* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    159    247     474
    1     0 S   NP   _N1_     1    30.64154    95.08537   -27.17226
    2     1 S   H    _HN1     2     1.02823    25.97079  -151.07474
    3     1 S   H    _H1_     3     1.02799   131.53582  -122.92966
    4     1 S   H    _H2_     4     1.02948    87.25006   -10.68524
    5     1 S   CT   _CA1     5     1.50110   103.78321    99.68547
    6     5 S   HC   _HA1     6     1.09571   105.19686    85.43759
    7     5 S   CO3  _C1_     7     1.53770   112.52767   -34.85698
    8     7 S   O2Z  _O11     8     1.26372   115.01176   -42.14021
    9     7 S   O2Z  _O12     9     1.26240   114.94576   137.03344
   10     5 S   CT   _CB1    10     1.53046   107.40246  -156.54853
   11    10 S   HC   HB11    11     1.09842   109.35387   -49.49562
   12    10 S   HC   HB12    12     1.09817   110.45444    67.08496
   13    10 S   CT   _CG1    13     1.53016   112.64864  -170.45184
   14    13 S   HC   HG11    14     1.09568   110.73566   -66.52690
   15    13 S   HC   HG12    15     1.09664   109.75762    52.80103
   16    13 S   C    _CD1    16     1.51733   111.95473   173.26594
   17    16 S   O    _OE1    17     1.22770   123.15846    10.50584
   18    16 S   N    _N2_    18     1.38735   111.86226  -169.61964
   19    18 S   H    _HN2    19     1.01578   119.00623     1.83728
   20    18 S   CT1  _CA2    20     1.46033   123.19740   176.45735
   21    20 S   HC   _HA2    21     1.09400   109.10137     8.47359
   22    20 S   C    _C2_    22     1.53708   109.31443  -106.46882
   23    22 S   O    _O2_    23     1.23095   122.07669  -150.25920
   24    20 S   CT   _CB2    32     1.53319   112.05410   130.84870
   25    24 S   HC   HB21    33     1.09695   109.31470    64.16848
   26    24 S   HC   HB22    34     1.09520   110.82112  -179.59122
   27    22 S   N    _N3_    24     1.38251   113.99848    37.12340
   28    27 S   H    _HN3    25     1.01528   119.67844    -2.63953
   29    24 S   S    _SG2    35     1.83156   116.20190   -55.61376
   30    27 S   CT   _CA3    26     1.45291   123.31869   177.26942
   31    30 S   HC   HA31    27     1.09543   107.44011   -67.36556
   32    30 S   HC   HA32    28     1.09555   108.10255    49.13688
   33    29 S   CT   _C22    36     1.83186   102.16721   -52.55690
   34    33 S   HC   _H3_    37     1.09557   105.57354   176.91568
   35    33 S   HC   _H4_    38     1.09174   107.68154    63.77543
   36    30 S   CO3  _C3_    29     1.52990   113.99434   171.25787
   37    36 S   O2Z  _O31    30     1.26387   116.05759     1.31403
   38    36 S   O2Z  _O32    31     1.26428   114.42851  -178.60436
   39    33 S   CT   _C23    39     1.53913   115.11599   -61.28060
   40    39 S   HC   _H52    40     1.09578   107.98438    46.40980
   41    39 S   CO4  _C12    41     1.52643   111.48747   -68.49260
   42    41 S   O    _O23    42     1.22363   125.22659   -21.69939
   43    39 S   CT   _C16    48     1.56951   113.35210   165.82179
   44    43 S   HC   _H42    49     1.10032   106.25088   165.80510
   45    41 S   OS   _O28    43     1.36675   109.35665   158.00749
   46    43 S   CT   _C17    50     1.54182   113.87959    47.74258
   47    46 S   HC   _H43    51     1.09478   109.77651   -57.51394
   48    43 S   CT   _C18    65     1.54856   110.96595   -77.94495
   49    48 S   HC   _H44    66     1.09423   109.85574    57.04862
   50    45 S   CT   _C20    44     1.43028   115.34594  -178.86581
   51    50 S   HC   _H45    45     1.09326   108.08671   177.26870
   52    50 S   HC   _H46    46     1.09426   110.43317    58.56629
   53    50 S   HC   _H47    47     1.09371   110.21471   -64.10908
   54    46 S   CT   _C13    52     1.53278   111.39287  -179.21890
   55    54 S   HC   _H37    53     1.09912   108.83153   179.19546
   56    54 S   HC   _H38    54     1.10040   108.28277   -67.47719
   57    48 S   OH   _O25    67     1.43274   108.40359   -58.77963
   58    57 S   HO   _H53    68     0.97250   108.08473   -61.70984
   59    46 S   OS   _O27    77     1.44429   108.73847    62.28803
   60    54 S   CT   _C19    55     1.54499   114.49454    55.35716
   61    59 S   CO4  _C11    78     1.36012   117.48675  -152.00182
   62    61 S   O    _O22    79     1.22266   126.06609     1.82188
   63    60 S   CT   _C14    56     1.54030   110.50595    65.64605
   64    63 S   HC   _H39    57     1.09408   113.01400   -53.24390
   65    63 S   HC   _H40    58     1.09688   110.97063    65.64905
   66    60 S   CM   _C9_    72     1.53399   105.74323  -178.01781
   67    66 S   HC   _H36    73     1.09071   115.34244   -69.14592
   68    61 S   CM   _C10    80     1.48758   109.59711  -178.24933
   69    63 S   OS   _O24    59     1.44349   113.44987  -174.25888
   70    66 S   CM   _C7_    74     1.33915   128.52502   109.42204
   71    70 S   HC   _H32    75     1.08556   119.94556  -179.38866
   72    70 S   HC   _H33    76     1.08248   123.07287    -0.03426
   73    68 S   CM   _C8_    81     1.34174   116.93532  -160.09047
   74    73 S   HC   _H34    82     1.08547   120.98076   179.98022
   75    73 S   HC   _H35    83     1.08545   122.39383     0.12972
   76    68 S   CT   _C21    84     1.49797   120.39705    19.74110
   77    76 S   HC   _H48    85     1.09400   111.05783   -57.97813
   78    76 S   HC   _H49    86     1.09534   111.59776  -178.27660
   79    69 S   CO4  _C5_    60     1.35467   124.21572    34.11749
   80    79 S   O    _O21    61     1.22696   120.75560   171.16900
   81    76 S   OH   _O26    87     1.42183   109.36732    62.34853
   82    81 S   HO   _H54    88     0.97233   107.00870  -179.44047
   83    79 S   CM   _C4_    62     1.48296   116.66239   -10.78536
   84    60 S   CT   _C15    63     1.54697   109.90480   -52.92910
   85    84 S   HC   _H41    64     1.10004   108.71352   -67.60300
   86    83 S   CM   _C6_    69     1.34382   116.83773  -165.68127
   87    86 S   HC   _H30    70     1.08550   120.88249   178.66397
   88    86 S   HC   _H31    71     1.08529   122.71175    -1.49161
  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   7   5   4   3
  11   5   4   2   1   1  15   7  10   3  17   8   4  15   7  13
   6   3   2   1   1  15   6   5   5   1   6  14   9   3  11   5
   4   8   4   8   5   3   1   1   6   2   1   4   3   2   7   3
   1   1   5   4   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    43    44    46    48  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    50    43    44    46    47    54    84    48    49    57    59  
   41    42    45    43    44    46    48  
   42    45    50    51    52    53    43    44    46    48  
   45    50    43  
   44    46    47    54    55    56    60    83    84    85    48    49    57    58    59    61    45  
   46    47    54    84    48    49    57    59  
   50    51    52    53  
   47    54    55    56    60    63    84    48    49    57    66    59    61    62    68  
   54    55    56    60    48    59    61  
   49    57    58    86    66    59    54    60    63    79    83    84    85  
   57    58    60    83    84    85  
   51    52    53  
   52    53  
   53  
    0  
   55    56    60    63    64    65    69    83    84    85    66    67    70    59    61  
   56    60    63    84    66    59  
   60    63    84    66    59  
   58    60    83    84    85  
   84  
   61    62    68    73    76    60  
   63    64    65    69    79    83    84    85    86    66    67    70    71    72  
   62    68    73    74    75    76    77    78    81  
   68    73    76  
   64    65    69    79    80    83    84    85    66    67    70  
   65    69    79    84    66  
   69    79    84    66  
   67    70    71    72    69    83    84    85  
   70    71    72    84  
   73    74    75    76    77    78    81    82  
   79    80    83    84    86  
   71    72    84  
   72  
    0  
   74    75    76    77    78    81  
   75    76  
   76  
   77    78    81    82  
   78    81    82  
   81    82  
   80    83    84    85    86    87    88  
   83    84    86  
   82  
    0  
   84    85    86    87    88  
   85    86    87    88  
   86  
   87    88  
   88  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   268.000  1.529
   46    47   340.000  1.090
   46    54   268.000  1.529
   46    59   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    63   268.000  1.529
   60    84   268.000  1.529
   60    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   320.000  1.410
   69    79   214.000  1.327
   79    80   570.000  1.229
   79    83   320.000  1.462
   83    84   317.000  1.510
   83    86   549.000  1.340
   84    85   340.000  1.090
   84    48   268.000  1.529
   48    49   340.000  1.090
   48    57   320.000  1.410
   57    58   553.000  0.945
   86    87   340.000  1.080
   86    88   340.000  1.080
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   340.000  1.080
   70    72   340.000  1.080
   59    61   214.000  1.327
   61    62   570.000  1.229
   61    68   320.000  1.462
   68    73   549.000  1.340
   68    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   320.000  1.410
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   39    43    48    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    45    50    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    46    47    37.50000  110.70000
   43    46    54    58.35000  112.70000
   43    46    59    50.00000  109.50000
   43    48    84    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    57    50.00000  109.50000
   46    43    44    37.50000  110.70000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    60    58.35000  112.70000
   46    59    61    83.00000  116.90000
   54    46    47    37.50000  110.70000
   54    60    63    58.35000  112.70000
   54    60    84    58.35000  112.70000
   54    60    66    70.00000  112.02700
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    69    50.00000  109.50000
   60    84    83    70.00000  112.02700
   60    84    85    37.50000  110.70000
   60    84    48    58.35000  112.70000
   60    66    67    35.00000  117.00000
   60    66    70    70.00000  124.00000
   63    69    79    83.00000  116.90000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    79    80    83.00000  123.40000
   69    79    83    90.00000  111.29400
   79    83    84    65.00000  116.34900
   79    83    86    65.00000  118.96000
   83    79    80    80.00000  123.72100
   83    84    85    35.00000  109.50000
   83    84    48    70.00000  112.02700
   83    86    87    35.00000  120.00000
   83    86    88    35.00000  120.00000
   84    60    63    58.35000  112.70000
   84    48    49    37.50000  110.70000
   84    48    57    50.00000  109.50000
   48    43    44    37.50000  110.70000
   48    43    46    58.35000  112.70000
   48    84    85    37.50000  110.70000
   48    57    58    55.00000  108.50000
   57    48    49    35.00000  109.50000
   86    83    84    70.00000  124.00000
   88    86    87    35.00000  117.00000
   66    60    63    70.00000  112.02700
   66    60    84    70.00000  112.02700
   66    70    71    35.00000  120.00000
   66    70    72    35.00000  120.00000
   70    66    67    35.00000  120.00000
   72    70    71    35.00000  117.00000
   59    46    47    35.00000  109.50000
   59    46    54    50.00000  109.50000
   59    61    62    83.00000  123.40000
   59    61    68    90.00000  111.29400
   61    68    73    65.00000  118.96000
   61    68    76    65.00000  116.34900
   68    61    62    80.00000  123.72100
   68    73    74    35.00000  120.00000
   68    73    75    35.00000  120.00000
   68    76    77    35.00000  109.50000
   68    76    78    35.00000  109.50000
   68    76    81    90.00000  110.39200
   75    73    74    35.00000  117.00000
   76    68    73    70.00000  124.00000
   76    81    82    55.00000  108.50000
   78    76    77    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
   33    39    43    46   0.20000  1.0 3.0
   33    39    43    48   0.56750  1.0 1.0
   33    39    43    48  -0.07550 -1.0 2.0
   33    39    43    48   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    45    50   1.63150  1.0 1.0
   39    41    45    50   2.92000 -1.0 2.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    54   0.56750  1.0 1.0
   39    43    46    54  -0.07550 -1.0 2.0
   39    43    46    54   0.20000  1.0 3.0
   39    43    46    59   0.62750  1.0 1.0
   39    43    46    59  -0.30950 -1.0 2.0
   39    43    46    59   0.27300  1.0 3.0
   39    43    48    84   0.56750  1.0 1.0
   39    43    48    84  -0.07550 -1.0 2.0
   39    43    48    84   0.20000  1.0 3.0
   39    43    48    49   0.15000  1.0 3.0
   39    43    48    57   0.86500  1.0 1.0
   39    43    48    57  -0.17500 -1.0 2.0
   39    43    48    57   0.20800  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    46  -0.95700  1.0 1.0
   41    39    43    46  -0.18200 -1.0 2.0
   41    39    43    46   0.29450  1.0 3.0
   41    39    43    48  -0.95700  1.0 1.0
   41    39    43    48  -0.18200 -1.0 2.0
   41    39    43    48   0.29450  1.0 3.0
   41    45    50    51   0.08050  1.0 3.0
   41    45    50    52   0.08050  1.0 3.0
   41    45    50    53   0.08050  1.0 3.0
   42    41    45    50   3.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.36750  1.0 3.0
   43    46    54    55   0.15000  1.0 3.0
   43    46    54    56   0.15000  1.0 3.0
   43    46    54    60   0.56750  1.0 1.0
   43    46    54    60  -0.07550 -1.0 2.0
   43    46    54    60   0.20000  1.0 3.0
   43    46    59    61  -0.25900  1.0 1.0
   43    46    59    61  -0.47000 -1.0 2.0
   43    46    59    61   0.11750  1.0 3.0
   43    48    57    58  -0.11600  1.0 1.0
   43    48    57    58  -0.09450 -1.0 2.0
   43    48    57    58   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.15000  1.0 3.0
   44    43    46    59   0.23400  1.0 3.0
   44    43    48    84   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    57   0.23400  1.0 3.0
   46    43    48    84   0.56750  1.0 1.0
   46    43    48    84  -0.07550 -1.0 2.0
   46    43    48    84   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    57   0.86500  1.0 1.0
   46    43    48    57  -0.17500 -1.0 2.0
   46    43    48    57   0.20800  1.0 3.0
   46    54    60    63   0.56750  1.0 1.0
   46    54    60    63  -0.07550 -1.0 2.0
   46    54    60    63   0.20000  1.0 3.0
   46    54   -60    84   0.56750  1.0 1.0
   46    54   -60    84  -0.07550 -1.0 2.0
   46    54   -60    84   0.20000  1.0 3.0
   46    54    60    66   0.34400  1.0 1.0
   46    54    60    66   0.09450 -1.0 2.0
   46    54    60    66   0.11100  1.0 3.0
   46    59    61    62   3.00000 -1.0 2.0
   46    59    61    68   2.00000 -1.0 2.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    60   0.15000  1.0 3.0
   47    46    59    61   0.08050  1.0 3.0
   54    46    59    61  -0.25900  1.0 1.0
   54    46    59    61  -0.47000 -1.0 2.0
   54    46    59    61   0.11750  1.0 3.0
   54    60    63    64   0.15000  1.0 3.0
   54    60    63    65   0.15000  1.0 3.0
   54    60    63    69   0.62750  1.0 1.0
   54    60    63    69  -0.30950 -1.0 2.0
   54    60    63    69   0.27300  1.0 3.0
   54    60    84    83   0.34400  1.0 1.0
   54    60    84    83   0.09450 -1.0 2.0
   54    60    84    83   0.11100  1.0 3.0
   54    60    84    85   0.15000  1.0 3.0
   54    60    84    48   0.56750  1.0 1.0
   54    60    84    48  -0.07550 -1.0 2.0
   54    60    84    48   0.20000  1.0 3.0
   54    60    66    67   0.00000  1.0 1.0
   54    60    66    70   0.09850  1.0 1.0
   54    60    66    70   0.15250 -1.0 2.0
   54    60    66    70  -0.50650  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    60    84   0.15000  1.0 3.0
   55    54    60    66   0.15000  1.0 3.0
   56    54    60    63   0.15000  1.0 3.0
   56    54    60    84   0.15000  1.0 3.0
   56    54    60    66   0.15000  1.0 3.0
   60    63    69    79  -0.25900  1.0 1.0
   60    63    69    79  -0.47000 -1.0 2.0
   60    63    69    79   0.11750  1.0 3.0
   60    84   -48    43   0.56750  1.0 1.0
   60    84   -48    43  -0.07550 -1.0 2.0
   60    84   -48    43   0.20000  1.0 3.0
   60    84    48    49   0.15000  1.0 3.0
   60    84    48    57   0.86500  1.0 1.0
   60    84    48    57  -0.17500 -1.0 2.0
   60    84    48    57   0.20800  1.0 3.0
   60    66    70    71   7.00000 -1.0 2.0
   60    66    70    72   7.00000 -1.0 2.0
   63    60    84    83   0.34400  1.0 1.0
   63    60    84    83   0.09450 -1.0 2.0
   63    60    84    83   0.11100  1.0 3.0
   63    60    84    85   0.15000  1.0 3.0
   63    60    84    48   0.56750  1.0 1.0
   63    60    84    48  -0.07550 -1.0 2.0
   63    60    84    48   0.20000  1.0 3.0
   63    60    66    67   0.00000  1.0 1.0
   63    60    66    70   0.09850  1.0 1.0
   63    60    66    70   0.15250 -1.0 2.0
   63    60    66    70  -0.50650  1.0 3.0
   63    69    79    80   3.00000 -1.0 2.0
   63    69   -79    83   2.00000 -1.0 2.0
   64    63    69    79   0.08050  1.0 3.0
   65    63    69    79   0.08050  1.0 3.0
   69    79    83    84  -0.15000  1.0 1.0
   69    79    83    84   0.89550 -1.0 2.0
   69    79    83    84  -0.06900  1.0 3.0
   69    79    83    86  -0.56150  1.0 1.0
   69    79    83    86   2.19150 -1.0 2.0
   79    83   -84    60   0.09700  1.0 1.0
   79    83   -84    60   0.15600 -1.0 2.0
   79    83   -84    60  -0.50800  1.0 3.0
   79    83    84    85   0.15000  1.0 3.0
   79    83    84    48   0.09700  1.0 1.0
   79    83    84    48   0.15600 -1.0 2.0
   79    83    84    48  -0.50800  1.0 3.0
   79    83    86    87   7.00000 -1.0 2.0
   79    83    86    88   7.00000 -1.0 2.0
   80    79    83    84  -0.64400  1.0 1.0
   80    79    83    84   0.26850 -1.0 2.0
   80    79    83    86   1.00000 -1.0 2.0
   83    84    48    43   0.34400  1.0 1.0
   83    84    48    43   0.09450 -1.0 2.0
   83    84    48    43   0.11100  1.0 3.0
   83    84    48    49   0.15000  1.0 3.0
   83    84    48    57   1.05650  1.0 1.0
   83    84    48    57   0.15600 -1.0 2.0
   83    84    48    57   0.53150  1.0 3.0
   84    60    63    64   0.15000  1.0 3.0
   84    60    63    65   0.15000  1.0 3.0
   84    60   -63    69   0.62750  1.0 1.0
   84    60   -63    69  -0.30950 -1.0 2.0
   84    60   -63    69   0.27300  1.0 3.0
   84    60    66    67   0.00000  1.0 1.0
   84    60    66    70   0.09850  1.0 1.0
   84    60    66    70   0.15250 -1.0 2.0
   84    60    66    70  -0.50650  1.0 3.0
   84    83    86    87   7.00000 -1.0 2.0
   84    83    86    88   7.00000 -1.0 2.0
   84    48    57    58  -0.11600  1.0 1.0
   84    48    57    58  -0.09450 -1.0 2.0
   84    48    57    58   0.21250  1.0 3.0
   85    84    48    43   0.15000  1.0 3.0
   85    84    48    49   0.15000  1.0 3.0
   85    84    48    57   0.23400  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43   -46    54   0.56750  1.0 1.0
   48    43   -46    54  -0.07550 -1.0 2.0
   48    43   -46    54   0.20000  1.0 3.0
   48    43    46    59   0.62750  1.0 1.0
   48    43    46    59  -0.30950 -1.0 2.0
   48    43    46    59   0.27300  1.0 3.0
   49    48    57    58   0.19450  1.0 3.0
   86    83    84    60   0.09850  1.0 1.0
   86    83    84    60   0.15250 -1.0 2.0
   86    83    84    60  -0.50650  1.0 3.0
   86    83    84    85   0.00000  1.0 1.0
   86    83    84    48   0.09850  1.0 1.0
   86    83    84    48   0.15250 -1.0 2.0
   86    83    84    48  -0.50650  1.0 3.0
   66    60    63    64   0.15000  1.0 3.0
   66    60    63    65   0.15000  1.0 3.0
   66    60    63    69   0.61850  1.0 1.0
   66    60    63    69  -0.22750 -1.0 2.0
   66    60    63    69   0.15300  1.0 3.0
   66    60    84    83   0.31000  1.0 1.0
   66    60    84    83   0.14700 -1.0 2.0
   66    60    84    83   0.07550  1.0 3.0
   66    60    84    85   0.15000  1.0 3.0
   66    60    84    48   0.34400  1.0 1.0
   66    60    84    48   0.09450 -1.0 2.0
   66    60    84    48   0.11100  1.0 3.0
   67    66    70    71   7.00000 -1.0 2.0
   67    66    70    72   7.00000 -1.0 2.0
   59    46    54    55   0.23400  1.0 3.0
   59    46    54    56   0.23400  1.0 3.0
   59    46    54    60   0.62750  1.0 1.0
   59    46    54    60  -0.30950 -1.0 2.0
   59    46    54    60   0.27300  1.0 3.0
   59    61    68    73  -0.56150  1.0 1.0
   59    61    68    73   2.19150 -1.0 2.0
   59    61    68    76  -0.15000  1.0 1.0
   59    61    68    76   0.89550 -1.0 2.0
   59    61    68    76  -0.06900  1.0 3.0
   61    68    73    74   7.00000 -1.0 2.0
   61    68    73    75   7.00000 -1.0 2.0
   61    68    76    77   0.15000  1.0 3.0
   61    68    76    78   0.15000  1.0 3.0
   61    68    76    81   0.09700  1.0 1.0
   61    68    76    81   0.15600 -1.0 2.0
   61    68    76    81  -0.50800  1.0 3.0
   62    61    68    73   1.00000 -1.0 2.0
   62    61    68    76  -0.64400  1.0 1.0
   62    61    68    76   0.26850 -1.0 2.0
   68    76    81    82  -0.07800  1.0 1.0
   68    76    81    82  -0.21500 -1.0 2.0
   68    76    81    82  -0.03150  1.0 3.0
   73    68    76    77   0.00000  1.0 1.0
   73    68    76    78   0.00000  1.0 1.0
   73    68    76    81   0.67800  1.0 1.0
   73    68    76    81   0.47050 -1.0 2.0
   73    68    76    81  -0.62500  1.0 3.0
   76    68    73    74   7.00000 -1.0 2.0
   76    68    73    75   7.00000 -1.0 2.0
   77    76    81    82   0.19450  1.0 3.0
   78    76    81    82   0.19450  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
   38    30    36    37  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   69    83    79    80  10.50000 -1.0 2.0
   79    84    83    86   1.10000 -1.0 2.0
   87    88    86    83   1.10000 -1.0 2.0
   60    67    66    70  15.00000 -1.0 2.0
   71    72    70    66  15.00000 -1.0 2.0
   59    68    61    62  10.50000 -1.0 2.0
   61    76    68    73  15.00000 -1.0 2.0
   74    75    73    68  15.00000 -1.0 2.0
END
