* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    156    233     448
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02016    94.95200    31.69157
    3     1 S   H    _H1_     3     1.02152    33.80374   148.46906
    4     1 S   H    _H2_     4     1.02100    85.11276   -76.70125
    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   _C11    36     1.83880    97.61858   161.82887
   34    33 S   HC   _H5_    37     1.09779   106.16482   -34.98649
   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   _C10    38     1.53980   111.59581    80.01533
   39    38 S   CM   _C9_    39     1.35296   119.80404   148.85563
   40    38 S   CT   _C14    79     1.51088   117.85879   -37.57865
   41    40 S   HC   _H13    80     1.08871   108.01507    36.63473
   42    40 S   HC   _H14    81     1.09055   107.79233   153.01435
   43    39 S   CM   _C8_    40     1.44753   121.87085     2.81654
   44    43 S   HC   _H9_    41     1.08460   118.91368   161.49091
   45    39 S   OH   _O35    77     1.37618   125.40121   179.24256
   46    45 S   HO   _H18    78     0.96428   110.02283  -176.78375
   47    40 S   CM   _C15    82     1.49161   111.43006   -84.04314
   48    47 S   HC   _H15    83     1.08856   117.77447    61.22890
   49    43 S   CM   _C7_    42     1.33852   120.10944   -16.12023
   50    47 S   CM   _C16    84     1.33821   123.74181  -120.37432
   51    50 S   HC   _H16    85     1.08406   121.54719  -179.98022
   52    50 S   HC   _H17    86     1.08372   120.41023    -0.11535
   53    33 S   CT   _C12    43     1.55860   110.58316  -153.83243
   54    53 S   CT   _C5_    44     1.53287   116.26256    85.24841
   55    54 S   HC   _H3_    45     1.10068   109.26718    38.84596
   56    53 S   OS   _O34    72     1.42890   111.74273   -43.90419
   57    54 S   CT   _C6_    46     1.54299   101.40411   154.11997
   58    57 S   HC   _H4_    47     1.09615   112.17330    82.26150
   59    54 S   CT   _C4_    68     1.52483   116.93303   -84.69150
   60    59 S   HC   _H6_    69     1.09007   109.90949   -56.04792
   61    59 S   HC   _H7_    70     1.08986   109.95970  -176.01592
   62    59 S   HC   _H8_    71     1.08982   109.92790    63.95231
   63    56 S   CT   _C13    73     1.41828   111.25001   -61.98175
   64    63 S   HC   _H10    74     1.09311   109.48997   179.98022
   65    63 S   HC   _H11    75     1.09327   109.49952    59.20725
   66    63 S   HC   _H12    76     1.09196   108.95403   -60.41905
   67    57 S   CA   _C17    48     1.49058   112.89001  -153.86913
   68    49 S   OS   _O33    67     1.38252   122.95141   173.96454
   69    67 S   CA   _C18    49     1.39454   119.98959    84.48110
   70    69 S   HA   _H19    50     1.08604   120.54217    -0.00000
   71    69 S   CA   _C19    51     1.39508   119.99973   179.85463
   72    71 S   HA   _H20    52     1.08596   119.65498   179.96574
   73    71 S   CA   _C20    53     1.39546   119.95443     0.02798
   74    73 S   CA   _C21    54     1.39454   120.04588    -0.01978
   75    73 S   OS   _O37    62     1.36280   119.39442   180.00000
   76    67 S   CA   _C22    55     1.39467   119.98022   -95.62940
   77    76 S   HA   _H21    56     1.08719   120.16739     0.07133
   78    74 S   OS   _O36    57     1.36139   120.54762   179.95577
   79    75 S   CT   _C24    63     1.42638   117.02766     0.00000
   80    79 S   HC   _H25    64     1.09284   109.53153   179.98022
   81    79 S   HC   _H26    65     1.09317   109.50360    59.23216
   82    79 S   HC   _H27    66     1.09227   108.97137   -60.39501
   83    78 S   CT   _C23    58     1.42650   117.05437  -179.97202
   84    83 S   HC   _H22    59     1.09255   109.56391  -179.97202
   85    83 S   HC   _H23    60     1.09322   109.51911    59.21227
   86    83 S   HC   _H24    61     1.09217   108.98189   -60.39990
  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  15  11  10   4   3   9   4   2   1   4   3
  10   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    53    54    56    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    49    53    54    55    57    68    59    56    63    45    40    41    42    47  
   38    39    49    53    54    56    40  
   36    37  
   37  
    0  
   39    43    44    49    53    54    56    45    46    40    41    42    47    48    50  
   43    44    49    53    68    45    46    40    41    42    47  
   41    42    47    48    50    51    52    43    45    53  
   42    47    48    50  
   47    48    50  
   44    49    53    54    57    68    56    45    46  
   49    53    68    45  
   46    49  
    0  
   48    50    51    52  
   50    51    52  
   53    54    55    57    58    67    68    59    56    63  
   51    52  
   52  
    0  
   54    55    57    58    67    68    59    60    61    62    56    63    64    65    66  
   55    57    58    67    69    76    68    59    60    61    62    56    63  
   57    58    67    68    59    60    61    62    56  
   63    64    65    66    57    59    68  
   58    67    69    70    71    74    76    77    68    59    60    61    62  
   67    69    76    68    59  
   60    61    62    67    68  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   69    70    71    72    73    74    76    77    78    68  
   69    76  
   70    71    72    73    74    76    77    75  
   71    72    73    76  
   72    73    74    76    78    75    79  
   73    74    75  
   74    76    77    78    83    75    79    80    81    82  
   76    77    78    83    84    85    86    75    79  
   79    80    81    82    76    78  
   77    78    83  
   78  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   68   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   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    53   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    49   549.000  1.340
   49    53   317.000  1.510
   49    68   440.000  1.360
   53    54   268.000  1.529
   53    56   320.000  1.410
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    67   317.000  1.510
   57    68   320.000  1.410
   67    69   469.000  1.400
   67    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    78   450.000  1.364
   76    77   367.000  1.080
   78    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   56    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   45    46   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   317.000  1.510
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    52   340.000  1.080
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    53    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    53    49    70.00000  112.02700
   33    53    54    58.35000  112.70000
   33    53    56    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  110.12100
   39    43    44    35.00000  120.00000
   39    43    49    70.00000  123.01800
   39    45    46    70.00000  107.45700
   43    49    53    70.00000  124.00000
   43    49    68    80.00000  120.01400
   49    43    44    35.00000  120.00000
   49    53    54    70.00000  112.02700
   49    53    56    85.00000  110.90400
   49    68    57    90.00000  111.18400
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    54    55    37.50000  110.70000
   53    54    57    58.35000  112.70000
   53    54    59    58.35000  112.70000
   53    56    63    60.00000  109.50000
   54    57    58    37.50000  110.70000
   54    57    67    70.00000  112.17500
   54    57    68    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    54    55    37.50000  110.70000
   57    67    69    70.00000  120.00000
   57    67    76    70.00000  120.00000
   67    57    58    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   67    76    74    63.00000  120.00000
   67    76    77    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    78    70.00000  120.00000
   73    75    79    75.00000  111.00000
   74    76    77    35.00000  120.00000
   74    78    83    75.00000  111.00000
   76    67    69    63.00000  120.00000
   78    74    76    70.00000  120.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   68    49    53    85.00000  112.85300
   68    57    58    35.00000  109.50000
   68    57    67    85.00000  111.85700
   59    54    55    37.50000  110.70000
   59    54    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   56    53    54    50.00000  109.50000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   45    39    43    80.00000  121.38400
   40    38    39    70.00000  124.00000
   40    47    48    35.00000  117.00000
   40    47    50    70.00000  124.00000
   42    40    41    33.00000  107.80000
   47    40    41    35.00000  109.50000
   47    40    42    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    52    35.00000  120.00000
   50    47    48    35.00000  120.00000
   52    50    51    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    53    49   0.56750  1.0 1.0
   29    33    53    49  -0.07550 -1.0 2.0
   29    33    53    49   0.20000  1.0 3.0
   29    33    53    54   0.44750  1.0 1.0
   29    33    53    54  -0.17800 -1.0 2.0
   29    33    53    54   0.20200  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   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   0.09700  1.0 1.0
   33    38    40    47   0.15600 -1.0 2.0
   33    38    40    47  -0.50800  1.0 3.0
   33    53    54    55   0.15000  1.0 3.0
   33    53    54    57   0.56750  1.0 1.0
   33    53    54    57  -0.07550 -1.0 2.0
   33    53    54    57   0.20000  1.0 3.0
   33    53    54    59   0.56750  1.0 1.0
   33    53    54    59  -0.07550 -1.0 2.0
   33    53    54    59   0.20000  1.0 3.0
   33    53    56    63   0.06250  1.0 1.0
   33    53    56    63  -0.01100 -1.0 2.0
   33    53    56    63   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    53    49   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    56   0.23400  1.0 3.0
   38    33    53    49   0.31000  1.0 1.0
   38    33    53    49   0.14700 -1.0 2.0
   38    33    53    49   0.07550  1.0 3.0
   38    33    53    54   0.34400  1.0 1.0
   38    33    53    54   0.09450 -1.0 2.0
   38    33    53    54   0.11100  1.0 3.0
   38    33    53    56   0.61850  1.0 1.0
   38    33    53    56  -0.22750 -1.0 2.0
   38    33    53    56   0.15300  1.0 3.0
   38    39    43    44  -0.18600  1.0 3.0
   38    39   -43    49   0.28850  1.0 1.0
   38    39   -43    49   2.61350 -1.0 2.0
   38    39   -43    49   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   0.00000  1.0 1.0
   38    40    47    50  -0.28300  1.0 1.0
   38    40    47    50   0.26700 -1.0 2.0
   38    40    47    50  -0.63300  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  -0.28300  1.0 1.0
   39    38    40    47   0.26700 -1.0 2.0
   39    38    40    47  -0.63300  1.0 3.0
   39    43    49    53   7.00000 -1.0 2.0
   39    43    49    68   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    49   -53    33   0.09850  1.0 1.0
   43    49   -53    33   0.15250 -1.0 2.0
   43    49   -53    33  -0.50650  1.0 3.0
   43    49    53    54   0.09850  1.0 1.0
   43    49    53    54   0.15250 -1.0 2.0
   43    49    53    54  -0.50650  1.0 3.0
   43    49    53    56   0.39000  1.0 1.0
   43    49    53    56  -0.05800 -1.0 2.0
   43    49    53    56  -0.55150  1.0 3.0
   43    49    68    57  -2.26850  1.0 1.0
   43    49    68    57   3.39050 -1.0 2.0
   44    43    49    53   7.00000 -1.0 2.0
   44    43    49    68   7.00000 -1.0 2.0
   49    53    54    55   0.15000  1.0 3.0
   49    53   -54    57   0.34400  1.0 1.0
   49    53   -54    57   0.09450 -1.0 2.0
   49    53   -54    57   0.11100  1.0 3.0
   49    53    54    59   0.34400  1.0 1.0
   49    53    54    59   0.09450 -1.0 2.0
   49    53    54    59   0.11100  1.0 3.0
   49    53    56    63  -0.77900  1.0 1.0
   49    53    56    63  -0.36900 -1.0 2.0
   49    53    56    63   0.40400  1.0 3.0
   53    33   -38    39   0.09850  1.0 1.0
   53    33   -38    39   0.15250 -1.0 2.0
   53    33   -38    39  -0.50650  1.0 3.0
   53    33    38    40   0.46850  1.0 1.0
   53    33    38    40   0.08550 -1.0 2.0
   53    33    38    40   0.09800  1.0 3.0
   53    49   -68    57   2.00000 -1.0 2.0
   53    54    57    58   0.15000  1.0 3.0
   53    54    57    67  -0.03700  1.0 1.0
   53    54    57    67   0.37200 -1.0 2.0
   53    54    57    67  -0.47300  1.0 3.0
   53    54   -57    68   0.62750  1.0 1.0
   53    54   -57    68  -0.30950 -1.0 2.0
   53    54   -57    68   0.27300  1.0 3.0
   53    54    59    60   0.15000  1.0 3.0
   53    54    59    61   0.15000  1.0 3.0
   53    54    59    62   0.15000  1.0 3.0
   53    56    63    64   0.37050  1.0 3.0
   53    56    63    65   0.37050  1.0 3.0
   53    56    63    66   0.37050  1.0 3.0
   54    53    56    63   0.06250  1.0 1.0
   54    53    56    63  -0.01100 -1.0 2.0
   54    53    56    63   0.28050  1.0 3.0
   54    57    67    69   0.04150 -1.0 2.0
   54    57    67    76   0.04150 -1.0 2.0
   54    57   -68    49  -0.46850  1.0 1.0
   54    57   -68    49   0.09300 -1.0 2.0
   54    57   -68    49  -0.12850  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    67   0.43200  1.0 3.0
   55    54    57    68   0.23400  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   57    54    59    60   0.15000  1.0 3.0
   57    54    59    61   0.15000  1.0 3.0
   57    54    59    62   0.15000  1.0 3.0
   57    67    69    70   3.62500 -1.0 2.0
   57    67    69    71   3.62500 -1.0 2.0
   57    67    76    74   3.62500 -1.0 2.0
   57    67    76    77   3.62500 -1.0 2.0
   58    57    67    69   0.00000  1.0 1.0
   58    57    67    76   0.00000  1.0 1.0
   58    57    68    49   0.08050  1.0 3.0
   67    57    68    49  -0.48150  1.0 1.0
   67    57    68    49   0.09250 -1.0 2.0
   67    57    68    49  -0.12850  1.0 3.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   69    67    76    74   3.62500 -1.0 2.0
   69    67    76    77   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    78   3.62500 -1.0 2.0
   71    73    75    79   1.63200 -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    74   -76    67   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    78    83   1.63200 -1.0 2.0
   73    75    79    80   0.08050  1.0 3.0
   73    75    79    81   0.08050  1.0 3.0
   73    75    79    82   0.08050  1.0 3.0
   74    73    75    79   1.63200 -1.0 2.0
   74    78    83    84   0.08050  1.0 3.0
   74    78    83    85   0.08050  1.0 3.0
   74    78    83    86   0.08050  1.0 3.0
   76    67    69    70   3.62500 -1.0 2.0
   76    67   -69    71   3.62500 -1.0 2.0
   76    74    78    83   1.63200 -1.0 2.0
   78    74    76    67   3.62500 -1.0 2.0
   78    74    76    77   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    78   3.62500 -1.0 2.0
   68    49    53    33   0.09700  1.0 1.0
   68    49    53    33   0.15600 -1.0 2.0
   68    49    53    33  -0.50800  1.0 3.0
   68    49   -53    54   0.09700  1.0 1.0
   68    49   -53    54   0.15600 -1.0 2.0
   68    49   -53    54  -0.50800  1.0 3.0
   68    49    53    56   0.09700  1.0 1.0
   68    49    53    56   0.15600 -1.0 2.0
   68    49    53    56  -0.50800  1.0 3.0
   68    57    67    69   0.64500  1.0 1.0
   68    57    67    69   0.14800 -1.0 2.0
   68    57    67    69   0.20650  1.0 3.0
   68    57    67    76   0.64500  1.0 1.0
   68    57    67    76   0.14800 -1.0 2.0
   68    57    67    76   0.20650  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    67  -0.03700  1.0 1.0
   59    54    57    67   0.37200 -1.0 2.0
   59    54    57    67  -0.47300  1.0 3.0
   59    54    57    68   0.62750  1.0 1.0
   59    54    57    68  -0.30950 -1.0 2.0
   59    54    57    68   0.27300  1.0 3.0
   56    53    54    55   0.23400  1.0 3.0
   56    53    54    57   0.62750  1.0 1.0
   56    53    54    57  -0.30950 -1.0 2.0
   56    53    54    57   0.27300  1.0 3.0
   56    53    54    59   0.62750  1.0 1.0
   56    53    54    59  -0.30950 -1.0 2.0
   56    53    54    59   0.27300  1.0 3.0
   45    39    43    44   0.00000  1.0 1.0
   45    39    43    49   0.50950  1.0 1.0
   45    39    43    49   0.56650 -1.0 2.0
   45    39    43    49   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    50    51   7.00000 -1.0 2.0
   40    47    50    52   7.00000 -1.0 2.0
   41    40    47    48   0.33100  1.0 3.0
   41    40    47    50   0.00000  1.0 1.0
   42    40    47    48   0.33100  1.0 3.0
   42    40    47    50   0.00000  1.0 1.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    52   7.00000 -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
   33    40    38    39   1.10000 -1.0 2.0
   43    45    39    38   1.10000 -1.0 2.0
   39    44    43    49   1.10000 -1.0 2.0
   53    68    49    43   1.10000 -1.0 2.0
   69    76    67    57   4.00000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    78    74    73   4.00000 -1.0 2.0
   74    77    76    67   1.10000 -1.0 2.0
   40    48    47    50  15.00000 -1.0 2.0
   51    52    50    47  15.00000 -1.0 2.0
END
