38    41    49   3.50000 -1.0 2.0
   33    38    55    52   3.62500 -1.0 2.0
   33    38    55    61   3.62500 -1.0 2.0
   33    39    43    44   0.41150 -1.0 2.0
   33    39    43    45   0.41150 -1.0 2.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    51  -0.03700  1.0 1.0
   33    39    46    51   0.37200 -1.0 2.0
   33    39    46    51  -0.47300  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -2.95950  1.0 1.0
   38    33    39    43   0.02300  1.0 3.0
   38    33    39    46  -0.03700  1.0 1.0
   38    33    39    46   0.37200 -1.0 2.0
   38    33    39    46  -0.47300  1.0 3.0
   38    41    49    50   1.40000 -1.0 2.0
   38    41   -49    52   3.62500 -1.0 2.0
   38    55    61    62   0.00000  1.0 1.0
   38    55    61    63   0.00000  1.0 1.0
   38    55    61    69   0.68100  1.0 1.0
   38    55    61    69   0.03350 -1.0 2.0
   38    55    61    69   0.36200  1.0 3.0
   41    38   -55    52   3.62500 -1.0 2.0
   41    38    55    61   3.62500 -1.0 2.0
   41    49   -52    55   3.62500 -1.0 2.0
   41    49    52    56   3.62500 -1.0 2.0
   42    41    49    50   1.60000 -1.0 2.0
   42    41    49    52   3.62500 -1.0 2.0
   49    52   -55    38   3.62500 -1.0 2.0
   49    52    55    61   3.62500 -1.0 2.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    58   0.00000  1.0 1.0
   49    52    56    64   0.39850  1.0 1.0
   49    52    56    64   0.06450 -1.0 2.0
   49    52    56    64   0.32400  1.0 3.0
   50    49    52    55   2.00000 -1.0 2.0
   50    49    52    56   2.00000 -1.0 2.0
   52    55    61    62   0.00000  1.0 1.0
   52    55    61    63   0.00000  1.0 1.0
   52    55    61    69   0.68100  1.0 1.0
   52    55    61    69   0.03350 -1.0 2.0
   52    55    61    69   0.36200  1.0 3.0
   52    56    64    65   0.43200  1.0 3.0
   52    56    64    66   0.43200  1.0 3.0
   52    56    64    70  -0.03700  1.0 1.0
   52    56    64    70   0.37200 -1.0 2.0
   52    56    64    70  -0.47300  1.0 3.0
   55    38    41    42   5.37500 -1.0 2.0
   55    38   -41    49   5.37500 -1.0 2.0
   55    52    56    57   0.00000  1.0 1.0
   55    52    56    58   0.00000  1.0 1.0
   55    52    56    64   0.39850  1.0 1.0
   55    52    56    64   0.06450 -1.0 2.0
   55    52    56    64   0.32400  1.0 3.0
   55    61    69    74   0.04300 -1.0 2.0
   55    61    69    88   0.04300 -1.0 2.0
   61    69    74    75   3.62500 -1.0 2.0
   61    69    74    80   3.62500 -1.0 2.0
   61    69    88    83   3.62500 -1.0 2.0
   61    69    88    89   3.62500 -1.0 2.0
   62    61    69    74   0.00000  1.0 1.0
   62    61    69    88   0.00000  1.0 1.0
   63    61    69    74   0.00000  1.0 1.0
   63    61    69    88   0.00000  1.0 1.0
   69    74    80    81   3.62500 -1.0 2.0
   69    74    80    82   3.62500 -1.0 2.0
   74    69    88    83   3.62500 -1.0 2.0
   74    69    88    89   3.62500 -1.0 2.0
   74    80   -82    83   3.62500 -1.0 2.0
   74    80    82    85   3.62500 -1.0 2.0
   75    74    80    81   3.62500 -1.0 2.0
   75    74    80    82   3.62500 -1.0 2.0
   80    82    83    84   3.62500 -1.0 2.0
   80    82    83    88   3.62500 -1.0 2.0
   80    82    85    86   1.05000 -1.0 2.0
   80    82    85    87   1.05000 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    85   3.62500 -1.0 2.0
   82    83   -88    69   3.62500 -1.0 2.0
   82    83    88    89   3.62500 -1.0 2.0
   83    82    85    86   1.05000 -1.0 2.0
   83    82    85    87   1.05000 -1.0 2.0
   84    83    88    69   3.62500 -1.0 2.0
   84    83    88    89   3.62500 -1.0 2.0
   88    69    74    75   3.62500 -1.0 2.0
   88    69   -74    80   3.62500 -1.0 2.0
   85    82    83    84   3.62500 -1.0 2.0
   85    82    83    88   3.62500 -1.0 2.0
   56    52    55    38   3.62500 -1.0 2.0
   56    52    55    61   3.62500 -1.0 2.0
   56    64    70    71   0.15000  1.0 3.0
   56    64    70    72   0.15000  1.0 3.0
   56    64    70    76   0.56750  1.0 1.0
   56    64    70    76  -0.07550 -1.0 2.0
   56    64    70    76   0.20000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    70   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    66   0.15000  1.0 3.0
   58    56    64    70   0.15000  1.0 3.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    79   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    76   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    55   0.39850  1.0 1.0
   39    33    38    55   0.06450 -1.0 2.0
   39    33    38    55   0.32400  1.0 3.0
   39    46    51    53   0.04150 -1.0 2.0
   39    46    51    73  -1.00500  1.0 1.0
   39    46    51    73  -0.91300 -1.0 2.0
   39    46    51    73   0.11400  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    45   0.00000  1.0 1.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    51   0.43200  1.0 3.0
   43    39    46    47  -0.11250  1.0 3.0
   43    39    46    48  -0.11250  1.0 3.0
   43    39    46    51  -2.95950  1.0 1.0
   43    39    46    51   0.02300  1.0 3.0
   46    39    43    44   0.41150 -1.0 2.0
   46    39    43    45   0.41150 -1.0 2.0
   46    51    53    54   3.62500 -1.0 2.0
   46    51    53    59   3.62500 -1.0 2.0
   46    51    73    67   3.62500 -1.0 2.0
   47    46    51    53   0.00000  1.0 1.0
   47    46    51    73   0.00000  1.0 1.0
   48    46    51    53   0.00000  1.0 1.0
   48    46    51    73   0.00000  1.0 1.0
   51    53    59    60   3.62500 -1.0 2.0
   51    53   -59    67   3.62500 -1.0 2.0
   53    51   -73    67   3.62500 -1.0 2.0
   53    59    67    68   3.62500 -1.0 2.0
   53    59   -67    73   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   54    53    59    67   3.62500 -1.0 2.0
   59    67   -73    51   3.62500 -1.0 2.0
   60    59    67    68   3.62500 -1.0 2.0
   60    59    67    73   3.62500 -1.0 2.0
   68    67    73    51   3.62500 -1.0 2.0
   73    51    53    54   3.62500 -1.0 2.0
   73    51   -53    59   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    55    38    33   4.00000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   50    41    49    52   1.00000 -1.0 2.0
   56    55    52    49   4.00000 -1.0 2.0
   52    61    55    38   4.00000 -1.0 2.0
   74    88    69    61   4.00000 -1.0 2.0
   80    75    74    69   1.10000 -1.0 2.0
   82    81    80    74   1.10000 -1.0 2.0
   83    85    82    80   4.00000 -1.0 2.0
   88    84    83    82   1.10000 -1.0 2.0
   83    89    88    69   1.10000 -1.0 2.0
   86    82    85    87  10.50000 -1.0 2.0
   44    39    43    45  10.50000 -1.0 2.0
   53    73    51    46   4.00000 -1.0 2.0
   59    54    53    51   1.10000 -1.0 2.0
   67    60    59    53   1.10000 -1.0 2.0
   73    68    67    59   1.10000 -1.0 2.0
END
