* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    152    221     435
    1     0 S   NP   _N1_     1    29.13143    95.62672   -22.77676
    2     1 S   H    _HN1     2     1.02929    79.57512   -31.70603
    3     1 S   H    _H1_     3     1.02837    29.85529   125.43702
    4     1 S   H    _H2_     4     1.02845   106.68982  -137.80644
    5     1 S   CT   _CA1     5     1.50017   133.34151    76.92206
    6     5 S   HC   _HA1     6     1.09556   105.26255    82.63812
    7     5 S   CO3  _C1_     7     1.53665   112.80891   -37.98045
    8     7 S   O2Z  _O11     8     1.26424   115.34474   -40.87118
    9     7 S   O2Z  _O12     9     1.26238   115.12291   139.21351
   10     5 S   CT   _CB1    10     1.53056   107.50272  -159.08426
   11    10 S   HC   HB11    11     1.09844   109.69258   -47.97419
   12    10 S   HC   HB12    12     1.09707   110.19371    68.48556
   13    10 S   CT   _CG1    13     1.53048   112.67425  -168.79760
   14    13 S   HC   HG11    14     1.09535   111.13959   -64.33268
   15    13 S   HC   HG12    15     1.09591   109.54308    54.79352
   16    13 S   C    _CD1    16     1.51646   111.11429   176.53909
   17    16 S   O    _OE1    17     1.22807   122.50621    34.84374
   18    16 S   N    _N2_    18     1.38507   112.66041  -146.35775
   19    18 S   H    _HN2    19     1.01548   119.40880     3.33096
   20    18 S   CT1  _CA2    20     1.46169   123.07662   179.06812
   21    20 S   HC   _HA2    21     1.09572   109.02969     8.39740
   22    20 S   C    _C2_    22     1.53647   109.46022  -106.85843
   23    22 S   O    _O2_    23     1.23081   122.00439  -152.18907
   24    20 S   CT   _CB2    32     1.53443   111.78687   130.41123
   25    24 S   HC   HB21    33     1.09657   109.52783    67.50049
   26    24 S   HC   HB22    34     1.09569   110.94873  -175.14147
   27    22 S   N    _N3_    24     1.38238   113.95041    35.13133
   28    27 S   H    _HN3    25     1.01522   119.60395    -3.06950
   29    24 S   S    _SG2    35     1.82791   114.36897   -51.74170
   30    27 S   CT   _CA3    26     1.45268   123.47509   177.39173
   31    30 S   HC   HA31    27     1.09543   107.49110   -65.68303
   32    30 S   HC   HA32    28     1.09550   108.05589    50.82778
   33    29 S   CT   _C20    36     1.82484   100.26954   -70.09876
   34    33 S   HC   _H27    37     1.09310   110.18248    45.11701
   35    33 S   HC   _H28    38     1.09487   107.51435   -72.41215
   36    30 S   CO3  _C3_    29     1.53031   113.91287   172.81619
   37    36 S   O2Z  _O31    30     1.26416   116.06820    -1.26362
   38    36 S   O2Z  _O32    31     1.26421   114.42564   178.81469
   39    33 S   CT   _C19    39     1.53309   111.61270   167.81555
   40    39 S   HC   _H25    40     1.09842   108.20642   167.40455
   41    39 S   HC   _H26    41     1.09650   110.68026    52.55978
   42    39 S   C5A  _C6_    42     1.50457   113.08451   -72.15723
   43    42 S   C5B  _C5_    43     1.38256   130.34622    98.34364
   44    43 S   N5P  _N4_    44     1.39768   112.42455  -178.79309
   45    43 S   CT   _C4_    81     1.48357   127.96647     0.77025
   46    45 S   HC   _H4_    82     1.09404   111.24832   127.23506
   47    45 S   HC   _H5_    83     1.09455   110.58712  -111.34865
   48    45 S   HC   _H6_    84     1.09374   111.79134     8.25276
   49    44 S   CRP  _C7_    45     1.33135   114.39883    -0.16071
   50    44 S   CT   _C8_    64     1.47800   123.09974   176.98461
   51    50 S   HC   _H7_    65     1.09333   111.61442   -12.44537
   52    50 S   HC   _H8_    66     1.09182   106.50925  -126.76069
   53    42 S   SA   _S1_    46     1.71362   119.75731   -82.15230
   54    49 S   CT   _C14    47     1.50422   127.30119   179.51382
   55    54 S   HC   _H3_    48     1.08957   110.11602   -14.24093
   56    50 S   CA   _C9_    67     1.50594   112.24726   109.64888
   57    54 S   CT   _C15    49     1.53710   112.05261   108.81818
   58    57 S   HC   _H15    50     1.09837   108.99772    60.44584
   59    57 S   HC   _H16    51     1.09728   109.61195   -55.68856
   60    54 S   OH   _O33    62     1.42526   107.17700  -129.83916
   61    60 S   HO   _H24    63     0.97226   107.64950   164.98016
   62    56 S   CA   _C10    68     1.38921   121.42725   -41.65675
   63    62 S   HA   _H9_    69     1.08550   121.66281     1.89321
   64    57 S   CT   _C16    52     1.54346   114.88802  -179.18052
   65    64 S   HC   _H17    53     1.09661   109.15225   -58.57356
   66    62 S   NB   _N5_    70     1.34649   124.68944  -178.16101
   67    64 S   CT   _C17    54     1.52891   112.61625    61.78858
   68    67 S   HC   _H18    55     1.09473   111.20317    56.53268
   69    67 S   HC   _H19    56     1.09548   110.69312   176.36331
   70    67 S   HC   _H20    57     1.09373   111.53552   -64.54281
   71    64 S   CT   _C18    58     1.53178   109.62267  -176.02103
   72    71 S   HC   _H21    59     1.09545   111.28377   -61.91993
   73    71 S   HC   _H22    60     1.09515   110.83927    58.37139
   74    71 S   HC   _H23    61     1.09521   110.82898   177.84323
   75    66 S   CQ   _C11    71     1.34293   115.50126     1.64282
   76    75 S   NB   _N6_    72     1.34813   125.07308    -0.57946
   77    75 S   CT   _C13    77     1.49500   117.53624  -178.64246
   78    77 S   HC   _H12    78     1.09387   109.66580    90.21523
   79    77 S   HC   _H13    79     1.09432   110.62073  -149.75957
   80    77 S   HC   _H14    80     1.09432   110.68860   -29.84015
   81    56 S   CA   _C12    73     1.39493   123.27058   142.06639
   82    81 S   NE   _N7_    74     1.38963   121.65558     0.26834
   83    82 S   H    _H10    75     1.01352   120.32602   -35.87708
   84    82 S   H    _H11    76     1.01321   115.74696   177.00611
  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   7   5   4   3
   8   5   4   2   1   1   8   4   3  10  12  16   6   2   1   1
  13  11   4   3   4  10   6   9  14   6   5   2   1   7   3   9
   8   7   7   3   2   1   3   2   1   1   7   8   4   2   1   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    53    45  
   41    42    43    53  
   42    43    53  
   43    44    49    53    54    50    45    46    47    48  
   44    49    53    54    50    51    52    56    45    46    47    48  
   49    53    54    55    57    60    50    51    52    56    62    81    45    46    47    48  
   46    47    48    49    50    53  
   47    48  
   48  
    0  
   53    54    55    57    58    59    64    60    61    50    51    52    56  
   51    52    56    62    63    66    76    81    82    53    54  
   52    56    62    81  
   56    62    81  
   54    55    57    60  
   55    57    58    59    64    65    67    71    60    61  
   57    58    59    64    60    61  
   62    63    66    75    76    81    82    83    84  
   58    59    64    65    67    68    69    70    71    72    73    74    60    61  
   59    64    65    67    71    60  
   64    65    67    71    60  
   61    64  
    0  
   63    66    75    76    81    82    77  
   66    75    81  
   65    67    68    69    70    71    72    73    74  
   67    68    69    70    71    72    73    74  
   75    76    81    77    78    79    80  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   76    81    82    77    78    79    80  
   81    82    83    84    77    78    79    80  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.017400   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.028100   2.0020   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700   0.193300   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.068800   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5600   0.3950   0.315900   2.0080   1.7800   0.025682759  -1.666211680
   54   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   77   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   83   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   295.000  1.489
   42    43   520.000  1.370
   42    53   265.000  1.745
   43    44   420.000  1.386
   43    45   295.000  1.494
   44    49   520.000  1.338
   44    50   300.000  1.456
   49    53   260.000  1.741
   49    54   290.000  1.488
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    71   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.510
   56    62   469.000  1.400
   56    81   469.000  1.400
   62    63   367.000  1.080
   62    66   483.000  1.339
   66    75   502.000  1.324
   75    76   502.000  1.324
   75    77   317.000  1.510
   76    81   483.000  1.339
   81    82   481.000  1.340
   82    83   434.000  1.010
   82    84   434.000  1.010
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  113.44400
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    55.00000  130.44200
   39    42    53    65.00000  123.52500
   41    39    40    33.00000  107.80000
   42    39    40    45.00000  110.47400
   42    39    41    45.00000  110.47400
   42    43    44    85.00000  109.61400
   42    43    45    55.00000  127.77900
   42    53    49   110.00000   90.05000
   43    44    49    80.00000  112.70000
   43    44    50    65.00000  125.09000
   43    45    46    45.00000  111.11700
   43    45    47    45.00000  111.11700
   43    45    48    45.00000  111.11700
   44    49    53    85.00000  110.81000
   44    49    54    60.00000  125.91000
   44    50    51    50.00000  107.70000
   44    50    52    50.00000  107.70000
   44    50    56    75.00000  110.34000
   49    54    55    45.00000  106.72000
   49    54    57    70.00000  112.17500
   49    54    60   105.00000   99.42000
   53    42    43    80.00000  111.29200
   54    49    53    60.00000  130.00000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    64    58.35000  112.70000
   54    60    61    55.00000  108.50000
   57    54    55    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    67    58.35000  112.70000
   57    64    71    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    37.50000  110.70000
   67    64    65    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    57    50.00000  109.50000
   50    44    49    65.00000  121.70000
   50    56    62    70.00000  120.00000
   50    56    81    70.00000  120.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    62    63    35.00000  120.00000
   56    62    66    70.00000  124.00000
   56    81    76    70.00000  124.00000
   56    81    82    70.00000  120.10000
   62    66    75    70.00000  118.60000
   66    62    63    35.00000  116.00000
   66    75    76    70.00000  129.10000
   66    75    77    75.00000  115.74700
   75    76    81    70.00000  118.60000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   76    81    82    80.00000  117.25000
   81    56    62    63.00000  120.00000
   81    82    83    35.00000  113.50000
   81    82    84    35.00000  113.50000
   84    82    83    35.00000  109.00000
   77    75    76    75.00000  115.74700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   45    43    44    60.00000  130.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.01700  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.04150 -1.0 2.0
   33    39    42    53  -1.00500  1.0 1.0
   33    39    42    53  -0.91300 -1.0 2.0
   33    39    42    53   0.11400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.43200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.43200  1.0 3.0
   39    42    43    44   3.62500 -1.0 2.0
   39    42    43    45   3.62500 -1.0 2.0
   39    42    53    49   3.62500 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    53   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    53   0.00000  1.0 1.0
   42    43   -44    49   3.62500 -1.0 2.0
   42    43    44    50   3.62500 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    42   -53    49   3.62500 -1.0 2.0
   43    44   -49    53   3.62500 -1.0 2.0
   43    44    49    54   3.62500 -1.0 2.0
   43    44    50    51   0.00000  1.0 1.0
   43    44    50    52   0.00000  1.0 1.0
   43    44    50    56   0.68100  1.0 1.0
   43    44    50    56   0.03350 -1.0 2.0
   43    44    50    56   0.36200  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -53    42   3.62500 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    57   0.39850  1.0 1.0
   44    49    54    57   0.06450 -1.0 2.0
   44    49    54    57   0.32400  1.0 3.0
   44    49    54    60   0.04300 -1.0 2.0
   44    50    56    62   0.04300 -1.0 2.0
   44    50    56    81   0.04300 -1.0 2.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    56   0.68100  1.0 1.0
   49    44    50    56   0.03350 -1.0 2.0
   49    44    50    56   0.36200  1.0 3.0
   49    54    57    58   0.43200  1.0 3.0
   49    54    57    59   0.43200  1.0 3.0
   49    54    57    64  -0.03700  1.0 1.0
   49    54    57    64   0.37200 -1.0 2.0
   49    54    57    64  -0.47300  1.0 3.0
   49    54    60    61   0.31900  1.0 1.0
   49    54    60    61  -0.11800 -1.0 2.0
   49    54    60    61   0.38750  1.0 3.0
   53    42   -43    44   3.62500 -1.0 2.0
   53    42    43    45   3.62500 -1.0 2.0
   53    49    54    55   0.00000  1.0 1.0
   53    49    54    57  -1.00500  1.0 1.0
   53    49    54    57  -0.91300 -1.0 2.0
   53    49    54    57   0.11400  1.0 3.0
   53    49    54    60   0.04300 -1.0 2.0
   54    49    53    42   3.62500 -1.0 2.0
   54    57    64    65   0.15000  1.0 3.0
   54    57    64    67   0.56750  1.0 1.0
   54    57    64    67  -0.07550 -1.0 2.0
   54    57    64    67   0.20000  1.0 3.0
   54    57    64    71   0.56750  1.0 1.0
   54    57    64    71  -0.07550 -1.0 2.0
   54    57    64    71   0.20000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    64   0.15000  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   57    54    60    61  -0.11600  1.0 1.0
   57    54    60    61  -0.09450 -1.0 2.0
   57    54    60    61   0.21250  1.0 3.0
   57    64    67    68   0.15000  1.0 3.0
   57    64    67    69   0.15000  1.0 3.0
   57    64    67    70   0.15000  1.0 3.0
   57    64    71    72   0.15000  1.0 3.0
   57    64    71    73   0.15000  1.0 3.0
   57    64    71    74   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   58    57    64    71   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    67   0.15000  1.0 3.0
   59    57    64    71   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    74   0.15000  1.0 3.0
   67    64    71    72   0.15000  1.0 3.0
   67    64    71    73   0.15000  1.0 3.0
   67    64    71    74   0.15000  1.0 3.0
   71    64    67    68   0.15000  1.0 3.0
   71    64    67    69   0.15000  1.0 3.0
   71    64    67    70   0.15000  1.0 3.0
   60    54    57    58   0.23400  1.0 3.0
   60    54    57    59   0.23400  1.0 3.0
   60    54    57    64   0.86500  1.0 1.0
   60    54    57    64  -0.17500 -1.0 2.0
   60    54    57    64   0.20800  1.0 3.0
   50    44    49    53   3.62500 -1.0 2.0
   50    44    49    54   3.62500 -1.0 2.0
   50    56    62    63   3.62500 -1.0 2.0
   50    56    62    66   3.62500 -1.0 2.0
   50    56    81    76   3.62500 -1.0 2.0
   50    56    81    82   3.62500 -1.0 2.0
   51    50    56    62   0.00000  1.0 1.0
   51    50    56    81   0.00000  1.0 1.0
   52    50    56    62   0.00000  1.0 1.0
   52    50    56    81   0.00000  1.0 1.0
   56    62    66    75   3.62500 -1.0 2.0
   56    81    82    83   1.00000 -1.0 2.0
   56    81    82    84   1.00000 -1.0 2.0
   62    56    81    76   3.62500 -1.0 2.0
   62    56    81    82   3.62500 -1.0 2.0
   62    66   -75    76   3.62500 -1.0 2.0
   62    66    75    77   3.62500 -1.0 2.0
   63    62    66    75   3.62500 -1.0 2.0
   66    75    76    81   3.62500 -1.0 2.0
   66    75    77    78   0.00000  1.0 1.0
   66    75    77    79   0.00000  1.0 1.0
   66    75    77    80   0.00000  1.0 1.0
   75    76   -81    56   3.62500 -1.0 2.0
   75    76    81    82   3.62500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.00000  1.0 1.0
   76    81    82    83   1.75000 -1.0 2.0
   76    81    82    84   1.75000 -1.0 2.0
   81    56    62    63   3.62500 -1.0 2.0
   81    56   -62    66   3.62500 -1.0 2.0
   77    75    76    81   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    43    44    50   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
   37    30    36    38  10.50000 -1.0 2.0
   43    53    42    39   4.00000 -1.0 2.0
   45    44    43    42   4.00000 -1.0 2.0
   49    50    44    43   4.00000 -1.0 2.0
   54    53    49    44   4.00000 -1.0 2.0
   62    81    56    50   4.00000 -1.0 2.0
   66    63    62    56   1.10000 -1.0 2.0
   77    76    75    66   4.00000 -1.0 2.0
   76    82    81    56   4.00000 -1.0 2.0
   84    81    82    83   1.00000 -1.0 2.0
END
