* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    158    252     465
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C26    36     1.80605    98.11764   -78.20712
   34    33 S   HC   _H21    37     1.09354   106.92128    59.36967
   35    33 S   HC   _H22    38     1.09275   108.70002   -59.48044
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   C    _C25    39     1.52217   111.52379   179.97202
   40    39 S   O    _O39    40     1.23349   120.48575    32.67445
   41    39 S   N    _N5_    41     1.41360   115.30933  -148.68824
   42    41 S   CA   _C6_    42     1.45209   119.11106   151.40417
   43    41 S   CT   _C16    70     1.47096   121.76739   -28.51755
   44    43 S   HC   _H13    71     1.09516   107.93653    -0.04423
   45    43 S   HC   _H14    72     1.09509   107.75145  -115.58050
   46    42 S   CA   _C5_    43     1.39491   119.94177   -29.94680
   47    46 S   HA   _H5_    44     1.08713   120.59729    -0.04846
   48    43 S   CA   _C17    73     1.50149   111.99328   121.98637
   49    46 S   CA   _C4_    45     1.39437   119.95677   179.95577
   50    49 S   HA   _H4_    46     1.08755   119.37582   179.92338
   51    48 S   CA   _C18    74     1.39275   119.99648   149.54435
   52    51 S   HA   _H15    75     1.08710   120.51975    -0.02798
   53    49 S   CA   _C9_    47     1.39488   120.05347    -0.01978
   54    51 S   CA   _C19    76     1.39706   120.07180  -179.95154
   55    54 S   HA   _H16    77     1.08860   118.75589  -180.00000
   56    53 S   CA   _C8_    48     1.39560   119.95998     0.01978
   57    56 S   HA   _H7_    49     1.08713   120.56744  -180.00000
   58    53 S   C    _C10    52     1.45404   120.04983   179.95577
   59    58 S   O    _O33    53     1.24354   120.50066   154.10333
   60    54 S   CA   _C20    78     1.40203   121.21044    -0.00000
   61    42 S   CA   _C7_    50     1.39459   120.02900   150.00874
   62    61 S   HA   _H6_    51     1.08685   120.64847     0.02798
   63    58 S   N    _N4_    54     1.39975   116.98192   -26.95301
   64    63 S   H    _H8_    55     1.01461   119.28867    -3.09269
   65    60 S   CA   _C21    79     1.40863   117.71280     0.00000
   66    63 S   CT1  _C11    56     1.44533   123.53411  -178.90407
   67    66 S   HC   _H3_    57     1.09629   106.17268   -30.07402
   68    48 S   CA   _C22    80     1.39220   120.01279   -30.42761
   69    68 S   HA   _H17    81     1.08771   119.60202     0.02798
   70    65 S   C    _C23    82     1.46806   120.29858  -180.00000
   71    70 S   O    _O38    83     1.21453   128.64669  -179.95577
   72    66 S   CO3  _C15    58     1.54005   109.87738  -145.52790
   73    72 S   O2Z  _O37    59     1.26199   116.51592   -64.72361
   74    72 S   O2Z  _O36    60     1.26608   114.34522   114.90210
   75    66 S   CTJ  _C12    61     1.53554   111.06628    88.66400
   76    75 S   HC   _H9_    62     1.09683   109.72370    63.99670
   77    75 S   HC   _H10    63     1.09882   109.45725   -52.36832
   78    70 S   N    _N6_    84     1.53585   114.29002    -0.03956
   79    78 S   H    _H18    85     1.01955   120.84560  -179.92598
   80    75 S   CTI  _C13    64     1.52951   113.58209  -173.22274
   81    80 S   HC   _H11    65     1.09635   109.94006  -178.36709
   82    80 S   HC   _H12    66     1.09724   108.35111   -62.35887
   83    78 S   CDX  _C24    86     1.55914   118.89385     0.05595
   84    80 S   CO3  _C14    67     1.53249   116.28650    57.08545
   85    84 S   O2Z  _O35    68     1.26218   116.27698  -144.99511
   86    84 S   O2Z  _O34    69     1.26393   114.35369    35.78040
   87    60 S   NI   _N7_    87     1.41376   117.02721   179.97202
   88    83 S   NE   _N8_    88     1.36822   115.07779  -179.98022
   89    88 S   H    _H19    89     0.99523   118.39568   180.00000
   90    88 S   H    _H20    90     0.99485   118.43300    -0.05935
  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   6   5   4   3
   7   4   3   2   1   1   9   3  13  13  11   4   3   8   4   9
   8   3   8   4   9   7   3   6   3   8   3   9   1   1  10   4
   8  11   7   5   1   6   3   6   2   1   8   5   4   6   3   5
   4   3   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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    46    61    43    44    45    48  
   41    42    43  
   42    46    47    49    56    61    62    43    44    45    48    51    68  
   46    47    49    50    53    56    57    61    62    43    44    45    48  
   44    45    48    51    52    54    65    68    69    46    61  
   45    48    51    68  
   48    51    68  
   47    49    50    53    56    61    62    58  
   49    50    53    61  
   51    52    54    55    60    65    68    69    70  
   50    53    56    57    61    58    59    63  
   53    56    58  
   52    54    55    60    65    68    69    87  
   54    55    60    68  
   56    57    61    62    58    59    63    64    66  
   55    60    65    68    70    83    87  
   60    65    87  
   57    61    62    58    59    63  
   61    62    58  
   59    63    64    66    67    72    75    61  
   63    64    66  
   65    68    69    70    71    78    83    87    88  
   62  
    0  
   64    66    67    72    73    74    75    76    77    80  
   66    67    72    75  
   68    69    70    71    78    79    83    87  
   67    72    73    74    75    76    77    80    81    82    84  
   72    73    74    75    76    77    80  
   69    70    71    78    87  
   70  
   71    78    79    83    87    88  
   78    79    83  
   73    74    75    76    77    80  
   74    75  
   75  
   76    77    80    81    82    84    85    86  
   77    80    81    82    84  
   80    81    82    84  
   79    83    87    88    89    90  
   83    87    88  
   81    82    84    85    86  
   82    84    85    86  
   84    85    86  
   87    88    89    90  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.065000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5500   0.0700   0.030800   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   79   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.7500   0.1050   0.679600   2.1120   1.8750   0.001000000  -0.126889456
   84   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   3.2800   0.1700  -0.522900   1.9250   1.7000   0.054801302  -2.445846770
   88   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   89   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   90   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   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   360.000  1.404
   41    43   337.000  1.449
   42    46   469.000  1.400
   42    61   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    56   469.000  1.400
   53    58   400.000  1.490
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   58    59   570.000  1.229
   58    63   490.000  1.335
   63    64   434.000  1.010
   63    66   337.000  1.449
   66    67   340.000  1.090
   66    72   317.000  1.522
   66    75   268.000  1.529
   72    73   656.000  1.250
   72    74   656.000  1.250
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   317.000  1.522
   84    85   656.000  1.250
   84    86   656.000  1.250
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    51   469.000  1.400
   48    68   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    65   469.000  1.400
   60    87   400.000  1.385
   65    68   469.000  1.400
   65    70   400.000  1.490
   68    69   367.000  1.080
   70    71   570.000  1.229
   70    78   490.000  1.335
   78    79   434.000  1.010
   78    83   400.000  1.380
   83    87   650.000  1.285
   83    88   445.000  1.380
   88    89   434.000  1.010
   88    90   434.000  1.010
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    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  121.96500
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    42    46    70.00000  119.01900
   41    42    61    70.00000  119.01900
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    48    75.00000  111.96400
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   42    61    56    63.00000  120.00000
   42    61    62    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    53    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    53    56    63.00000  120.00000
   49    53    58    85.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   53    58    59    80.00000  120.40000
   53    58    63    75.00000  113.92100
   56    61    62    35.00000  120.00000
   61    42    46    63.00000  120.00000
   61    56    57    35.00000  120.00000
   58    53    56    85.00000  120.00000
   58    63    64    35.00000  119.80000
   58    63    66    50.00000  121.90000
   63    58    59    80.00000  122.90000
   63    66    67    35.00000  109.50000
   63    66    72    63.00000  110.10000
   63    66    75    80.00000  109.70000
   66    63    64    38.00000  118.40000
   66    72    73    70.00000  117.00000
   66    72    74    70.00000  117.00000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    80    58.35000  112.70000
   72    66    67    35.00000  109.50000
   74    72    73    80.00000  126.00000
   75    66    67    37.50000  110.70000
   75    66    72    63.00000  111.10000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    84    63.00000  111.10000
   77    75    76    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    37.50000  110.70000
   80    84    85    70.00000  117.00000
   80    84    86    70.00000  117.00000
   82    80    81    33.00000  107.80000
   84    80    81    35.00000  109.50000
   84    80    82    35.00000  109.50000
   86    84    85    80.00000  126.00000
   43    41    42    70.00000  121.06000
   43    48    51    70.00000  120.00000
   43    48    68    70.00000  120.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    51    52    35.00000  120.00000
   48    51    54    63.00000  120.00000
   48    68    65    63.00000  120.00000
   48    68    69    35.00000  120.00000
   51    54    55    35.00000  120.00000
   51    54    60    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    60    65    63.00000  120.00000
   54    60    87    70.00000  120.44500
   60    54    55    35.00000  120.00000
   60    65    68    63.00000  120.00000
   60    65    70    85.00000  120.00000
   60    87    83    70.00000  111.79000
   65    68    69    35.00000  120.00000
   65    70    71    80.00000  120.40000
   65    70    78    75.00000  113.92100
   68    48    51    63.00000  120.00000
   70    65    68    85.00000  120.00000
   70    78    79    35.00000  119.80000
   70    78    83    70.00000  120.51600
   78    70    71    80.00000  122.90000
   78    83    87    80.00000  119.04400
   78    83    88    85.00000  111.44000
   83    78    79    45.00000  120.05200
   83    88    89    35.00000  119.50000
   83    88    90    35.00000  119.50000
   87    60    65    70.00000  120.44500
   88    83    87    75.00000  124.36500
   90    88    89    35.00000  109.00000
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    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   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   0.76000  1.0 1.0
   33    39    41    42   4.11600 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    46   1.00100  1.0 1.0
   39    41    42    46   0.85050 -1.0 2.0
   39    41    42    61   1.00100  1.0 1.0
   39    41    42    61   0.85050 -1.0 2.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45   0.00000  1.0 1.0
   39    41    43    48  -0.69800  1.0 1.0
   39    41    43    48  -0.21350 -1.0 2.0
   40    39    41    42   0.04000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    42    46    47   3.62500 -1.0 2.0
   41    42    46    49   3.62500 -1.0 2.0
   41    42    61    56   3.62500 -1.0 2.0
   41    42    61    62   3.62500 -1.0 2.0
   41    43    48    51  -0.24500  1.0 1.0
   41    43    48    51   0.48300 -1.0 2.0
   41    43    48    51   0.08900  1.0 3.0
   41    43    48    68  -0.24500  1.0 1.0
   41    43    48    68   0.48300 -1.0 2.0
   41    43    48    68   0.08900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    48   0.17850 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   46    42    61    56   3.62500 -1.0 2.0
   46    42    61    62   3.62500 -1.0 2.0
   46    49   -53    56   3.62500 -1.0 2.0
   46    49    53    58   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53    56    61   3.62500 -1.0 2.0
   49    53    58    59   1.05000 -1.0 2.0
   49    53    58    63   0.75700  1.0 1.0
   49    53    58    63   0.34650 -1.0 2.0
   49    53    58    63   0.33000  1.0 3.0
   49    53    58    63  -0.28100 -1.0 4.0
   50    49    53    56   3.62500 -1.0 2.0
   50    49    53    58   3.62500 -1.0 2.0
   53    56   -61    42   3.62500 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   53    58    63    64   2.56700 -1.0 2.0
   53    58    63    66   1.49850  1.0 1.0
   53    58    63    66   1.53950 -1.0 2.0
   56    53    58    59   1.05000 -1.0 2.0
   56    53    58    63   0.75700  1.0 1.0
   56    53    58    63   0.34650 -1.0 2.0
   56    53    58    63   0.33000  1.0 3.0
   56    53    58    63  -0.28100 -1.0 4.0
   57    56    61    42   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   61    42    46    47   3.62500 -1.0 2.0
   61    42   -46    49   3.62500 -1.0 2.0
   58    53    56    57   3.62500 -1.0 2.0
   58    53    56    61   3.62500 -1.0 2.0
   58    63    66    67   0.00000  1.0 1.0
   58    63    66    72  -0.29800  1.0 1.0
   58    63    66    72   0.13950 -1.0 2.0
   58    63    66    72  -2.45650  1.0 3.0
   58    63    66    75   0.25950  1.0 1.0
   58    63    66    75   0.43850 -1.0 2.0
   58    63    66    75   2.61650  1.0 3.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    66   3.04450 -1.0 2.0
   63    66    72    73   0.00000  1.0 1.0
   63    66    72    74   0.00000  1.0 1.0
   63    66    75    76   0.23200  1.0 3.0
   63    66    75    77   0.23200  1.0 3.0
   63    66    75    80   1.79450  1.0 1.0
   63    66    75    80   1.06000 -1.0 2.0
   63    66    75    80  -0.53000  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    72   0.00000  1.0 1.0
   64    63    66    75   0.00000  1.0 1.0
   66    75    80    81   0.15000  1.0 3.0
   66    75    80    82   0.15000  1.0 3.0
   66    75    80    84  -1.59250  1.0 1.0
   66    75    80    84  -0.41250 -1.0 2.0
   66    75    80    84   0.24650  1.0 3.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    80   0.15000  1.0 3.0
   72    66    75    76  -0.03800  1.0 3.0
   72    66    75    77  -0.03800  1.0 3.0
   72    66    75    80  -0.76350  1.0 1.0
   72    66    75    80   1.70300 -1.0 2.0
   75    66    72    73   0.00000  1.0 1.0
   75    66    72    74   0.00000  1.0 1.0
   75    80    84    85   0.27300 -1.0 2.0
   75    80    84    86   0.27300 -1.0 2.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    84  -0.11250  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    84  -0.11250  1.0 3.0
   81    80    84    85   0.00000  1.0 1.0
   81    80    84    86   0.00000  1.0 1.0
   82    80    84    85   0.00000  1.0 1.0
   82    80    84    86   0.00000  1.0 1.0
   43    41    42    46   0.81400  1.0 1.0
   43    41    42    46   1.55550 -1.0 2.0
   43    41    42    61   0.81400  1.0 1.0
   43    41    42    61   1.55550 -1.0 2.0
   43    48    51    52   3.62500 -1.0 2.0
   43    48    51    54   3.62500 -1.0 2.0
   43    48    68    65   3.62500 -1.0 2.0
   43    48    68    69   3.62500 -1.0 2.0
   44    43    48    51   0.00000  1.0 1.0
   44    43    48    68   0.00000  1.0 1.0
   45    43    48    51   0.00000  1.0 1.0
   45    43    48    68   0.00000  1.0 1.0
   48    51    54    55   3.62500 -1.0 2.0
   48    51    54    60   3.62500 -1.0 2.0
   51    48    68    65   3.62500 -1.0 2.0
   51    48    68    69   3.62500 -1.0 2.0
   51    54   -60    65   3.62500 -1.0 2.0
   51    54    60    87   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    60   3.62500 -1.0 2.0
   54    60    65    68   3.62500 -1.0 2.0
   54    60    65    70   3.62500 -1.0 2.0
   54    60    87    83   1.25000 -1.0 2.0
   55    54    60    65   3.62500 -1.0 2.0
   55    54    60    87   3.62500 -1.0 2.0
   60    65   -68    48   3.62500 -1.0 2.0
   60    65    68    69   3.62500 -1.0 2.0
   60    65    70    71   1.05000 -1.0 2.0
   60    65    70    78   0.75700  1.0 1.0
   60    65    70    78   0.34650 -1.0 2.0
   60    65    70    78   0.33000  1.0 3.0
   60    65    70    78  -0.28100 -1.0 4.0
   65    60    87    83   1.25000 -1.0 2.0
   65    70    78    79   2.56700 -1.0 2.0
   65    70   -78    83   2.45000 -1.0 2.0
   68    48    51    52   3.62500 -1.0 2.0
   68    48   -51    54   3.62500 -1.0 2.0
   68    65    70    71   1.05000 -1.0 2.0
   68    65    70    78   0.75700  1.0 1.0
   68    65    70    78   0.34650 -1.0 2.0
   68    65    70    78   0.33000  1.0 3.0
   68    65    70    78  -0.28100 -1.0 4.0
   70    65    68    48   3.62500 -1.0 2.0
   70    65    68    69   3.62500 -1.0 2.0
   70    78    83    87  -0.56400  1.0 1.0
   70    78    83    87   0.77500 -1.0 2.0
   70    78    83    87   0.18700  1.0 3.0
   70    78    83    88  -0.56400  1.0 1.0
   70    78    83    88   0.77500 -1.0 2.0
   70    78    83    88   0.18700  1.0 3.0
   71    70    78    79   2.45000 -1.0 2.0
   71    70    78    83   2.67200 -1.0 2.0
   78    83   -87    60   6.00000 -1.0 2.0
   78    83    88    89   1.00000 -1.0 2.0
   78    83    88    90   1.00000 -1.0 2.0
   79    78    83    87   1.00000 -1.0 2.0
   79    78    83    88   1.00000 -1.0 2.0
   87    60    65    68   3.62500 -1.0 2.0
   87    60   -65    70   3.62500 -1.0 2.0
   87    83    88    89   1.50000 -1.0 2.0
   87    83    88    90   1.50000 -1.0 2.0
   88    83    87    60   6.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   43    39    41    42   1.00000 -1.0 2.0
   46    61    42    41   4.00000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   56    58    53    49   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   56    62    61    42   1.10000 -1.0 2.0
   53    63    58    59  10.50000 -1.0 2.0
   64    58    63    66   1.00000 -1.0 2.0
   73    66    72    74  10.50000 -1.0 2.0
   85    80    84    86  10.50000 -1.0 2.0
   51    68    48    43   4.00000 -1.0 2.0
   54    52    51    48   1.10000 -1.0 2.0
   60    55    54    51   1.10000 -1.0 2.0
   65    87    60    54   4.00000 -1.0 2.0
   68    70    65    60   4.00000 -1.0 2.0
   65    69    68    48   1.10000 -1.0 2.0
   65    78    70    71  10.50000 -1.0 2.0
   79    70    78    83   1.00000 -1.0 2.0
   78    88    83    87  10.50000 -1.0 2.0
   90    83    88    89   1.00000 -1.0 2.0
END
