* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    162    239     464
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047    74.16595    62.81380
    3     1 S   H    _H1_     3     1.02090    39.95640  -148.24033
    4     1 S   H    _H2_     4     1.02115   102.02973   -43.48411
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.83971    97.77161  -158.16190
   34    33 S   HC   _H3_    37     1.09081   105.91740    33.96955
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C7_    38     1.54549   111.75902   -79.99777
   39    38 S   CM   _C8_    39     1.35286   119.70354  -149.45033
   40    38 S   CT   _C6_    79     1.50895   119.24215    35.21918
   41    40 S   HC   _H11    80     1.09010   106.62374   -34.73732
   42    40 S   HC   _H12    81     1.08914   108.07068  -152.06931
   43    39 S   CM   _C9_    40     1.44841   121.56811    -4.20221
   44    43 S   HC   _H13    41     1.08381   119.11197  -162.06784
   45    39 S   OH   _O37    77     1.38026   122.34283  -178.43377
   46    45 S   HO   _H29    78     0.96423   110.03734   174.56213
   47    40 S   CT   _C5_    82     1.51841   110.40590    85.09504
   48    47 S   HC   _H9_    83     1.09596   110.66868    59.98606
   49    47 S   HC   _H10    84     1.09650   108.25651   -57.19913
   50    43 S   CM   _C10    42     1.33746   119.76187    17.26346
   51    47 S   CT   _C4_    85     1.52265   112.88884  -177.35507
   52    51 S   HC   _H6_    86     1.09455   110.98675    56.44494
   53    51 S   HC   _H7_    87     1.09475   111.32292   -64.30807
   54    51 S   HC   _H8_    88     1.09442   110.14007   176.11304
   55    33 S   CT   _C11    43     1.55922   110.38024   154.68724
   56    55 S   CT   _C13    44     1.54509   120.58871   -77.06682
   57    56 S   HC   _H4_    45     1.13586   109.56028   132.04432
   58    55 S   OS   _O36    72     1.44017   108.83187    48.73104
   59    56 S   CT   _C14    46     1.54626   103.59251  -112.38470
   60    59 S   HC   _H5_    47     1.12559   111.22758    85.82756
   61    56 S   CT   _C23    68     1.52697   117.88947    10.46339
   62    61 S   HC   _H23    69     1.08694   109.51574   -56.75724
   63    61 S   HC   _H24    70     1.08731   109.47752  -176.76584
   64    61 S   HC   _H25    71     1.08665   109.48409    63.25946
   65    58 S   CT   _C24    73     1.41617   110.94714   159.38040
   66    65 S   HC   _H26    74     1.09273   109.52643   180.00000
   67    65 S   HC   _H27    75     1.09315   109.53557    59.22376
   68    65 S   HC   _H28    76     1.09283   108.96969   -60.40145
   69    59 S   CA   _C15    48     1.51513   119.53658  -150.45886
   70    50 S   OS   _O33    67     1.37664   123.11009  -169.44885
   71    69 S   CA   _C16    49     1.39449   120.02544   -96.34936
   72    71 S   HA   _H14    50     1.08660   120.47204     0.01978
   73    71 S   CA   _C17    51     1.39457   120.02319   179.88131
   74    73 S   HA   _H15    52     1.08649   119.60717  -179.97202
   75    73 S   CA   _C18    53     1.39540   119.98605     0.00000
   76    75 S   CA   _C19    54     1.39449   119.99082    -0.00000
   77    75 S   OS   _O35    62     1.36230   119.41644   180.00000
   78    69 S   CA   _C20    55     1.39540   119.98371    83.54786
   79    78 S   HA   _H16    56     1.08760   120.12922     0.10835
   80    76 S   OS   _O34    57     1.36222   120.52140   179.94405
   81    77 S   CT   _C22    63     1.42686   117.03032     0.00000
   82    81 S   HC   _H20    64     1.09242   109.51291  -180.00000
   83    81 S   HC   _H21    65     1.09308   109.49524    59.15899
   84    81 S   HC   _H22    66     1.09329   108.97553   -60.38852
   85    80 S   CT   _C21    58     1.42577   117.03924  -179.94766
   86    85 S   HC   _H17    59     1.09329   109.53285  -180.00000
   87    85 S   HC   _H18    60     1.09257   109.58729    59.18175
   88    85 S   HC   _H19    61     1.09350   108.97536   -60.42915
  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
  18   7   2   1   1  16  11  12   5   4   9   4   2   1   6   5
   4  10   3   2   1   1  15  13   9   7  13   5   5   2   1   1
   3   2   1   1  10   2   8   4   7   3  10   9   6   3   1   4
   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    55    56    58    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    50    55    56    57    59    70    61    58    65    45    40    41    42    47  
   38    39    50    55    56    58    40  
   36    37  
   37  
    0  
   39    43    44    50    55    56    58    45    46    40    41    42    47    48    49    51  
   43    44    50    55    70    45    46    40    41    42    47  
   41    42    47    48    49    51    52    53    54    43    45    55  
   42    47    48    49    51  
   47    48    49    51  
   44    50    55    56    59    70    58    45    46  
   50    55    70    45  
   46    50  
    0  
   48    49    51    52    53    54  
   49    51    52    53    54  
   51    52    53    54  
   55    56    57    59    60    69    70    61    58    65  
   52    53    54  
   53    54  
   54  
    0  
   56    57    59    60    69    70    61    62    63    64    58    65    66    67    68  
   57    59    60    69    71    78    70    61    62    63    64    58    65  
   59    60    69    70    61    62    63    64    58  
   65    66    67    68    59    61    70  
   60    69    71    72    73    76    78    79    70    61    62    63    64  
   69    71    78    70    61  
   62    63    64    69    70  
   63    64  
   64  
    0  
   66    67    68  
   67    68  
   68  
    0  
   71    72    73    74    75    76    78    79    80    70  
   71    78  
   72    73    74    75    76    78    79    77  
   73    74    75    78  
   74    75    76    78    80    77    81  
   75    76    77  
   76    78    79    80    85    77    81    82    83    84  
   78    79    80    85    86    87    88    77    81  
   81    82    83    84    78    80  
   79    80    85  
   80  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.110000   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   70   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    55   268.000  1.529
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   380.000  1.444
   39    45   510.000  1.338
   43    44   340.000  1.080
   43    50   549.000  1.340
   50    55   317.000  1.510
   50    70   440.000  1.360
   55    56   268.000  1.529
   55    58   320.000  1.410
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   268.000  1.529
   59    60   340.000  1.090
   59    69   317.000  1.510
   59    70   320.000  1.410
   69    71   469.000  1.400
   69    78   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   58    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    55    50    70.00000  112.02700
   33    55    56    58.35000  112.70000
   33    55    58    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    43    70.00000  123.01800
   38    39    45    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    47    70.00000  112.02700
   39    43    44    35.00000  120.00000
   39    43    50    70.00000  123.01800
   39    45    46    70.00000  107.45700
   43    50    55    70.00000  124.00000
   43    50    70    80.00000  120.01400
   50    43    44    35.00000  120.00000
   50    55    56    70.00000  112.02700
   50    55    58    85.00000  110.90400
   50    70    59    90.00000  111.18400
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    56    57    37.50000  110.70000
   55    56    59    58.35000  112.70000
   55    56    61    58.35000  112.70000
   55    58    65    60.00000  109.50000
   56    59    60    37.50000  110.70000
   56    59    69    70.00000  112.17500
   56    59    70    50.00000  109.50000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    37.50000  110.70000
   59    56    57    37.50000  110.70000
   59    69    71    70.00000  120.00000
   59    69    78    70.00000  120.00000
   69    59    60    35.00000  109.50000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   69    78    76    63.00000  120.00000
   69    78    79    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    81    75.00000  111.00000
   76    78    79    35.00000  120.00000
   76    80    85    75.00000  111.00000
   78    69    71    63.00000  120.00000
   80    76    78    70.00000  120.00000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    75    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    50    55    85.00000  112.85300
   70    59    60    35.00000  109.50000
   70    59    69    85.00000  111.85700
   61    56    57    37.50000  110.70000
   61    56    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   58    55    56    50.00000  109.50000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    39    43    80.00000  121.38400
   40    38    39    70.00000  124.00000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    42    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    55    50   0.56750  1.0 1.0
   29    33    55    50  -0.07550 -1.0 2.0
   29    33    55    50   0.20000  1.0 3.0
   29    33    55    56   0.44750  1.0 1.0
   29    33    55    56  -0.17800 -1.0 2.0
   29    33    55    56   0.20200  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    39    45   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    38    40    47   0.46850  1.0 1.0
   33    38    40    47   0.08550 -1.0 2.0
   33    38    40    47   0.09800  1.0 3.0
   33    55    56    57   0.15000  1.0 3.0
   33    55    56    59   0.56750  1.0 1.0
   33    55    56    59  -0.07550 -1.0 2.0
   33    55    56    59   0.20000  1.0 3.0
   33    55    56    61   0.56750  1.0 1.0
   33    55    56    61  -0.07550 -1.0 2.0
   33    55    56    61   0.20000  1.0 3.0
   33    55    58    65   0.06250  1.0 1.0
   33    55    58    65  -0.01100 -1.0 2.0
   33    55    58    65   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    55    50   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    50   0.31000  1.0 1.0
   38    33    55    50   0.14700 -1.0 2.0
   38    33    55    50   0.07550  1.0 3.0
   38    33    55    56   0.34400  1.0 1.0
   38    33    55    56   0.09450 -1.0 2.0
   38    33    55    56   0.11100  1.0 3.0
   38    33    55    58   0.61850  1.0 1.0
   38    33    55    58  -0.22750 -1.0 2.0
   38    33    55    58   0.15300  1.0 3.0
   38    39    43    44  -0.18600  1.0 3.0
   38    39   -43    50   0.28850  1.0 1.0
   38    39   -43    50   2.61350 -1.0 2.0
   38    39   -43    50   0.78400  1.0 3.0
   38    39    45    46  -0.66100  1.0 1.0
   38    39    45    46   1.20850 -1.0 2.0
   38    39    45    46  -0.36000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40    47    49   0.15000  1.0 3.0
   38    40    47    51   0.34400  1.0 1.0
   38    40    47    51   0.09450 -1.0 2.0
   38    40    47    51   0.11100  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    47   0.09850  1.0 1.0
   39    38    40    47   0.15250 -1.0 2.0
   39    38    40    47  -0.50650  1.0 3.0
   39    43    50    55   7.00000 -1.0 2.0
   39    43    50    70   7.00000 -1.0 2.0
   43    39    45    46  -0.66100  1.0 1.0
   43    39    45    46   1.20850 -1.0 2.0
   43    39    45    46  -0.36000  1.0 3.0
   43    50   -55    33   0.09850  1.0 1.0
   43    50   -55    33   0.15250 -1.0 2.0
   43    50   -55    33  -0.50650  1.0 3.0
   43    50    55    56   0.09850  1.0 1.0
   43    50    55    56   0.15250 -1.0 2.0
   43    50    55    56  -0.50650  1.0 3.0
   43    50    55    58   0.39000  1.0 1.0
   43    50    55    58  -0.05800 -1.0 2.0
   43    50    55    58  -0.55150  1.0 3.0
   43    50    70    59  -2.26850  1.0 1.0
   43    50    70    59   3.39050 -1.0 2.0
   44    43    50    55   7.00000 -1.0 2.0
   44    43    50    70   7.00000 -1.0 2.0
   50    55    56    57   0.15000  1.0 3.0
   50    55   -56    59   0.34400  1.0 1.0
   50    55   -56    59   0.09450 -1.0 2.0
   50    55   -56    59   0.11100  1.0 3.0
   50    55    56    61   0.34400  1.0 1.0
   50    55    56    61   0.09450 -1.0 2.0
   50    55    56    61   0.11100  1.0 3.0
   50    55    58    65  -0.77900  1.0 1.0
   50    55    58    65  -0.36900 -1.0 2.0
   50    55    58    65   0.40400  1.0 3.0
   55    33   -38    39   0.09850  1.0 1.0
   55    33   -38    39   0.15250 -1.0 2.0
   55    33   -38    39  -0.50650  1.0 3.0
   55    33    38    40   0.46850  1.0 1.0
   55    33    38    40   0.08550 -1.0 2.0
   55    33    38    40   0.09800  1.0 3.0
   55    50   -70    59   2.00000 -1.0 2.0
   55    56    59    60   0.15000  1.0 3.0
   55    56    59    69  -0.03700  1.0 1.0
   55    56    59    69   0.37200 -1.0 2.0
   55    56    59    69  -0.47300  1.0 3.0
   55    56   -59    70   0.62750  1.0 1.0
   55    56   -59    70  -0.30950 -1.0 2.0
   55    56   -59    70   0.27300  1.0 3.0
   55    56    61    62   0.15000  1.0 3.0
   55    56    61    63   0.15000  1.0 3.0
   55    56    61    64   0.15000  1.0 3.0
   55    58    65    66   0.37050  1.0 3.0
   55    58    65    67   0.37050  1.0 3.0
   55    58    65    68   0.37050  1.0 3.0
   56    55    58    65   0.06250  1.0 1.0
   56    55    58    65  -0.01100 -1.0 2.0
   56    55    58    65   0.28050  1.0 3.0
   56    59    69    71   0.04150 -1.0 2.0
   56    59    69    78   0.04150 -1.0 2.0
   56    59   -70    50  -0.46850  1.0 1.0
   56    59   -70    50   0.09300 -1.0 2.0
   56    59   -70    50  -0.12850  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    69   0.43200  1.0 3.0
   57    56    59    70   0.23400  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   59    56    61    62   0.15000  1.0 3.0
   59    56    61    63   0.15000  1.0 3.0
   59    56    61    64   0.15000  1.0 3.0
   59    69    71    72   3.62500 -1.0 2.0
   59    69    71    73   3.62500 -1.0 2.0
   59    69    78    76   3.62500 -1.0 2.0
   59    69    78    79   3.62500 -1.0 2.0
   60    59    69    71   0.00000  1.0 1.0
   60    59    69    78   0.00000  1.0 1.0
   60    59    70    50   0.08050  1.0 3.0
   69    59    70    50  -0.48150  1.0 1.0
   69    59    70    50   0.09250 -1.0 2.0
   69    59    70    50  -0.12850  1.0 3.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   71    69    78    76   3.62500 -1.0 2.0
   71    69    78    79   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    78   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    77    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76   -78    69   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76    80    85   1.63200 -1.0 2.0
   75    77    81    82   0.08050  1.0 3.0
   75    77    81    83   0.08050  1.0 3.0
   75    77    81    84   0.08050  1.0 3.0
   76    75    77    81   1.63200 -1.0 2.0
   76    80    85    86   0.08050  1.0 3.0
   76    80    85    87   0.08050  1.0 3.0
   76    80    85    88   0.08050  1.0 3.0
   78    69    71    72   3.62500 -1.0 2.0
   78    69   -71    73   3.62500 -1.0 2.0
   78    76    80    85   1.63200 -1.0 2.0
   80    76    78    69   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   70    50    55    33   0.09700  1.0 1.0
   70    50    55    33   0.15600 -1.0 2.0
   70    50    55    33  -0.50800  1.0 3.0
   70    50   -55    56   0.09700  1.0 1.0
   70    50   -55    56   0.15600 -1.0 2.0
   70    50   -55    56  -0.50800  1.0 3.0
   70    50    55    58   0.09700  1.0 1.0
   70    50    55    58   0.15600 -1.0 2.0
   70    50    55    58  -0.50800  1.0 3.0
   70    59    69    71   0.64500  1.0 1.0
   70    59    69    71   0.14800 -1.0 2.0
   70    59    69    71   0.20650  1.0 3.0
   70    59    69    78   0.64500  1.0 1.0
   70    59    69    78   0.14800 -1.0 2.0
   70    59    69    78   0.20650  1.0 3.0
   61    56    59    60   0.15000  1.0 3.0
   61    56    59    69  -0.03700  1.0 1.0
   61    56    59    69   0.37200 -1.0 2.0
   61    56    59    69  -0.47300  1.0 3.0
   61    56    59    70   0.62750  1.0 1.0
   61    56    59    70  -0.30950 -1.0 2.0
   61    56    59    70   0.27300  1.0 3.0
   58    55    56    57   0.23400  1.0 3.0
   58    55    56    59   0.62750  1.0 1.0
   58    55    56    59  -0.30950 -1.0 2.0
   58    55    56    59   0.27300  1.0 3.0
   58    55    56    61   0.62750  1.0 1.0
   58    55    56    61  -0.30950 -1.0 2.0
   58    55    56    61   0.27300  1.0 3.0
   45    39    43    44   0.00000  1.0 1.0
   45    39    43    50   0.50950  1.0 1.0
   45    39    43    50   0.56650 -1.0 2.0
   45    39    43    50   0.34050  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    45   7.00000 -1.0 2.0
   40    47    51    52   0.15000  1.0 3.0
   40    47    51    53   0.15000  1.0 3.0
   40    47    51    54   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    51   0.15000  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    49   0.15000  1.0 3.0
   42    40    47    51   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    54   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    45    39    38   1.10000 -1.0 2.0
   39    44    43    50   1.10000 -1.0 2.0
   55    70    50    43   1.10000 -1.0 2.0
   71    78    69    59   4.00000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   76    79    78    69   1.10000 -1.0 2.0
END
