* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    152    246     457
    1     0 S   NP   _N1_     1    28.76059    96.65715   -24.05390
    2     1 S   H    _HN1     2     1.02788   107.95888   -89.56457
    3     1 S   H    _H1_     3     1.02948    68.50001    13.64833
    4     1 S   H    _H2_     4     1.02826    40.80322   173.60325
    5     1 S   CT   _CA1     5     1.50121   137.34166   110.83812
    6     5 S   HC   _HA1     6     1.09573   105.17877    97.66293
    7     5 S   CO3  _C1_     7     1.53782   112.48768   -22.55876
    8     7 S   O2Z  _O11     8     1.26375   115.00359   -41.81522
    9     7 S   O2Z  _O12     9     1.26240   114.94664   137.28351
   10     5 S   CT   _CB1    10     1.53071   107.41009  -144.34500
   11    10 S   HC   HB11    11     1.09836   109.35436   -49.45282
   12    10 S   HC   HB12    12     1.09812   110.45325    67.15207
   13    10 S   CT   _CG1    13     1.52998   112.62600  -170.41064
   14    13 S   HC   HG11    14     1.09577   110.67447   -66.42190
   15    13 S   HC   HG12    15     1.09671   109.74722    52.81939
   16    13 S   C    _CD1    16     1.51804   112.14700   173.28744
   17    16 S   O    _OE1    17     1.22739   123.23951     9.11171
   18    16 S   N    _N2_    18     1.38625   111.70461  -170.90694
   19    18 S   H    _HN2    19     1.01580   119.00174     1.41181
   20    18 S   CT1  _CA2    20     1.46287   123.48310   177.47021
   21    20 S   HC   _HA2    21     1.09740   109.27903     6.27229
   22    20 S   C    _C2_    22     1.53656   108.91614  -109.20182
   23    22 S   O    _O2_    23     1.23057   122.29739  -150.30226
   24    20 S   CT   _CB2    32     1.53417   111.33326   128.17933
   25    24 S   HC   HB21    33     1.09459   109.53992    56.27181
   26    24 S   HC   HB22    34     1.09450   110.03296   175.22242
   27    22 S   N    _N3_    24     1.38349   113.86058    37.31119
   28    27 S   H    _HN3    25     1.01543   119.58543    -3.38391
   29    24 S   S    _SG2    35     1.83239   110.91034   -65.13019
   30    27 S   CT   _CA3    26     1.45274   123.24333   177.12172
   31    30 S   HC   HA31    27     1.09549   107.52135   -64.52788
   32    30 S   HC   HA32    28     1.09557   107.98589    51.92505
   33    29 S   CT   _C13    36     1.87858   101.15745   169.31290
   34    30 S   CO3  _C3_    29     1.52968   114.05366   173.92027
   35    34 S   O2Z  _O31    30     1.26381   116.07488    -0.42382
   36    34 S   O2Z  _O32    31     1.26427   114.41549   179.63523
   37    33 S   CM   _C18    37     1.51441   109.83001    56.83592
   38    33 S   CO4  _C12    69     1.54679   107.72598   174.69382
   39    38 S   O    _O33    70     1.23185   123.37320   -21.82955
   40    37 S   CMA  _C17    38     1.36504   124.58937  -119.39121
   41    40 S   OM   _O41    39     1.27036   127.25128   171.32239
   42    37 S   OS1  _O35    46     1.39525   112.54365    54.94537
   43    38 S   CM   _C11    71     1.49917   116.89500   161.02569
   44    43 S   HC   _H13    72     1.08358   117.28620    15.89673
   45    40 S   CMA  _C16    40     1.53023   118.60766    -6.33945
   46    45 S   OM   _O42    41     1.26920   115.72012  -170.95052
   47    42 S   CO1  _C19    47     1.44042   116.02565   122.42598
   48    47 S   HC   _H3_    48     1.09515   109.56535    68.25057
   49    43 S   CM   _C10    73     1.34046   120.20866  -165.25761
   50    49 S   HC   _H12    74     1.08755   120.13981    -0.16786
   51    45 S   CM   _C15    42     1.34757   119.42224     8.51332
   52    51 S   HC   _H14    43     1.08734   120.59327   179.21167
   53    47 S   CT   _C20    49     1.53610   106.53879  -174.10223
   54    53 S   HC   _H4_    50     1.09689   109.96954    54.50308
   55    49 S   CA   _C9_    75     1.47243   124.32709  -178.29154
   56    33 S   CO4  _C14    44     1.52209   105.60348   -66.64688
   57    56 S   O    _O34    45     1.23237   122.69309   -55.73015
   58    53 S   CT   _C21    51     1.53062   111.14279   176.41002
   59    58 S   HC   _H5_    52     1.09669   110.19770    73.66416
   60    53 S   OH5  _O40    67     1.42980   110.32730   -62.44773
   61    60 S   HO   _H20    68     0.97264   108.09188   -51.60043
   62    55 S   CA   _C4_    76     1.40321   122.89385   -28.75172
   63    62 S   HA   _H8_    77     1.08733   121.13269     0.24629
   64    58 S   CT   _C22    53     1.53152   111.43374   -49.11729
   65    64 S   HC   _H6_    54     1.09710   109.02066   -71.78018
   66    58 S   OH5  _O39    65     1.43010   109.65714  -170.47296
   67    66 S   HO   _H19    66     0.97240   108.05205    59.54712
   68    62 S   CA   _C5_    78     1.39708   120.64376  -179.43837
   69    68 S   HA   _H9_    79     1.08639   119.76572  -179.70658
   70    64 S   CT   _C23    55     1.53204   110.79733    49.47877
   71    70 S   HC   _H7_    56     1.09825   111.03136    64.57389
   72    64 S   OH5  _O38    63     1.42640   109.63919   171.44737
   73    72 S   HO   _H18    64     0.97264   108.07220   -58.84238
   74    68 S   CA   _C6_    80     1.39065   119.73465     0.51434
   75    47 S   OS1  _O36    57     1.43034   112.44218   -54.36823
   76    70 S   CT   _C24    58     1.53013   111.35288  -174.67148
   77    76 S   HC   _H15    59     1.09475   110.91184    69.39631
   78    76 S   HC   _H16    60     1.09391   111.58081   -52.78675
   79    74 S   CA   _C7_    81     1.39134   120.64523     0.21940
   80    79 S   HA   _H10    82     1.08604   121.02039   179.70392
   81    74 S   OH   _O43    85     1.36584   118.23507  -179.98022
   82    81 S   HO   _H21    86     0.97241   108.60607  -179.73386
   83    76 S   OH5  _O37    61     1.42432   109.16700  -171.70052
   84    83 S   HO   _H17    62     0.97231   107.14677  -174.95601
   85    55 S   CA   _C8_    83     1.40410   118.46717   153.02526
   86    85 S   HA   _H11    84     1.08822   120.51889    -1.03929
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   2   1   1  15  11   4   8   4  10   7   3   5   3  13   6
   8   3   3   2  12   7   9   1   1  13   7   4   1   8   4  12
   7   3   1   7   3   9   6   3   1   6   4   4   3   2   5   3
   2   1   1   1   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    40    51    56    57    42    38    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    45    51    52    56    57    42    47    38    39    43    44    49  
   35    36  
   36  
    0  
   40    41    45    46    51    56    57    42    47    48    53    75    38    39    43  
   39    43    44    49    50    55    40    42    51    56    57  
   43    44    49    56  
   41    45    46    51    52    56    42    47  
   45    46    51    42  
   47    48    53    54    58    70    75    60    45    56  
   44    49    50    55    62    85    56  
   49    50    55  
   46    51    52    56    57  
   51    52    56  
   48    53    54    58    59    64    70    71    75    76    66    60    61  
   53    54    58    70    75    60  
   50    55    62    63    68    79    85    86  
   55    62    85  
   52    56    57  
   56    57  
   54    58    59    64    65    70    75    72    66    67    60    61  
   58    59    64    75    66    60    61  
   62    63    68    69    74    79    80    85    86  
   57  
    0  
   59    64    65    70    71    75    76    72    73    66    67    60    61  
   64    65    70    72    66    67    60  
   61    64    66    75  
    0  
   63    68    69    74    79    85    86    81  
   68    69    74    85  
   65    70    71    75    76    77    78    83    72    73    66    67  
   70    71    75    76    72    73    66  
   67    70    72  
    0  
   69    74    79    80    85    81    82  
   74    79    81  
   71    75    76    77    78    83    84    72    73  
   75    76    77    78    83    72  
   73    75    76  
    0  
   79    80    85    86    81    82  
   76    77    78    83  
   77    78    83    84  
   78    83    84  
   83    84  
   80    85    86    81    82  
   85    86    81  
   82    85  
    0  
   84  
    0  
   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   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.510
   33    56   317.000  1.522
   33    38   317.000  1.522
   37    40   465.000  1.376
   37    42   440.000  1.360
   40    41   745.000  1.250
   40    45   465.000  1.376
   45    46   745.000  1.250
   45    51   465.000  1.376
   51    52   340.000  1.080
   51    56   320.000  1.462
   56    57   570.000  1.229
   42    47   370.000  1.399
   47    48   360.000  1.097
   47    53   255.000  1.525
   47    75   370.000  1.399
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    60   355.000  1.421
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    66   355.000  1.421
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    72   355.000  1.421
   70    71   340.000  1.090
   70    75   335.000  1.422
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   355.000  1.421
   83    84   580.000  0.967
   72    73   580.000  0.967
   66    67   580.000  0.967
   60    61   580.000  0.967
   38    39   570.000  1.229
   38    43   320.000  1.462
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   340.000  1.080
   49    55   320.000  1.460
   55    62   469.000  1.400
   55    85   469.000  1.400
   62    63   367.000  1.080
   62    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    79   469.000  1.400
   74    81   450.000  1.364
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   81    82   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  124.00000
   33    37    42    85.00000  112.85300
   33    56    51    65.00000  118.62400
   33    56    57    80.00000  120.40000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  118.62400
   37    40    41    65.00000  137.10300
   37    40    45    70.00000  117.34000
   37    42    47    90.00000  111.18400
   40    45    46    65.00000  137.10300
   40    45    51    70.00000  117.34000
   45    40    41    65.00000  137.10300
   45    51    52    40.00000  120.50800
   45    51    56    60.00000  125.92000
   51    45    46    65.00000  137.10300
   51    56    57    80.00000  123.72100
   56    33    37    70.00000  109.06800
   56    51    52    40.00000  117.72500
   42    37    40    80.00000  120.01400
   42    47    48    60.00000  105.75400
   42    47    53    90.00000  109.70700
   42    47    75   110.00000  113.16000
   47    53    54    45.00000  109.54000
   47    53    58    70.00000  111.10000
   47    53    60    90.00000  109.42000
   47    75    70    90.00000  112.10700
   53    47    48    45.00000  111.65000
   53    58    59    37.50000  110.70000
   53    58    64    58.35000  112.70000
   53    58    66    90.00000  111.45300
   53    60    61    65.00000  108.53500
   58    53    54    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    70    58.35000  112.70000
   58    64    72    90.00000  111.45300
   58    66    67    65.00000  108.53500
   64    58    59    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    75    95.00000  107.88500
   64    70    76    58.35000  112.70000
   64    72    73    65.00000  108.53500
   70    64    65    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    83    90.00000  111.45300
   75    47    48    60.00000  105.75400
   75    47    53    90.00000  109.70700
   75    70    71    55.00000  108.98800
   76    70    71    37.50000  110.70000
   76    70    75    95.00000  107.88500
   76    83    84    65.00000  108.53500
   78    76    77    33.00000  107.80000
   83    76    77    60.00000  109.39000
   83    76    78    60.00000  109.39000
   72    64    65    60.00000  109.39000
   72    64    70    90.00000  111.45300
   66    58    59    60.00000  109.39000
   66    58    64    90.00000  111.45300
   60    53    54    60.00000  109.39000
   60    53    58    90.00000  111.45300
   38    33    37    70.00000  109.06800
   38    33    56    75.00000  107.99600
   38    43    44    40.00000  117.72500
   38    43    49    65.00000  118.96000
   43    38    39    80.00000  123.72100
   43    49    50    35.00000  120.00000
   43    49    55    60.00000  123.20500
   49    43    44    35.00000  120.00000
   49    55    62    60.00000  120.93500
   49    55    85    60.00000  120.93500
   55    49    50    40.00000  117.26300
   55    62    63    35.00000  120.00000
   55    62    68    63.00000  120.00000
   55    85    79    63.00000  120.00000
   55    85    86    35.00000  120.00000
   62    68    69    35.00000  120.00000
   62    68    74    63.00000  120.00000
   68    62    63    35.00000  120.00000
   68    74    79    63.00000  120.00000
   68    74    81    70.00000  120.00000
   74    68    69    35.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    85    63.00000  120.00000
   74    81    82    35.00000  113.00000
   79    85    86    35.00000  120.00000
   85    55    62    63.00000  120.00000
   85    79    80    35.00000  120.00000
   81    74    79    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    56    51   0.65300  1.0 1.0
   29    33    56    51  -0.03850 -1.0 2.0
   29    33    56    51   0.33900  1.0 3.0
   29    33    56    57   0.30150 -1.0 2.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    42    47   2.00000 -1.0 2.0
   33    38    43    44   0.04550  1.0 1.0
   33    38    43    44   0.83000 -1.0 2.0
   33    38    43    44  -0.04000  1.0 3.0
   33    38    43    49  -0.33500  1.0 1.0
   33    38    43    49   1.06600 -1.0 2.0
   33    38    43    49  -0.14000  1.0 3.0
   37    33    56    51   0.65300  1.0 1.0
   37    33    56    51  -0.03850 -1.0 2.0
   37    33    56    51   0.33900  1.0 3.0
   37    33    56    57   0.30150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    43   0.65300  1.0 1.0
   37    33    38    43  -0.03850 -1.0 2.0
   37    33    38    43   0.33900  1.0 3.0
   37    40    45    46   7.00000 -1.0 2.0
   37    40   -45    51   7.00000 -1.0 2.0
   37    42    47    48   0.08050  1.0 3.0
   37    42    47    53  -0.46850  1.0 1.0
   37    42    47    53   0.09300 -1.0 2.0
   37    42    47    53  -0.12850  1.0 3.0
   37    42    47    75  -0.48150  1.0 1.0
   37    42    47    75   0.09250 -1.0 2.0
   37    42    47    75  -0.12850  1.0 3.0
   40    37    42    47  -2.26850  1.0 1.0
   40    37    42    47   3.39050 -1.0 2.0
   40    45    51    52   7.00000 -1.0 2.0
   40    45    51    56   7.00000 -1.0 2.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    51   7.00000 -1.0 2.0
   45    51   -56    33  -0.33500  1.0 1.0
   45    51   -56    33   1.06600 -1.0 2.0
   45    51   -56    33  -0.14000  1.0 3.0
   45    51    56    57   1.00000 -1.0 2.0
   46    45    51    52   7.00000 -1.0 2.0
   46    45    51    56   7.00000 -1.0 2.0
   52    51    56    33   0.04550  1.0 1.0
   52    51    56    33   0.83000 -1.0 2.0
   52    51    56    33  -0.04000  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   56    33   -37    40  -0.51250  1.0 1.0
   56    33   -37    40  -0.88800 -1.0 2.0
   56    33   -37    40   0.08850  1.0 3.0
   56    33    37    42   0.09700  1.0 1.0
   56    33    37    42   0.15600 -1.0 2.0
   56    33    37    42  -0.50800  1.0 3.0
   56    33    38    39   0.30150 -1.0 2.0
   56    33    38    43   0.65300  1.0 1.0
   56    33    38    43  -0.03850 -1.0 2.0
   56    33    38    43   0.33900  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    45   7.00000 -1.0 2.0
   42    47    53    54   0.23400  1.0 3.0
   42    47    53    58   0.62750  1.0 1.0
   42    47    53    58  -0.30950 -1.0 2.0
   42    47    53    58   0.27300  1.0 3.0
   42    47    53    60   1.51850  1.0 1.0
   42    47    75    70  -0.70400  1.0 1.0
   42    47    75    70  -0.90350 -1.0 2.0
   47    53    58    59   0.15000  1.0 3.0
   47    53    58    64   0.56750  1.0 1.0
   47    53    58    64  -0.07550 -1.0 2.0
   47    53    58    64   0.20000  1.0 3.0
   47    53    58    66  -0.47750  1.0 1.0
   47    53    60    61   0.29150  1.0 1.0
   47    53    60    61  -0.28350 -1.0 2.0
   47    53    60    61   0.43600  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    58   0.15000  1.0 3.0
   48    47    53    60   0.23400  1.0 3.0
   48    47    75    70   0.37050  1.0 3.0
   53    47    75    70   0.06250  1.0 1.0
   53    47    75    70  -0.01100 -1.0 2.0
   53    47    75    70   0.28050  1.0 3.0
   53    58    64    65   0.15000  1.0 3.0
   53    58   -64    70   0.56750  1.0 1.0
   53    58   -64    70  -0.07550 -1.0 2.0
   53    58   -64    70   0.20000  1.0 3.0
   53    58    64    72  -0.47750  1.0 1.0
   53    58    66    67   0.29150  1.0 1.0
   53    58    66    67  -0.28350 -1.0 2.0
   53    58    66    67   0.43600  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    64   0.15000  1.0 3.0
   54    53    58    66   0.23400  1.0 3.0
   54    53    60    61   0.19450  1.0 3.0
   58    53    60    61   0.29150  1.0 1.0
   58    53    60    61  -0.28350 -1.0 2.0
   58    53    60    61   0.43600  1.0 3.0
   58    64    70    71   0.15000  1.0 3.0
   58    64    70    75   0.62750  1.0 1.0
   58    64    70    75  -0.30950 -1.0 2.0
   58    64    70    75   0.27300  1.0 3.0
   58    64    70    76   0.56750  1.0 1.0
   58    64    70    76  -0.07550 -1.0 2.0
   58    64    70    76   0.20000  1.0 3.0
   58    64    72    73   0.29150  1.0 1.0
   58    64    72    73  -0.28350 -1.0 2.0
   58    64    72    73   0.43600  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    70   0.15000  1.0 3.0
   59    58    64    72   0.23400  1.0 3.0
   59    58    66    67   0.19450  1.0 3.0
   64    58    66    67   0.29150  1.0 1.0
   64    58    66    67  -0.28350 -1.0 2.0
   64    58    66    67   0.43600  1.0 3.0
   64    70   -75    47   0.06250  1.0 1.0
   64    70   -75    47  -0.01100 -1.0 2.0
   64    70   -75    47   0.28050  1.0 3.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    83  -0.47750  1.0 1.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    75   0.23400  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   70    64    72    73   0.29150  1.0 1.0
   70    64    72    73  -0.28350 -1.0 2.0
   70    64    72    73   0.43600  1.0 3.0
   70    76    83    84   0.29150  1.0 1.0
   70    76    83    84  -0.28350 -1.0 2.0
   70    76    83    84   0.43600  1.0 3.0
   71    70    75    47   0.37050  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    83   0.23400  1.0 3.0
   75    47    53    54   0.23400  1.0 3.0
   75    47   -53    58   0.62750  1.0 1.0
   75    47   -53    58  -0.30950 -1.0 2.0
   75    47   -53    58   0.27300  1.0 3.0
   75    47    53    60   1.51850  1.0 1.0
   75    70    76    77   0.23400  1.0 3.0
   75    70    76    78   0.23400  1.0 3.0
   75    70    76    83   1.51850  1.0 1.0
   76    70    75    47   0.06250  1.0 1.0
   76    70    75    47  -0.01100 -1.0 2.0
   76    70    75    47   0.28050  1.0 3.0
   77    76    83    84   0.19450  1.0 3.0
   78    76    83    84   0.19450  1.0 3.0
   72    64    70    71   0.23400  1.0 3.0
   72    64    70    75   1.51850  1.0 1.0
   72    64    70    76  -0.47750  1.0 1.0
   66    58    64    65   0.23400  1.0 3.0
   66    58    64    70  -0.47750  1.0 1.0
   66    58    64    72   3.77950  1.0 1.0
   60    53    58    59   0.23400  1.0 3.0
   60    53    58    64  -0.47750  1.0 1.0
   60    53    58    66   3.77950  1.0 1.0
   38    33    37    40  -0.51250  1.0 1.0
   38    33    37    40  -0.88800 -1.0 2.0
   38    33    37    40   0.08850  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    56    51   0.65300  1.0 1.0
   38    33    56    51  -0.03850 -1.0 2.0
   38    33    56    51   0.33900  1.0 3.0
   38    33    56    57   0.30150 -1.0 2.0
   38    43    49    50   7.00000 -1.0 2.0
   38    43    49    55   7.00000 -1.0 2.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    49   1.00000 -1.0 2.0
   43    49    55    62   0.15800  1.0 1.0
   43    49    55    62   1.85350 -1.0 2.0
   43    49    55    62  -0.48700  1.0 3.0
   43    49    55    85   0.15800  1.0 1.0
   43    49    55    85   1.85350 -1.0 2.0
   43    49    55    85  -0.48700  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    55   7.00000 -1.0 2.0
   49    55    62    63   3.62500 -1.0 2.0
   49    55    62    68   3.62500 -1.0 2.0
   49    55    85    79   3.62500 -1.0 2.0
   49    55    85    86   3.62500 -1.0 2.0
   50    49    55    62   0.56550  1.0 3.0
   50    49    55    85   0.56550  1.0 3.0
   55    62    68    69   3.62500 -1.0 2.0
   55    62    68    74   3.62500 -1.0 2.0
   62    55    85    79   3.62500 -1.0 2.0
   62    55    85    86   3.62500 -1.0 2.0
   62    68   -74    79   3.62500 -1.0 2.0
   62    68    74    81   3.62500 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   63    62    68    74   3.62500 -1.0 2.0
   68    74    79    80   3.62500 -1.0 2.0
   68    74    79    85   3.62500 -1.0 2.0
   68    74    81    82   0.84100 -1.0 2.0
   69    68    74    79   3.62500 -1.0 2.0
   69    68    74    81   3.62500 -1.0 2.0
   74    79   -85    55   3.62500 -1.0 2.0
   74    79    85    86   3.62500 -1.0 2.0
   79    74    81    82   0.84100 -1.0 2.0
   80    79    85    55   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   85    55    62    63   3.62500 -1.0 2.0
   85    55   -62    68   3.62500 -1.0 2.0
   81    74    79    80   3.62500 -1.0 2.0
   81    74    79    85   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   45    41    40    37   1.10000 -1.0 2.0
   40    46    45    51   1.10000 -1.0 2.0
   56    52    51    45   1.10000 -1.0 2.0
   33    51    56    57  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   38    44    43    49  15.00000 -1.0 2.0
   55    50    49    43  15.00000 -1.0 2.0
   62    85    55    49   4.00000 -1.0 2.0
   68    63    62    55   1.10000 -1.0 2.0
   74    69    68    62   1.10000 -1.0 2.0
   79    81    74    68   4.00000 -1.0 2.0
   85    80    79    74   1.10000 -1.0 2.0
   79    86    85    55   1.10000 -1.0 2.0
END
