* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    152    236     429
    1     0 S   NP   _N1_     1    28.83291    94.31901   -17.15615
    2     1 S   H    _HN1     2     1.03093   108.26933    42.02084
    3     1 S   H    _H1_     3     1.02826    38.97317   136.52880
    4     1 S   H    _H2_     4     1.02765    70.61320   -61.49361
    5     1 S   CT   _CA1     5     1.50080   137.09588  -163.72828
    6     5 S   HC   _HA1     6     1.09561   105.27983    22.69317
    7     5 S   CO3  _C1_     7     1.53796   112.16856   -97.71578
    8     7 S   O2Z  _O11     8     1.26352   115.00990   -48.14930
    9     7 S   O2Z  _O12     9     1.26222   114.91843   130.95684
   10     5 S   CT   _CB1    10     1.52995   107.52787   140.67352
   11    10 S   HC   HB11    11     1.09799   109.58498   -48.71013
   12    10 S   HC   HB12    12     1.09690   110.29303    68.07256
   13    10 S   CT   _CG1    13     1.53001   112.78051  -170.13538
   14    13 S   HC   HG11    14     1.09547   110.24368   -57.97558
   15    13 S   HC   HG12    15     1.09590   110.38698    61.20074
   16    13 S   C    _CD1    16     1.51802   111.48973  -178.92062
   17    16 S   O    _OE1    17     1.22768   122.89470   -22.53100
   18    16 S   N    _N2_    18     1.38530   112.04840   158.45438
   19    18 S   H    _HN2    19     1.01563   119.17123     2.31037
   20    18 S   CT1  _CA2    20     1.46300   123.25460  -175.22152
   21    20 S   HC   _HA2    21     1.09732   109.46273   -13.58591
   22    20 S   C    _C2_    22     1.53311   108.30154  -129.49725
   23    22 S   O    _O2_    23     1.23003   122.34313  -144.41164
   24    20 S   CT   _CB2    32     1.53601   111.02280   108.35165
   25    24 S   HC   HB21    33     1.09257   109.03015    57.61159
   26    24 S   HC   HB22    34     1.09515   110.41475   175.70723
   27    22 S   N    _N3_    24     1.38542   113.27438    42.90209
   28    27 S   H    _HN3    25     1.01530   118.89237    -0.48658
   29    24 S   S    _SG2    35     1.82906   111.01875   -65.27849
   30    27 S   CT   _CA3    26     1.45432   123.32594   175.03154
   31    30 S   HC   HA31    27     1.09533   109.06257    27.51608
   32    30 S   HC   HA32    28     1.09490   107.16096   144.50622
   33    29 S   CT   _C21    36     1.90041   103.24261   150.86526
   34    30 S   CO3  _C3_    29     1.52945   113.26244   -95.82754
   35    34 S   O2Z  _O31    30     1.26391   115.48243   -42.51945
   36    34 S   O2Z  _O32    31     1.26367   114.92813   138.42412
   37    33 S   CM   _C12    37     1.55215   104.74929   170.41118
   38    33 S   CT   _C22    72     1.55479   108.30666    50.77732
   39    38 S   HC   _H17    73     1.09626   110.84622    55.45301
   40    38 S   HC   _H18    74     1.09451   110.70965   -63.15471
   41    37 S   N4   _N8_    38     1.36419   119.46466    96.36053
   42    37 S   CMA  _C13    69     1.53515   120.63098   -74.84275
   43    42 S   OM   _O4_    70     1.26361   120.02723  -103.76848
   44    42 S   OM   _O5_    71     1.26331   121.47010    77.27371
   45    38 S   S    _S3_    75     1.83336   114.32691   177.87256
   46    41 S   C4   _C5_    39     1.35330   136.79601  -163.28595
   47    46 S   O    _O1_    40     1.20860   134.55020    -4.82657
   48    41 S   C4T  _C20    43     1.45038   126.53336    23.70968
   49    48 S   HC   _H16    44     1.09796   111.86430    77.46684
   50    45 S   CO4  _C18    76     1.76319    99.04618  -167.42752
   51    50 S   O    _O6_    77     1.22561   120.98281   -44.12031
   52    46 S   C4T  _C4_    41     1.57201    89.31644   170.71583
   53    52 S   HC   _H4_    42     1.09452   114.14674   127.75618
   54    48 S   S    _S2_    45     1.80517   111.15768   -50.49606
   55    50 S   C5A  _C17    78     1.44080   114.35753   137.05204
   56    33 S   CT   _C19    46     1.56019   107.30496   -68.24186
   57    56 S   HC   _H14    47     1.09306   112.38885    54.79342
   58    56 S   HC   _H15    48     1.09545   110.75399   172.51376
   59    52 S   N    _N4_    49     1.47951   112.90172  -102.76197
   60    59 S   H    _H3_    50     1.01915   119.00302   106.96094
   61    55 S   C5BC _C15    79     1.38460   134.47066    -5.42065
   62    61 S   HA   _H12    80     1.08139   126.63657    -0.28255
   63    59 S   C    _C10    51     1.37849   122.40743   -64.96384
   64    63 S   O    _O33    52     1.22061   128.49668   -13.13980
   65    61 S   C5BC _C14    81     1.41587   106.97302  -179.71745
   66    65 S   HA   _H11    82     1.08035   127.54080   179.77100
   67    63 S   CD   _C9_    53     1.50742   112.59869   162.82195
   68    65 S   C5A  _C16    83     1.37261   106.05856     0.05595
   69    68 S   HA   _H13    84     1.08022   133.81868   179.84934
   70    67 S   C5B  _C7_    54     1.45380   118.55644   -74.58743
   71    67 S   NI   _N6_    63     1.29800   122.49109   105.19805
   72    55 S   OA   _O7_    85     1.37116   116.62322   175.00041
   73    70 S   C5A  _C6_    55     1.38086   126.30903  -174.86241
   74    73 S   HA   _H5_    56     1.08069   128.96139     1.08679
   75    71 S   OS   _O3_    64     1.40201   111.01005    -0.28046
   76    73 S   SA   _S1_    57     1.71388   110.02461  -178.55409
   77    75 S   CT   _C11    65     1.41911   108.39855   177.90109
   78    77 S   HC   _H6_    66     1.09314   108.46558  -178.69734
   79    77 S   HC   _H7_    67     1.09406   110.34626    62.34332
   80    77 S   HC   _H8_    68     1.09441   110.39616   -59.65878
   81    76 S   CRA  _C8_    58     1.72322    90.03725    -0.10835
   82    70 S   N5B  _N5_    59     1.38674   119.36516     6.02617
   83    81 S   NE   _N7_    60     1.34579   120.88224   179.54030
   84    83 S   H    _H9_    61     1.01899   121.28274  -178.15729
   85    83 S   H    _H10    62     1.01302   122.46838    -1.24490
  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
  16   2   1   1  17  12   4   3  12   5   1   1   6   9   4  10
   5   7   3   8   4   4   7   2   1   1   6   3   6   4   7   3
   4   3   9   2   1   8   7   1   5   3   4   5   3   2   1   1
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    56    57    58    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    56    57    58    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    56    57    58    42    43    44    38    39    40    45  
   39    40    45    50    51    55    41    42    54    56    57    58  
   40    45    50    56  
   45    50    56  
   46    47    52    53    48    49    54    56    59    42    43    44  
   43    44    46    48    56  
   44  
    0  
   50    51    55    61    72    56  
   47    52    53    48    49    54    59    60    63  
   52    53    48    59  
   49    54    56    57    58    59    60    63    52    53  
   54    56    59    52    53  
   51    55    61    62    65    68    72  
   55    61    72  
   53    54    56    59    60    63    64    67  
   54    59    60    63  
   56    57    58    59  
   61    62    65    66    68    69    72  
   57    58  
   58  
    0  
   60    63    64    67    70    71  
   63    64    67  
   62    65    66    68    69    72  
   65    66    68    72  
   64    67    70    73    82    71    75  
   67    70    71  
   66    68    69    72  
   68    69    72  
   70    73    74    76    81    82    71    75    77  
   69    72  
   72  
   73    74    76    81    82    83    71    75  
   75    77    78    79    80    73    82  
    0  
   74    76    81    82    83  
   76    81    82  
   77    78    79    80  
   81    82    83    84    85  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.167500   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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.597400   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   67   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   71   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   72   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   73   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   75   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   77   3.5000   0.0660   0.042500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   82   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   83   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   84   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   85   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    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   317.000  1.510
   33    56   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    59   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    56   222.000  1.810
   56    57   340.000  1.090
   56    58   340.000  1.090
   59    60   434.000  1.010
   59    63   490.000  1.335
   63    64   570.000  1.229
   63    67   270.000  1.486
   67    70   305.000  1.466
   67    71   500.000  1.261
   70    73   520.000  1.370
   70    82   410.000  1.394
   73    74   367.000  1.080
   73    76   265.000  1.745
   76    81   250.000  1.765
   81    82   488.000  1.335
   81    83   420.000  1.385
   83    84   434.000  1.010
   83    85   434.000  1.010
   71    75   320.000  1.394
   75    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   222.000  1.810
   45    50   210.000  1.799
   50    51   570.000  1.229
   50    55   335.000  1.450
   55    61   546.000  1.367
   55    72   340.000  1.360
   61    62   367.000  1.080
   61    65   469.000  1.424
   65    66   367.000  1.080
   65    68   546.000  1.367
   68    69   367.000  1.080
   68    72   340.000  1.360
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  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    56    54    75.00000  111.63000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.63000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    59    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    59    60    38.00000  118.40000
   52    59    63    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    56    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   56    33    37    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    52    53    50.00000  112.01000
   59    52    48    80.00000  110.05700
   59    63    64    80.00000  122.90000
   59    63    67    75.00000  109.57000
   63    59    60    35.00000  119.80000
   63    67    70    75.00000  114.44000
   63    67    71    65.00000  123.79500
   67    63    64    80.00000  120.45000
   67    70    73    60.00000  121.09900
   67    70    82    60.00000  126.00000
   67    71    75   100.00000  109.52600
   70    73    74    35.00000  130.70000
   70    73    76    80.00000  111.29200
   70    82    81    70.00000  110.00000
   73    76    81   120.00000   89.04400
   76    73    74    40.00000  122.38200
   76    81    82    80.00000  114.57700
   76    81    83    70.00000  122.29500
   81    83    84    35.00000  113.50000
   81    83    85    35.00000  113.50000
   82    70    73    70.00000  111.00000
   83    81    82    75.00000  125.31200
   85    83    84    35.00000  109.00000
   71    67    70    65.00000  124.33800
   71    75    77   110.00000  106.71400
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    56    58.35000  112.70000
   38    45    50    90.00000   96.72000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    80.00000  121.30200
   45    50    55    80.00000  111.80000
   50    55    61    55.00000  130.80000
   50    55    72    80.00000  119.06000
   55    50    51    80.00000  122.40000
   55    61    62    35.00000  125.70000
   55    61    65    70.00000  107.30000
   55    72    68    70.00000  106.50000
   61    65    66    35.00000  127.50000
   61    65    68    70.00000  107.30000
   65    61    62    35.00000  127.50000
   65    68    69    35.00000  132.10000
   65    68    72    70.00000  110.60000
   68    65    66    35.00000  125.70000
   72    55    61    70.00000  110.60000
   72    68    69    35.00000  113.40000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    56    54   0.56750  1.0 1.0
   29    33    56    54  -0.07550 -1.0 2.0
   29    33    56    54   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  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    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.00000  1.0 1.0
   37    33    56    54   0.56750  1.0 1.0
   37    33    56    54  -0.07550 -1.0 2.0
   37    33    56    54   0.20000  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    59   0.00000  1.0 1.0
   41    48    54    56   0.01700  1.0 1.0
   41    48    54    56  -0.23550 -1.0 2.0
   41    48    54    56   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    59    60   0.00000  1.0 1.0
   46    52    59    63  -0.42300  1.0 1.0
   46    52    59    63  -0.07000 -1.0 2.0
   46    52    59    63   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    59   0.30150 -1.0 2.0
   52    48    54    56   0.25150  1.0 1.0
   52    48    54    56  -1.17200 -1.0 2.0
   52    48    54    56   0.53050  1.0 3.0
   52    59    63    64   3.04450 -1.0 2.0
   52    59    63    67   1.49850  1.0 1.0
   52    59    63    67   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    63   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    59    60   0.00000  1.0 1.0
   48    52    59    63  -0.43950  1.0 1.0
   48    52    59    63  -0.08100 -1.0 2.0
   48    52    59    63   0.03350  1.0 3.0
   48    54   -56    33  -0.25000 -1.0 2.0
   48    54   -56    33  -0.01800  1.0 3.0
   48    54    56    57   0.32350  1.0 3.0
   48    54    56    58   0.32350  1.0 3.0
   49    48    54    56   0.00000  1.0 1.0
   56    33   -37    41  -0.93550  1.0 1.0
   56    33   -37    41   0.38900 -1.0 2.0
   56    33   -37    41   0.16950  1.0 3.0
   56    33    37    42   0.09850  1.0 1.0
   56    33    37    42   0.15250 -1.0 2.0
   56    33    37    42  -0.50650  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33    38    45   0.44750  1.0 1.0
   56    33    38    45  -0.17800 -1.0 2.0
   56    33    38    45   0.20200  1.0 3.0
   59    52   -48    41   2.20050  1.0 1.0
   59    52   -48    41   0.63450 -1.0 2.0
   59    52   -48    41  -0.91300  1.0 3.0
   59    52    48    49   0.15000  1.0 3.0
   59    52    48    54   0.00000  1.0 1.0
   59    63    67    70   1.50000 -1.0 2.0
   59    63    67    71   1.50000 -1.0 2.0
   60    59    63    64   2.45000 -1.0 2.0
   60    59    63    67   2.56700 -1.0 2.0
   63    67    70    73   0.30050 -1.0 2.0
   63    67    70    73   0.16600  1.0 3.0
   63    67    70    82   0.30050 -1.0 2.0
   63    67    70    82   0.16600  1.0 3.0
   63    67    71    75   6.00000 -1.0 2.0
   64    63    67    70   1.00000 -1.0 2.0
   64    63    67    71   1.00000 -1.0 2.0
   67    70    73    74   3.62500 -1.0 2.0
   67    70    73    76   3.62500 -1.0 2.0
   67    70    82    81   3.62500 -1.0 2.0
   67    71    75    77   1.50000 -1.0 2.0
   70    67    71    75   6.00000 -1.0 2.0
   70    73   -76    81   3.62500 -1.0 2.0
   73    70   -82    81   2.40000 -1.0 2.0
   73    76   -81    82   3.62500 -1.0 2.0
   73    76    81    83   3.62500 -1.0 2.0
   74    73    76    81   3.62500 -1.0 2.0
   76    81   -82    70   3.62500 -1.0 2.0
   76    81    83    84   0.47600 -1.0 2.0
   76    81    83    85   0.47600 -1.0 2.0
   82    70    73    74   3.62500 -1.0 2.0
   82    70   -73    76   3.62500 -1.0 2.0
   82    81    83    84   1.75000 -1.0 2.0
   82    81    83    85   1.75000 -1.0 2.0
   83    81    82    70   3.62500 -1.0 2.0
   71    67    70    73   1.02250 -1.0 2.0
   71    67    70    82   1.02250 -1.0 2.0
   71    75    77    78   0.37500  1.0 3.0
   71    75    77    79   0.37500  1.0 3.0
   71    75    77    80   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    56    54   0.44750  1.0 1.0
   38    33    56    54  -0.17800 -1.0 2.0
   38    33    56    54   0.20200  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    58   0.15000  1.0 3.0
   38    45    50    51  -0.11550  1.0 1.0
   38    45    50    51   1.88700 -1.0 2.0
   38    45    50    55  -0.11550  1.0 1.0
   38    45    50    55   1.88700 -1.0 2.0
   39    38    45    50   0.24000  1.0 3.0
   40    38    45    50   0.24000  1.0 3.0
   45    50    55    61   0.56600 -1.0 2.0
   45    50    55    72   0.56600 -1.0 2.0
   50    55    61    62   3.62500 -1.0 2.0
   50    55    61    65   3.62500 -1.0 2.0
   50    55    72    68   3.62500 -1.0 2.0
   51    50    55    61   1.05000 -1.0 2.0
   51    50    55    72   1.05000 -1.0 2.0
   55    61    65    66   3.62500 -1.0 2.0
   55    61   -65    68   3.62500 -1.0 2.0
   61    55   -72    68   3.62500 -1.0 2.0
   61    65    68    69   3.62500 -1.0 2.0
   61    65   -68    72   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    68   3.62500 -1.0 2.0
   65    68   -72    55   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    72   3.62500 -1.0 2.0
   69    68    72    55   3.62500 -1.0 2.0
   72    55    61    62   3.62500 -1.0 2.0
   72    55   -61    65   3.62500 -1.0 2.0
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
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   60    63    59    52   1.00000 -1.0 2.0
   59    67    63    64  10.50000 -1.0 2.0
   63    70    67    71  10.50000 -1.0 2.0
   73    82    70    67   4.00000 -1.0 2.0
   76    74    73    70   1.10000 -1.0 2.0
   82    83    81    76   4.00000 -1.0 2.0
   85    81    83    84   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
   61    72    55    50   4.00000 -1.0 2.0
   65    62    61    55   1.10000 -1.0 2.0
   68    66    65    61   1.10000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
END
