* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    239     459
    1     0 S   NP   _N1_     1    29.60498    99.16547   -19.18971
    2     1 S   H    _HN1     2     1.02948    56.91824    -4.49318
    3     1 S   H    _H1_     3     1.02829    57.41415   141.72211
    4     1 S   H    _H2_     4     1.02788    97.35358  -111.71561
    5     1 S   CT   _CA1     5     1.50102   150.44021    67.76449
    6     5 S   HC   _HA1     6     1.09572   105.19840   119.37843
    7     5 S   CO3  _C1_     7     1.53759   112.50748    -0.99130
    8     7 S   O2Z  _O11     8     1.26388   115.01533   -38.89467
    9     7 S   O2Z  _O12     9     1.26161   115.01299   140.29229
   10     5 S   CT   _CB1    10     1.53099   107.46675  -122.28677
   11    10 S   HC   HB11    11     1.09835   109.64627   -45.98038
   12    10 S   HC   HB12    12     1.09803   110.41546    70.78202
   13    10 S   CT   _CG1    13     1.52968   112.45668  -166.70083
   14    13 S   HC   HG11    14     1.09524   110.85906   -65.25214
   15    13 S   HC   HG12    15     1.09583   109.37095    53.81092
   16    13 S   C    _CD1    16     1.51887   111.95976   174.52174
   17    16 S   O    _OE1    17     1.22741   123.08857    18.98623
   18    16 S   N    _N2_    18     1.38550   111.85490  -161.79993
   19    18 S   H    _HN2    19     1.01654   118.89984     3.73371
   20    18 S   CT1  _CA2    20     1.46089   123.73284   176.61887
   21    20 S   HC   _HA2    21     1.09692   109.31345     1.75346
   22    20 S   C    _C2_    22     1.53870   108.80531  -113.87393
   23    22 S   O    _O2_    23     1.23087   121.93534  -159.56698
   24    20 S   CT   _CB2    32     1.53660   111.93853   124.26381
   25    24 S   HC   HB21    33     1.09279   110.26414    59.52354
   26    24 S   HC   HB22    34     1.09575   109.69924   176.25744
   27    22 S   N    _N3_    24     1.38212   114.13049    26.52801
   28    27 S   H    _HN3    25     1.01550   119.29991    -2.22757
   29    24 S   S    _SG2    35     1.83413   112.58538   -66.06466
   30    27 S   CT   _CA3    26     1.45230   123.74206   179.53019
   31    30 S   HC   HA31    27     1.09524   107.38191   -71.76412
   32    30 S   HC   HA32    28     1.09549   108.26496    44.88261
   33    29 S   CT   _C24    36     1.86925   102.97344   118.08727
   34    30 S   CO3  _C3_    29     1.53062   113.78849   167.03266
   35    34 S   O2Z  _O31    30     1.26420   116.10068     2.58831
   36    34 S   O2Z  _O32    31     1.26421   114.44314  -177.40920
   37    33 S   CT   _C21    37     1.53431   109.19226    62.83944
   38    37 S   HC   _H45    38     1.09417   112.40310   -71.10703
   39    37 S   HC   _H46    39     1.09654   111.57624    50.38221
   40    37 S   HC   _H47    40     1.09494   111.37662   169.13333
   41    33 S   CT   _C22    41     1.53846   105.38870  -179.65850
   42    41 S   HC   _H48    42     1.09664   111.74549    62.63590
   43    41 S   HC   _H49    43     1.09680   111.72980   -58.54879
   44    41 S   HC   _H50    44     1.09552   111.33250  -177.64798
   45    33 S   CT   _C23    45     1.53738   108.41554   -61.11500
   46    45 S   HC   _H51    46     1.09828   108.68005   -53.28533
   47    45 S   HC   _H52    47     1.09454   110.65921    65.62432
   48    45 S   CO4  _C14    48     1.51431   117.50118  -174.26181
   49    48 S   O    _O24    49     1.22046   126.54831   -22.63230
   50    48 S   OS   _O27    50     1.36530   107.37429   161.24512
   51    50 S   CT   _C15    51     1.43921   118.16918   168.81945
   52    51 S   HC   _H34    52     1.09760   109.49273   -33.98887
   53    51 S   CA   _C7_    53     1.51112   109.66795  -150.99561
   54    53 S   CA   _C8_    54     1.40009   120.03786  -141.43108
   55    54 S   CA   _C5_    55     1.40053   120.48332   179.09496
   56    55 S   HA   _H31    56     1.08744   120.01525  -178.98780
   57    54 S   OS   _O26    68     1.36983   124.43745     0.15195
   58    55 S   CA   _C4_    57     1.39608   120.69138     0.89875
   59    58 S   HA   _H30    58     1.08697   119.16458  -179.63096
   60    57 S   CT   _C17    69     1.44029   117.85378    -9.08601
   61    58 S   CA   _C6_    59     1.39353   119.88272     0.45111
   62    51 S   CT   _C16    70     1.53403   109.70776    87.40847
   63    62 S   HC   _H35    71     1.09690   109.87205   -70.73685
   64    60 S   CT   _C19    79     1.53806   108.44428   -87.13600
   65    64 S   HC   _H39    80     1.09645   110.64943   -58.49029
   66    64 S   HC   _H40    81     1.09490   111.38851  -179.07296
   67    64 S   HC   _H41    82     1.09456   112.12837    59.18899
   68    60 S   CT   _C20    83     1.53854   105.53035   157.22572
   69    68 S   HC   _H42    84     1.09648   110.82294    60.34188
   70    68 S   HC   _H43    85     1.09576   111.43944   -57.19883
   71    68 S   HC   _H44    86     1.09493   111.54569  -178.82730
   72    53 S   CA   _C9_    60     1.40734   122.36103    40.12244
   73    62 S   OS   _O28    72     1.45411   108.76811    48.99054
   74    72 S   OS   _O25    61     1.41593   118.53199     0.90157
   75    73 S   CO4  _C13    73     1.36124   118.40206  -101.25760
   76    75 S   O    _O23    74     1.22344   126.51345    -1.10889
   77    74 S   CO4  _C12    62     1.38860   122.86618  -176.03138
   78    77 S   O    _O22    63     1.22568   121.90366   176.36084
   79    75 S   CT   _C18    75     1.49797   109.76521   176.88178
   80    79 S   HC   _H36    76     1.09195   109.45817   -82.81716
   81    79 S   HC   _H37    77     1.09361   109.26313   157.17628
   82    79 S   HC   _H38    78     1.09352   110.35425    38.84885
   83    77 S   CM   _C11    64     1.47181   116.45164    -3.42668
   84    83 S   HC   _H33    65     1.08452   117.21578  -178.98259
   85    61 S   CM   _C10    66     1.45497   121.81413  -179.63203
   86    85 S   HC   _H32    67     1.08461   118.91929    -0.27411
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2   9  15   7  14  12   8   4  14   7   3  12   7  14   4   8
   3   2   1   4   2   1   1   6   6   5   5   4   5   3   3   2
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    62  
   50    51  
   51    52    53    54    72    60    62    63    73  
   52    53    54    55    61    72    74    57    60    62    63    73    75    64    68  
   53    54    72    60    62    63    73  
   54    55    56    58    61    72    74    77    85    57    60    62    63    73  
   55    56    58    59    61    72    74    57    60    62    64    68  
   56    58    59    61    72    85    57    60  
   58    59    61    57  
   60    62    63    73    64    65    66    67    68    69    70    71    58    72  
   59    61    72    74    83    85    86  
   61    72    85  
   62    63    73    75    64    65    66    67    68    69    70    71  
   72    74    77    83    84    85    86  
   63    73    75    76    79    64    65    66    67    68    69    70    71    72  
   73    75    64    68  
   65    66    67    68    69    70    71    73  
   66    67    68  
   67    68  
   68  
   69    70    71    73  
   70    71  
   71  
    0  
   74    77    78    83    85    86  
   75    76    79    80    81    82  
   77    78    83    84    85  
   76    79    80    81    82  
   79    80    81    82  
   78    83    84    85    86  
   83    84    85  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   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    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    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    62   268.000  1.529
   53    54   469.000  1.400
   53    72   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    72   469.000  1.400
   61    85   320.000  1.460
   72    74   450.000  1.364
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    83   320.000  1.462
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   57    60   320.000  1.410
   60    62   268.000  1.529
   60    64   268.000  1.529
   60    68   268.000  1.529
   62    63   340.000  1.090
   62    73   320.000  1.410
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    62    50.00000  109.50000
   51    53    54    70.00000  120.00000
   51    53    72    70.00000  120.00000
   51    62    60    58.35000  112.70000
   51    62    63    37.50000  110.70000
   51    62    73    50.00000  109.50000
   53    51    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    57    70.00000  120.00000
   53    72    61    63.00000  120.00000
   53    72    74    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    35.00000  120.00000
   55    58    61    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    72    63.00000  120.00000
   58    61    85    60.00000  120.93500
   61    58    59    35.00000  120.00000
   61    72    74    70.00000  120.00000
   61    85    83    60.00000  123.20500
   61    85    86    40.00000  117.26300
   72    53    54    63.00000  120.00000
   72    74    77    85.00000  115.98000
   74    77    78    83.00000  123.40000
   74    77    83    90.00000  111.29400
   77    83    84    40.00000  117.72500
   77    83    85    65.00000  118.96000
   83    77    78    80.00000  123.72100
   83    85    86    35.00000  120.00000
   85    61    72    60.00000  120.93500
   85    83    84    35.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    62    50.00000  109.50000
   57    60    64    50.00000  109.50000
   57    60    68    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    73    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   62    51    52    37.50000  110.70000
   62    51    53    70.00000  112.17500
   62    73    75    83.00000  116.90000
   73    62    63    35.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    79    81.00000  111.40000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   79    75    76    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   64    60    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    60    62    58.35000  112.70000
   68    60    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    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
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52   0.08050  1.0 3.0
   48    50    51    53  -0.43900 -1.0 2.0
   48    50    51    53   0.14100  1.0 3.0
   48    50    51    62  -0.25900  1.0 1.0
   48    50    51    62  -0.47000 -1.0 2.0
   48    50    51    62   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.64500  1.0 1.0
   50    51    53    54   0.14800 -1.0 2.0
   50    51    53    54   0.20650  1.0 3.0
   50    51    53    72   0.64500  1.0 1.0
   50    51    53    72   0.14800 -1.0 2.0
   50    51    53    72   0.20650  1.0 3.0
   50    51    62    60   0.62750  1.0 1.0
   50    51    62    60  -0.30950 -1.0 2.0
   50    51    62    60   0.27300  1.0 3.0
   50    51    62    63   0.23400  1.0 3.0
   50    51    62    73   1.11900  1.0 1.0
   50    51    62    73  -1.16350 -1.0 2.0
   50    51    62    73  -0.34150  1.0 3.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    72    61   3.62500 -1.0 2.0
   51    53    72    74   3.62500 -1.0 2.0
   51    62    73    75  -0.25900  1.0 1.0
   51    62    73    75  -0.47000 -1.0 2.0
   51    62    73    75   0.11750  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    72   0.00000  1.0 1.0
   52    51    62    60   0.15000  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    73   0.23400  1.0 3.0
   53    51    62    60  -0.03700  1.0 1.0
   53    51    62    60   0.37200 -1.0 2.0
   53    51    62    60  -0.47300  1.0 3.0
   53    51    62    63   0.43200  1.0 3.0
   53    51    62    73  -0.64350  1.0 1.0
   53    51    62    73  -0.04200 -1.0 2.0
   53    51    62    73   0.19800  1.0 3.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54   -57    60   1.63200 -1.0 2.0
   53    72    74    77   0.01300  1.0 1.0
   53    72    74    77   0.97950 -1.0 2.0
   53    72    74    77  -0.55700  1.0 3.0
   54    53    72    61   3.62500 -1.0 2.0
   54    53    72    74   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    55   -58    61   3.62500 -1.0 2.0
   54    57    60    62  -0.32850  1.0 1.0
   54    57    60    62  -0.35800 -1.0 2.0
   54    57    60    62   0.33950  1.0 3.0
   54    57    60    64  -0.32850  1.0 1.0
   54    57    60    64  -0.35800 -1.0 2.0
   54    57    60    64   0.33950  1.0 3.0
   54    57    60    68  -0.32850  1.0 1.0
   54    57    60    68  -0.35800 -1.0 2.0
   54    57    60    68   0.33950  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   55    58    61    72   3.62500 -1.0 2.0
   55    58    61    85   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   58    61   -72    53   3.62500 -1.0 2.0
   58    61    72    74   3.62500 -1.0 2.0
   58    61    85    83   0.15800  1.0 1.0
   58    61    85    83   1.85350 -1.0 2.0
   58    61    85    83  -0.48700  1.0 3.0
   58    61    85    86   0.56550  1.0 3.0
   59    58    61    72   3.62500 -1.0 2.0
   59    58    61    85   3.62500 -1.0 2.0
   61    72    74    77   0.01300  1.0 1.0
   61    72    74    77   0.97950 -1.0 2.0
   61    72    74    77  -0.55700  1.0 3.0
   72    53   -54    55   3.62500 -1.0 2.0
   72    53    54    57   3.62500 -1.0 2.0
   72    61    85    83   0.15800  1.0 1.0
   72    61    85    83   1.85350 -1.0 2.0
   72    61    85    83  -0.48700  1.0 3.0
   72    61    85    86   0.56550  1.0 3.0
   72    74    77    78   3.00000 -1.0 2.0
   72    74   -77    83   2.00000 -1.0 2.0
   74    77    83    84   1.63100 -1.0 2.0
   74    77    83    85  -0.56150  1.0 1.0
   74    77    83    85   2.19150 -1.0 2.0
   77    83   -85    61   7.00000 -1.0 2.0
   77    83    85    86   7.00000 -1.0 2.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   1.00000 -1.0 2.0
   84    83    85    61   7.00000 -1.0 2.0
   84    83    85    86   7.00000 -1.0 2.0
   85    61    72    53   3.62500 -1.0 2.0
   85    61   -72    74   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60   -62    51   0.62750  1.0 1.0
   57    60   -62    51  -0.30950 -1.0 2.0
   57    60   -62    51   0.27300  1.0 3.0
   57    60    62    63   0.23400  1.0 3.0
   57    60    62    73   1.11900  1.0 1.0
   57    60    62    73  -1.16350 -1.0 2.0
   57    60    62    73  -0.34150  1.0 3.0
   57    60    64    65   0.23400  1.0 3.0
   57    60    64    66   0.23400  1.0 3.0
   57    60    64    67   0.23400  1.0 3.0
   57    60    68    69   0.23400  1.0 3.0
   57    60    68    70   0.23400  1.0 3.0
   57    60    68    71   0.23400  1.0 3.0
   60    62    73    75  -0.25900  1.0 1.0
   60    62    73    75  -0.47000 -1.0 2.0
   60    62    73    75   0.11750  1.0 3.0
   62    51   -53    54   0.04150 -1.0 2.0
   62    51    53    72   0.04150 -1.0 2.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   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    71   0.15000  1.0 3.0
   62    73    75    76   3.00000 -1.0 2.0
   62    73    75    79   1.63150  1.0 1.0
   62    73    75    79   2.92000 -1.0 2.0
   63    62    73    75   0.08050  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    82   0.00000  1.0 1.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   64    60    62    51   0.56750  1.0 1.0
   64    60    62    51  -0.07550 -1.0 2.0
   64    60    62    51   0.20000  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    73   0.62750  1.0 1.0
   64    60    62    73  -0.30950 -1.0 2.0
   64    60    62    73   0.27300  1.0 3.0
   64    60    68    69   0.15000  1.0 3.0
   64    60    68    70   0.15000  1.0 3.0
   64    60    68    71   0.15000  1.0 3.0
   68    60    62    51   0.56750  1.0 1.0
   68    60    62    51  -0.07550 -1.0 2.0
   68    60    62    51   0.20000  1.0 3.0
   68    60    62    63   0.15000  1.0 3.0
   68    60    62    73   0.62750  1.0 1.0
   68    60    62    73  -0.30950 -1.0 2.0
   68    60    62    73   0.27300  1.0 3.0
   68    60    64    65   0.15000  1.0 3.0
   68    60    64    66   0.15000  1.0 3.0
   68    60    64    67   0.15000  1.0 3.0
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
   45    50    48    49  10.50000 -1.0 2.0
   54    72    53    51   4.00000 -1.0 2.0
   55    57    54    53   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   61    59    58    55   1.10000 -1.0 2.0
   72    85    61    58   4.00000 -1.0 2.0
   61    74    72    53   4.00000 -1.0 2.0
   74    83    77    78  10.50000 -1.0 2.0
   77    84    83    85   1.10000 -1.0 2.0
   61    86    85    83   1.10000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
END
