* LIGAND DATABASE FILE (OPLS2005)
*
001      89    88    162    240     481
    1     0 S   NP   _N1_     1    28.82046    96.56231   -24.30021
    2     1 S   H    _HN1     2     1.02828    37.26667   173.24634
    3     1 S   H    _H1_     3     1.02787   110.45497   -93.81563
    4     1 S   H    _H2_     4     1.02949    71.17032     9.37239
    5     1 S   CT   _CA1     5     1.50119   133.76795   109.93761
    6     5 S   HC   _HA1     6     1.09573   105.18701    94.60817
    7     5 S   CO3  _C1_     7     1.53786   112.46624   -25.62625
    8     7 S   O2Z  _O11     8     1.26375   115.00533   -42.40743
    9     7 S   O2Z  _O12     9     1.26240   114.94848   136.69473
   10     5 S   CT   _CB1    10     1.53075   107.41399  -147.40199
   11    10 S   HC   HB11    11     1.09835   109.37300   -49.52069
   12    10 S   HC   HB12    12     1.09812   110.44861    67.08722
   13    10 S   CT   _CG1    13     1.52997   112.61277  -170.48200
   14    13 S   HC   HG11    14     1.09578   110.65746   -65.95519
   15    13 S   HC   HG12    15     1.09670   109.76387    53.28328
   16    13 S   C    _CD1    16     1.51804   112.17042   173.75327
   17    16 S   O    _OE1    17     1.22739   123.26058     8.30373
   18    16 S   N    _N2_    18     1.38656   111.71304  -171.78800
   19    18 S   H    _HN2    19     1.01577   118.94514     1.64568
   20    18 S   CT1  _CA2    20     1.46209   123.39091   177.40173
   21    20 S   HC   _HA2    21     1.09738   109.33192     4.49122
   22    20 S   C    _C2_    22     1.53592   108.68900  -111.00867
   23    22 S   O    _O2_    23     1.23067   122.26435  -148.01397
   24    20 S   CT   _CB2    32     1.53359   111.62246   126.46761
   25    24 S   HC   HB21    33     1.09587   110.04624    56.49151
   26    24 S   HC   HB22    34     1.09415   110.00876   175.47740
   27    22 S   N    _N3_    24     1.38322   113.75971    39.43657
   28    27 S   H    _HN3    25     1.01571   119.59935    -3.25588
   29    24 S   S    _SG2    35     1.82790   111.48807   -64.23715
   30    27 S   CT   _CA3    26     1.45286   123.23968   177.16262
   31    30 S   HC   HA31    27     1.09549   107.50493   -64.80299
   32    30 S   HC   HA32    28     1.09557   107.99656    51.64515
   33    29 S   CT   _C13    36     1.85192    99.73121   176.92648
   34    33 S   HC   _H5_    37     1.09700   105.98222   -36.14107
   35    30 S   CO3  _C3_    29     1.52967   114.06465   173.64649
   36    35 S   O2Z  _O31    30     1.26380   116.07156    -0.65879
   37    35 S   O2Z  _O32    31     1.26428   114.41320   179.40587
   38    33 S   CT   _C14    38     1.54172   108.86870    81.36840
   39    38 S   HC   _H19    39     1.09689   109.66714   -53.14253
   40    38 S   HC   _H20    40     1.09746   110.52918    63.86788
   41    33 S   CT   _C12    62     1.55081   111.21620  -152.20567
   42    41 S   HC   _H4_    63     1.09611   108.18931   174.36528
   43    38 S   CT   _C15    41     1.53340   113.20045  -173.35506
   44    43 S   HC   _H21    42     1.09495   110.29831   -64.04874
   45    43 S   HC   _H22    43     1.09659   109.55291    53.92191
   46    41 S   CM   _C11    64     1.50621   115.50993   -62.37726
   47    46 S   HC   _H18    65     1.08735   117.20487    66.88669
   48    41 S   OH   _O35    88     1.43145   109.14034    60.59634
   49    48 S   HO   _H33    89     0.97260   107.65614  -178.52382
   50    43 S   CT   _C16    44     1.53079   111.19440   175.15208
   51    50 S   HC   _H23    45     1.09685   109.53173    58.26429
   52    50 S   HC   _H24    46     1.09678   109.61161   -59.06271
   53    46 S   CM   _C10    66     1.34218   123.74457  -113.91808
   54    53 S   HC   _H17    67     1.08758   119.48014     0.47313
   55    50 S   CT   _C17    47     1.52957   111.31046   179.59122
   56    55 S   HC   _H25    48     1.09682   109.56625   -58.65461
   57    55 S   HC   _H26    49     1.09680   109.56520    58.63279
   58    53 S   CT   _C9_    68     1.50087   123.80755  -179.89165
   59    58 S   HC   _H3_    69     1.09642   110.93540    -5.97835
   60    55 S   CT   _C18    50     1.52956   111.32592   180.00000
   61    60 S   HC   _H27    51     1.09681   109.55825    58.58774
   62    60 S   HC   _H28    52     1.09681   109.56032   -58.70026
   63    58 S   CT   _C8_    70     1.53427   112.78574   117.75530
   64    63 S   HC   _H15    71     1.09830   109.82011    57.92039
   65    63 S   HC   _H16    72     1.09803   108.71042   172.70316
   66    58 S   OH   _O36    86     1.42743   107.05348  -122.73962
   67    66 S   HO   _H34    87     0.97230   107.47587   176.80911
   68    60 S   CT   _C19    53     1.52966   111.32634   179.94065
   69    68 S   HC   _H29    54     1.09703   109.54587    58.46506
   70    68 S   HC   _H30    55     1.09703   109.53941   -58.47454
   71    63 S   CT   _C7_    73     1.53080   113.25286   -65.44534
   72    71 S   HC   _H13    74     1.09675   109.50296   -55.60957
   73    71 S   HC   _H14    75     1.09616   110.10519    62.07313
   74    68 S   CT   _C20    56     1.52538   111.41273   180.00000
   75    74 S   HC   _H31    57     1.09714   109.44773    58.63785
   76    74 S   HC   _H32    58     1.09714   109.44550   -58.67199
   77    71 S   CT   _C6_    76     1.53015   111.23499  -176.80402
   78    77 S   HC   _H11    77     1.09683   109.59741    58.71610
   79    77 S   HC   _H12    78     1.09685   109.55998   -58.57517
   80    74 S   CO3  _C21    59     1.53215   115.24710   179.98022
   81    80 S   O2Z  _O34    60     1.26528   114.02548   179.90109
   82    80 S   O2Z  _O33    61     1.26134   116.67923    -0.10468
   83    77 S   CT   _C5_    79     1.52851   111.31668  -179.93744
   84    83 S   HC   _H9_    80     1.09623   109.86857    58.87804
   85    83 S   HC   _H10    81     1.09622   109.86381   -58.84864
   86    83 S   CT   _C4_    82     1.52035   111.49322  -180.00000
   87    86 S   HC   _H6_    83     1.09468   111.00101    60.27447
   88    86 S   HC   _H7_    84     1.09449   110.26099  -180.00000
   89    86 S   HC   _H8_    85     1.09469   111.00129   -60.24570
  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  10   5   4   3
  15   8   2   1   1  13   6   5   9   5   9   5   4   9   4   2
   1   9   5   4   9   4   9   5   4  10   6   9   5   4  11   6
   5   2   1   8   5   4   9   5   4   5   4   3   9   5   4   2
   1   1   6   5   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    41    42    46    47    53    48    49  
   38    39    40    43    41    42    46    48  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    52    55    41    42    46    48  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    53    54    58    48    49    43  
   46    47    53    48    49  
   44    45    50    51    52    55    56    57    60  
   45    50    51    52    55  
   50    51    52    55  
   47    53    54    58    59    63    66    48    49  
   53    54    58    48  
   49    53  
    0  
   51    52    55    56    57    60    61    62    68  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    63    64    65    71    66    67  
   58    59    63    66  
   56    57    60    61    62    68    69    70    74  
   57    60    61    62    68  
   60    61    62    68  
   59    63    64    65    71    72    73    77    66    67  
   63    64    65    71    66    67  
   61    62    68    69    70    74    75    76    80  
   62    68    69    70    74  
   68    69    70    74  
   64    65    71    72    73    77    78    79    83    66    67  
   65    71    72    73    77    66  
   71    72    73    77    66  
   67    71  
    0  
   69    70    74    75    76    80    81    82  
   70    74    75    76    80  
   74    75    76    80  
   72    73    77    78    79    83    84    85    86  
   73    77    78    79    83  
   77    78    79    83  
   75    76    80    81    82  
   76    80    81    82  
   80    81    82  
   78    79    83    84    85    86    87    88    89  
   79    83    84    85    86  
   83    84    85    86  
   81    82  
   82  
    0  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   317.000  1.522
   80    81   656.000  1.250
   80    82   656.000  1.250
   41    42   340.000  1.090
   41    46   317.000  1.510
   41    48   320.000  1.410
   46    47   340.000  1.080
   46    53   549.000  1.340
   53    54   340.000  1.080
   53    58   317.000  1.510
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   66    67   553.000  0.945
   48    49   553.000  0.945
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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    70.00000  112.02700
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    55    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    68    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    70.00000  109.69300
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    80    81    70.00000  117.00000
   74    80    82    70.00000  117.00000
   76    74    75    33.00000  107.80000
   80    74    75    35.00000  109.50000
   80    74    76    35.00000  109.50000
   82    80    81    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    35.00000  117.00000
   41    46    53    70.00000  124.00000
   41    48    49    55.00000  108.50000
   46    41    42    35.00000  109.50000
   46    53    54    35.00000  120.00000
   46    53    58    70.00000  124.00000
   53    46    47    35.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    63    70.00000  112.02700
   53    58    66    90.00000  110.39200
   58    53    54    35.00000  117.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    71    58.35000  112.70000
   58    66    67    55.00000  108.50000
   63    58    59    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    77    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    83    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    58.35000  112.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   66    58    59    35.00000  109.50000
   66    58    63    50.00000  109.50000
   48    41    42    35.00000  109.50000
   48    41    46    90.00000  110.39200
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.56750  1.0 1.0
   33    38    43    50  -0.07550 -1.0 2.0
   33    38    43    50   0.20000  1.0 3.0
   33    41    46    47   0.00000  1.0 1.0
   33    41    46    53   0.09850  1.0 1.0
   33    41    46    53   0.15250 -1.0 2.0
   33    41    46    53  -0.50650  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46   0.34400  1.0 1.0
   38    33    41    46   0.09450 -1.0 2.0
   38    33    41    46   0.11100  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.15000  1.0 3.0
   38    43    50    55   0.56750  1.0 1.0
   38    43    50    55  -0.07550 -1.0 2.0
   38    43    50    55   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    55    56   0.15000  1.0 3.0
   43    50    55    57   0.15000  1.0 3.0
   43    50    55    60   0.56750  1.0 1.0
   43    50    55    60  -0.07550 -1.0 2.0
   43    50    55    60   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    55   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    55   0.15000  1.0 3.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    68   0.56750  1.0 1.0
   50    55    60    68  -0.07550 -1.0 2.0
   50    55    60    68   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    60    68    69   0.15000  1.0 3.0
   55    60    68    70   0.15000  1.0 3.0
   55    60    68    74   0.56750  1.0 1.0
   55    60    68    74  -0.07550 -1.0 2.0
   55    60    68    74   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    68   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    68   0.15000  1.0 3.0
   60    68    74    75   0.15000  1.0 3.0
   60    68    74    76   0.15000  1.0 3.0
   60    68    74    80  -1.63150  1.0 1.0
   60    68    74    80  -0.43550 -1.0 2.0
   60    68    74    80   0.24500  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    74   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    74   0.15000  1.0 3.0
   68    74    80    81   0.41150 -1.0 2.0
   68    74    80    82   0.41150 -1.0 2.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80  -0.11250  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    80  -0.11250  1.0 3.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    82   0.00000  1.0 1.0
   76    74    80    81   0.00000  1.0 1.0
   76    74    80    82   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    46    53    54   7.00000 -1.0 2.0
   41    46    53    58   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    53   0.00000  1.0 1.0
   42    41    48    49   0.19450  1.0 3.0
   46    41    48    49  -0.07800  1.0 1.0
   46    41    48    49  -0.21500 -1.0 2.0
   46    41    48    49  -0.03150  1.0 3.0
   46    53    58    59   0.00000  1.0 1.0
   46    53    58    63   0.09850  1.0 1.0
   46    53    58    63   0.15250 -1.0 2.0
   46    53    58    63  -0.50650  1.0 3.0
   46    53    58    66   0.67800  1.0 1.0
   46    53    58    66   0.47050 -1.0 2.0
   46    53    58    66  -0.62500  1.0 3.0
   47    46    53    54   7.00000 -1.0 2.0
   47    46    53    58   7.00000 -1.0 2.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    71   0.34400  1.0 1.0
   53    58    63    71   0.09450 -1.0 2.0
   53    58    63    71   0.11100  1.0 3.0
   53    58    66    67  -0.07800  1.0 1.0
   53    58    66    67  -0.21500 -1.0 2.0
   53    58    66    67  -0.03150  1.0 3.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    63   0.00000  1.0 1.0
   54    53    58    66   0.00000  1.0 1.0
   58    63    71    72   0.15000  1.0 3.0
   58    63    71    73   0.15000  1.0 3.0
   58    63    71    77   0.56750  1.0 1.0
   58    63    71    77  -0.07550 -1.0 2.0
   58    63    71    77   0.20000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    71   0.15000  1.0 3.0
   59    58    66    67   0.19450  1.0 3.0
   63    58    66    67  -0.11600  1.0 1.0
   63    58    66    67  -0.09450 -1.0 2.0
   63    58    66    67   0.21250  1.0 3.0
   63    71    77    78   0.15000  1.0 3.0
   63    71    77    79   0.15000  1.0 3.0
   63    71    77    83   0.56750  1.0 1.0
   63    71    77    83  -0.07550 -1.0 2.0
   63    71    77    83   0.20000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    77   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    77   0.15000  1.0 3.0
   71    77    83    84   0.15000  1.0 3.0
   71    77    83    85   0.15000  1.0 3.0
   71    77    83    86   0.56750  1.0 1.0
   71    77    83    86  -0.07550 -1.0 2.0
   71    77    83    86   0.20000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    83   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    83   0.15000  1.0 3.0
   77    83    86    87   0.15000  1.0 3.0
   77    83    86    88   0.15000  1.0 3.0
   77    83    86    89   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
   66    58    63    64   0.23400  1.0 3.0
   66    58    63    65   0.23400  1.0 3.0
   66    58    63    71   0.86500  1.0 1.0
   66    58    63    71  -0.17500 -1.0 2.0
   66    58    63    71   0.20800  1.0 3.0
   48    41    46    47   0.00000  1.0 1.0
   48    41    46    53   0.67800  1.0 1.0
   48    41    46    53   0.47050 -1.0 2.0
   48    41    46    53  -0.62500  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
   81    74    80    82  10.50000 -1.0 2.0
   41    47    46    53  15.00000 -1.0 2.0
   58    54    53    46  15.00000 -1.0 2.0
END
