* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    166    244     479
    1     0 S   NP   _N1_     1    28.79973    95.18653   -20.10595
    2     1 S   H    _HN1     2     1.02830    38.44893   142.93583
    3     1 S   H    _H1_     3     1.02783    85.30800   -90.30777
    4     1 S   H    _H2_     4     1.02948    85.86857    18.48741
    5     1 S   CT   _CA1     5     1.50140   149.18390   142.69193
    6     5 S   HC   _HA1     6     1.09578   105.16954    59.48368
    7     5 S   CO3  _C1_     7     1.53730   112.24100   -60.63324
    8     7 S   O2Z  _O11     8     1.26379   115.00905   -46.52318
    9     7 S   O2Z  _O12     9     1.26235   114.84335   132.24088
   10     5 S   CT   _CB1    10     1.53030   107.38165   177.28156
   11    10 S   HC   HB11    11     1.09835   109.20674   -50.22732
   12    10 S   HC   HB12    12     1.09819   110.50385    66.28633
   13    10 S   CT   _CG1    13     1.53053   112.76434  -171.26630
   14    13 S   HC   HG11    14     1.09598   110.53847   -66.56940
   15    13 S   HC   HG12    15     1.09656   109.93591    52.75432
   16    13 S   C    _CD1    16     1.51849   111.97883   172.99352
   17    16 S   O    _OE1    17     1.22763   123.15256     4.32613
   18    16 S   N    _N2_    18     1.38666   111.91124  -175.77849
   19    18 S   H    _HN2    19     1.01590   119.07575     1.02278
   20    18 S   CT1  _CA2    20     1.46260   123.09702   178.69839
   21    20 S   HC   _HA2    21     1.09745   109.24196    -7.73586
   22    20 S   C    _C2_    22     1.53390   108.50338  -123.13343
   23    22 S   O    _O2_    23     1.23033   122.34592  -147.99374
   24    20 S   CT   _CB2    32     1.53378   111.89339   114.17723
   25    24 S   HC   HB21    33     1.09278   110.11555    61.78274
   26    24 S   HC   HB22    34     1.09569   110.04641   178.97856
   27    22 S   N    _N3_    24     1.38354   113.48725    39.46174
   28    27 S   H    _HN3    25     1.01638   119.48986    -3.60994
   29    24 S   S    _SG2    35     1.82908   111.30689   -62.85221
   30    27 S   CT   _CA3    26     1.45285   123.14800   176.95490
   31    30 S   HC   HA31    27     1.09551   107.54402   -63.43040
   32    30 S   HC   HA32    28     1.09558   107.92945    52.97878
   33    29 S   CT   _C16    36     1.85767   102.30250   130.12203
   34    30 S   CO3  _C3_    29     1.52940   114.12241   174.95131
   35    34 S   O2Z  _O31    30     1.26370   116.04995    -0.64650
   36    34 S   O2Z  _O32    31     1.26426   114.41592   179.41483
   37    33 S   CT   _C15    37     1.55995   111.24930   175.25534
   38    37 S   HC   _H37    38     1.10175   107.10655   174.90922
   39    33 S   CT   _C18    89     1.53873   109.91914   -62.09236
   40    39 S   HC   _H41    90     1.09461   112.76280    68.23160
   41    39 S   HC   _H42    91     1.09523   112.21449   -53.50654
   42    39 S   HC   _H43    92     1.09698   110.58771  -173.60539
   43    37 S   CT   _C14    39     1.56281   112.75702   -67.80595
   44    43 S   HC   _H36    40     1.09927   108.47318    75.24117
   45    37 S   CO4  _C13    75     1.52750   112.32287    58.59552
   46    45 S   O    _O26    76     1.22346   125.18829   -89.46282
   47    43 S   CA   _C8_    41     1.53094   110.01340  -167.26293
   48    43 S   CM   _C10    54     1.52705   111.85242   -41.39683
   49    45 S   OS   _O29    77     1.36383   109.29721    89.57977
   50    47 S   CA   _C5_    42     1.40592   121.51241    67.25746
   51    50 S   HA   _H33    43     1.08772   120.45640     0.21850
   52    48 S   CM   _C11    55     1.35153   122.01375    13.49873
   53    48 S   CO4  _C12    62     1.48381   117.85420  -166.15591
   54    53 S   O    _O25    63     1.22109   124.30666   122.73992
   55    49 S   CT   _C22    78     1.43757   115.94298  -173.21684
   56    55 S   HC   _H53    79     1.09496   109.18476   -64.61697
   57    55 S   HC   _H54    80     1.09608   108.91390    55.85573
   58    50 S   CA   _C4_    44     1.39700   120.84954   179.83929
   59    58 S   HA   _H32    45     1.08666   119.77716  -179.76930
   60    33 S   NE   _N22    56     1.46007   109.34280    57.14581
   61    60 S   H    _H58    57     1.01552   117.86575   -83.34033
   62    52 S   CT   _C17    58     1.50803   124.70986  -179.96044
   63    62 S   HC   _H38    59     1.09488   109.98607   106.70386
   64    62 S   HC   _H39    60     1.09280   113.62508   -14.95391
   65    62 S   HC   _H40    61     1.09623   110.28526  -134.08375
   66    53 S   OS   _O28    64     1.35870   108.32728   -56.75280
   67    55 S   CT   _C23    81     1.52080   107.96063   175.57437
   68    67 S   HC   _H55    82     1.09529   109.86803   175.27719
   69    67 S   HC   _H56    83     1.09583   110.24696    54.24500
   70    58 S   CA   _C6_    46     1.39305   120.30016     0.00000
   71    70 S   HA   _H34    47     1.08643   119.01697  -179.52071
   72    66 S   CT   _C24    65     1.44161   117.02736   179.35532
   73    72 S   HC   _H57    66     1.09670   110.10626    37.10091
   74    67 S   OS   _O30    84     1.42856   108.48779   -64.91395
   75    70 S   CA   _C9_    48     1.39634   119.02166     0.00000
   76    72 S   CT   _C19    67     1.52289   107.22075   155.23446
   77    76 S   HC   _H44    68     1.09573   111.05308    58.65041
   78    76 S   HC   _H45    69     1.09419   111.34529  -180.00000
   79    76 S   HC   _H46    70     1.09542   110.30943   -59.36395
   80    72 S   CT   _C20    71     1.52392   109.50873   -84.38019
   81    80 S   HC   _H47    72     1.09525   110.92989   -58.05199
   82    80 S   HC   _H48    73     1.09427   111.15874  -178.96656
   83    80 S   HC   _H49    74     1.09484   110.92705    60.35169
   84    74 S   CT   _C21    85     1.42085   111.66052  -178.39355
   85    84 S   HC   _H50    86     1.09320   108.37460  -179.52770
   86    84 S   HC   _H51    87     1.09419   110.50932    61.48794
   87    84 S   HC   _H52    88     1.09423   110.48505   -60.66401
   88    47 S   CA   _C7_    49     1.40388   119.68474  -112.79850
   89    88 S   HA   _H35    50     1.08773   119.42345     0.44146
   90    75 S   NO2  _N23    51     1.45690   119.34946  -179.72164
   91    90 S   ON   _O24    52     1.23858   117.64367   154.31484
   92    90 S   ON   _O27    53     1.23860   117.60676   -25.60164
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  12  13
   7   8   4   9   8   2   7   5   4   6   3   5   1   3   2   1
   1  10   7   3   2   7   3   9   8   4   5   7   3   2   1   3
   2   1   1   3   2   1   1   4   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    60    61    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    60    61    62    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    88    48    52    60    61    53    45    46    49    55    39    40    41    42  
   43    44    47    48    60    45    46    49    39  
   40    41    42    43    45    52    60    61  
   41    42    60  
   42    60  
   60  
   44    47    50    51    58    75    88    89    48    52    60    62    53    54    66    45    46    49  
   47    50    88    48    52    53    45  
   46    49    55    56    57    67    47    48    60  
   49    55  
   50    51    58    59    70    75    88    89    90    48    52    53  
   52    60    61    62    63    64    65    53    54    66    72    50    88  
   55    56    57    67    68    69    74  
   51    58    59    70    71    75    88    89  
   58    59    70    88  
   60    61    62    63    64    65    53    54    66  
   54    66    72    73    76    80    60    62  
   66    72  
   56    57    67    68    69    74    84  
   57    67    68    69    74  
   67    68    69    74  
   59    70    71    75    88    90  
   70    71    75  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   72    73    76    77    78    79    80    81    82    83  
   68    69    74    84    85    86    87  
   69    74    84  
   74    84  
   71    75    88    89    90    91    92  
   75    88    90  
   73    76    77    78    79    80    81    82    83  
   76    77    78    79    80    81    82    83  
   84    85    86    87  
   88    89    90    91    92  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92  
   90  
   91    92  
   92  
    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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   91   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   92   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    60   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    88   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    70   469.000  1.400
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    88   469.000  1.400
   75    90   400.000  1.460
   88    89   367.000  1.080
   90    91   550.000  1.225
   90    92   550.000  1.225
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    60   425.000  1.378
   52    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   570.000  1.229
   53    66   214.000  1.327
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   320.000  1.410
   74    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    60    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    60    52    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    88    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    58    63.00000  120.00000
   47    88    75    63.00000  120.00000
   47    88    89    35.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    70    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    70    71    35.00000  120.00000
   58    70    75    63.00000  120.00000
   70    58    59    35.00000  120.00000
   70    75    88    63.00000  120.00000
   70    75    90    85.00000  120.00000
   75    70    71    35.00000  120.00000
   75    88    89    35.00000  120.00000
   75    90    91    80.00000  117.50000
   75    90    92    80.00000  117.50000
   88    47    50    63.00000  120.00000
   90    75    88    85.00000  120.00000
   92    90    91    80.00000  125.30000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    60    70.00000  124.03900
   48    52    62    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    66    90.00000  111.29400
   52    60    61    35.00000  114.50000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   60    33    37    80.00000  111.61500
   62    52    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    66    72    83.00000  116.90000
   66    53    54    83.00000  123.40000
   66    72    73    35.00000  109.50000
   66    72    76    50.00000  109.50000
   66    72    80    50.00000  109.50000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   76    72    73    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    72    73    37.50000  110.70000
   80    72    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    67    50.00000  109.50000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    74    50.00000  109.50000
   57    55    56    33.00000  107.80000
   67    55    56    37.50000  110.70000
   67    55    57    37.50000  110.70000
   67    74    84    60.00000  109.50000
   69    67    68    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    69    35.00000  109.50000
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    60    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    60    52  -0.12500  1.0 1.0
   29    33    60    52  -0.12500 -1.0 2.0
   29    33    60    52   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    60    52   0.25450  1.0 1.0
   37    33    60    52  -0.61700 -1.0 2.0
   37    33    60    52  -0.23550  1.0 3.0
   37    33    60    61   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    88   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    58   3.62500 -1.0 2.0
   43    47    88    75   3.62500 -1.0 2.0
   43    47    88    89   3.62500 -1.0 2.0
   43    48    52    60   7.00000 -1.0 2.0
   43    48    52    62   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    66  -0.15000  1.0 1.0
   43    48    53    66   0.89550 -1.0 2.0
   43    48    53    66  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    88   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    58    59   3.62500 -1.0 2.0
   47    50    58    70   3.62500 -1.0 2.0
   50    47    88    75   3.62500 -1.0 2.0
   50    47    88    89   3.62500 -1.0 2.0
   50    58    70    71   3.62500 -1.0 2.0
   50    58   -70    75   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    70   3.62500 -1.0 2.0
   58    70    75    88   3.62500 -1.0 2.0
   58    70    75    90   3.62500 -1.0 2.0
   59    58    70    71   3.62500 -1.0 2.0
   59    58    70    75   3.62500 -1.0 2.0
   70    75   -88    47   3.62500 -1.0 2.0
   70    75    88    89   3.62500 -1.0 2.0
   70    75    90    91   0.69950 -1.0 2.0
   70    75    90    92   0.69950 -1.0 2.0
   71    70    75    88   3.62500 -1.0 2.0
   71    70    75    90   3.62500 -1.0 2.0
   88    47    50    51   3.62500 -1.0 2.0
   88    47   -50    58   3.62500 -1.0 2.0
   88    75    90    91   0.69950 -1.0 2.0
   88    75    90    92   0.69950 -1.0 2.0
   90    75    88    47   3.62500 -1.0 2.0
   90    75    88    89   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    88   0.18050 -1.0 2.0
   48    52   -60    33  -0.54700  1.0 1.0
   48    52   -60    33   1.23000 -1.0 2.0
   48    52    60    61   1.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64   0.00000  1.0 1.0
   48    52    62    65   0.00000  1.0 1.0
   48    53    66    72   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    66  -0.56150  1.0 1.0
   52    48    53    66   2.19150 -1.0 2.0
   60    33    37    38   0.22950  1.0 3.0
   60    33   -37    43   1.26750  1.0 1.0
   60    33   -37    43  -0.00950 -1.0 2.0
   60    33   -37    43   0.30600  1.0 3.0
   60    33    37    45  -2.10200  1.0 1.0
   60    33    37    45  -0.31600 -1.0 2.0
   60    33    37    45   0.13050  1.0 3.0
   60    33    39    40   0.22950  1.0 3.0
   60    33    39    41   0.22950  1.0 3.0
   60    33    39    42   0.22950  1.0 3.0
   60    52    62    63  -0.18050  1.0 3.0
   60    52    62    64  -0.18050  1.0 3.0
   60    52    62    65  -0.18050  1.0 3.0
   62    52    60    33   1.00000 -1.0 2.0
   62    52    60    61   2.40850 -1.0 2.0
   53    48    52    60   7.00000 -1.0 2.0
   53    48    52    62   7.00000 -1.0 2.0
   53    66    72    73   0.08050  1.0 3.0
   53    66    72    76  -0.25900  1.0 1.0
   53    66    72    76  -0.47000 -1.0 2.0
   53    66    72    76   0.11750  1.0 3.0
   53    66    72    80  -0.25900  1.0 1.0
   53    66    72    80  -0.47000 -1.0 2.0
   53    66    72    80   0.11750  1.0 3.0
   54    53    66    72   3.00000 -1.0 2.0
   66    72    76    77   0.23400  1.0 3.0
   66    72    76    78   0.23400  1.0 3.0
   66    72    76    79   0.23400  1.0 3.0
   66    72    80    81   0.23400  1.0 3.0
   66    72    80    82   0.23400  1.0 3.0
   66    72    80    83   0.23400  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    82   0.15000  1.0 3.0
   73    72    80    83   0.15000  1.0 3.0
   76    72    80    81   0.15000  1.0 3.0
   76    72    80    82   0.15000  1.0 3.0
   76    72    80    83   0.15000  1.0 3.0
   80    72    76    77   0.15000  1.0 3.0
   80    72    76    78   0.15000  1.0 3.0
   80    72    76    79   0.15000  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    57   0.08050  1.0 3.0
   45    49    55    67  -0.25900  1.0 1.0
   45    49    55    67  -0.47000 -1.0 2.0
   45    49    55    67   0.11750  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   49    55    67    68   0.23400  1.0 3.0
   49    55    67    69   0.23400  1.0 3.0
   49    55    67    74   1.11900  1.0 1.0
   49    55    67    74  -1.16350 -1.0 2.0
   49    55    67    74  -0.34150  1.0 3.0
   55    67    74    84   0.06250  1.0 1.0
   55    67    74    84  -0.01100 -1.0 2.0
   55    67    74    84   0.28050  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   56    55    67    74   0.23400  1.0 3.0
   57    55    67    68   0.15000  1.0 3.0
   57    55    67    69   0.15000  1.0 3.0
   57    55    67    74   0.23400  1.0 3.0
   67    74    84    85   0.37050  1.0 3.0
   67    74    84    86   0.37050  1.0 3.0
   67    74    84    87   0.37050  1.0 3.0
   68    67    74    84   0.37050  1.0 3.0
   69    67    74    84   0.37050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    60    52   0.25450  1.0 1.0
   39    33    60    52  -0.61700 -1.0 2.0
   39    33    60    52  -0.23550  1.0 3.0
   39    33    60    61   0.00000  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   50    88    47    43   4.00000 -1.0 2.0
   58    51    50    47   1.10000 -1.0 2.0
   70    59    58    50   1.10000 -1.0 2.0
   75    71    70    58   1.10000 -1.0 2.0
   88    90    75    70   4.00000 -1.0 2.0
   75    89    88    47   1.10000 -1.0 2.0
   92    75    90    91  10.50000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   62    60    52    48   1.10000 -1.0 2.0
   61    52    60    33   1.00000 -1.0 2.0
   48    66    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
