* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    156    240     462
    1     0 S   NP   _N1_     1    29.12205    93.62478   -24.73649
    2     1 S   H    _HN1     2     1.02953    77.66107    32.63017
    3     1 S   H    _H1_     3     1.02809    29.70989  -154.73625
    4     1 S   H    _H2_     4     1.02820   114.87803   -71.94935
    5     1 S   CT   _CA1     5     1.50170   126.40389   138.90943
    6     5 S   HC   _HA1     6     1.09570   105.18072    87.81317
    7     5 S   CO3  _C1_     7     1.53752   112.62472   -32.45260
    8     7 S   O2Z  _O11     8     1.26373   115.03645   -39.87117
    9     7 S   O2Z  _O12     9     1.26249   114.95791   139.22973
   10     5 S   CT   _CB1    10     1.52962   107.23983  -154.26619
   11    10 S   HC   HB11    11     1.09724   109.08292   -49.52763
   12    10 S   HC   HB12    12     1.09817   110.47861    66.92731
   13    10 S   CT   _CG1    13     1.52972   112.94118  -170.43396
   14    13 S   HC   HG11    14     1.09566   110.64708   -67.15105
   15    13 S   HC   HG12    15     1.09662   109.91048    52.29003
   16    13 S   C    _CD1    16     1.51735   111.87238   172.48509
   17    16 S   O    _OE1    17     1.22664   123.12343     5.60375
   18    16 S   N    _N2_    18     1.38471   111.94380  -174.33016
   19    18 S   H    _HN2    19     1.01596   119.03753    -1.33940
   20    18 S   CT1  _CA2    20     1.46223   123.16664   177.32117
   21    20 S   HC   _HA2    21     1.09670   108.94654   -16.38420
   22    20 S   C    _C2_    22     1.53403   108.30357  -131.17400
   23    22 S   O    _O2_    23     1.23017   122.46669  -149.67028
   24    20 S   CT   _CB2    32     1.53376   111.59988   106.24088
   25    24 S   HC   HB21    33     1.09626   109.81867    51.54947
   26    24 S   HC   HB22    34     1.09528   111.66367   169.71763
   27    22 S   N    _N3_    24     1.38420   113.38291    38.03133
   28    27 S   H    _HN3    25     1.01644   119.37351    -4.02997
   29    24 S   S    _SG2    35     1.82714   112.87824   -68.13732
   30    27 S   CT   _CA3    26     1.45271   123.14627   176.77706
   31    30 S   HC   HA31    27     1.09555   107.40654   -65.16940
   32    30 S   HC   HA32    28     1.09552   108.05982    51.24108
   33    29 S   CT   _C23    36     1.82441    99.25798   -81.62312
   34    33 S   HC   _H3_    37     1.09507   108.64899   -75.93958
   35    33 S   HC   _H4_    38     1.09249   109.20575    39.10586
   36    30 S   CO3  _C3_    29     1.52921   114.14380   173.17539
   37    36 S   O2Z  _O31    30     1.26363   116.04718    -5.69812
   38    36 S   O2Z  _O32    31     1.26415   114.42892   174.31287
   39    33 S   CM   _C11    39     1.52043   110.63658   162.76809
   40    39 S   CMA  _C12    40     1.36710   123.07228  -104.59455
   41    40 S   OM   _O21    41     1.26904   125.53305   179.52481
   42    39 S   CT   _C22    83     1.51937   114.39294    76.93078
   43    42 S   HC   _H48    84     1.09387   113.27718  -179.59603
   44    42 S   HC   _H49    85     1.09473   110.50744   -59.21717
   45    40 S   OS   _O27    42     1.41825   111.86052     1.62751
   46    42 S   OH   _O26    86     1.42420   109.61356    60.30758
   47    46 S   HO   _H53    87     0.97199   106.78895   178.67072
   48    45 S   CT   _C18    43     1.44380   115.44176  -131.11205
   49    48 S   HC   _H43    44     1.09463   110.71852   -43.56202
   50    48 S   CT   _C14    45     1.53732   108.77096    77.12249
   51    50 S   HC   _H37    46     1.09884   109.07166   -62.98926
   52    50 S   HC   _H38    47     1.10021   108.32320    50.59095
   53    48 S   CT   _C17    60     1.54886   107.44154  -163.28146
   54    53 S   HC   _H42    61     1.09863   105.58692   -55.48257
   55    50 S   CT   _C20    48     1.54464   114.60747   173.40697
   56    53 S   CM   _C10    62     1.53304   114.14154    62.15694
   57    55 S   CT   _C15    49     1.53977   110.51603    65.63432
   58    57 S   HC   _H39    50     1.09397   112.98289   -53.38987
   59    57 S   HC   _H40    51     1.09688   111.00665    65.54719
   60    56 S   CM   _C8_    63     1.34428   124.56910    33.65345
   61    60 S   HC   _H34    64     1.08399   121.95346     0.71846
   62    60 S   HC   _H35    65     1.08546   122.57545  -179.38579
   63    56 S   CO4  _C13    66     1.49875   120.49978  -146.02894
   64    63 S   O    _O23    67     1.22413   124.42187  -171.58441
   65    55 S   CM   _C9_    78     1.53463   105.68401  -178.08500
   66    65 S   HC   _H36    79     1.09072   115.30488   -69.36653
   67    57 S   OS   _O24    52     1.44400   113.44359  -174.33901
   68    63 S   OS   _O28    68     1.35991   110.32688     8.31262
   69    65 S   CM   _C7_    80     1.33917   128.54397   109.07116
   70    69 S   HC   _H32    81     1.08551   119.94120  -179.29224
   71    69 S   HC   _H33    82     1.08246   123.05548    -0.04846
   72    67 S   CO4  _C5_    53     1.35458   124.23085    33.89586
   73    72 S   O    _O22    54     1.22702   120.79220   171.09364
   74    68 S   CT   _C21    69     1.43061   115.73009   179.70859
   75    74 S   HC   _H45    70     1.09288   107.91745   174.83942
   76    74 S   HC   _H46    71     1.09422   110.58710    56.24756
   77    74 S   HC   _H47    72     1.09386   110.04934   -66.45443
   78    72 S   CM   _C4_    55     1.48251   116.66215   -10.65907
   79    55 S   CT   _C16    56     1.54640   110.00166   -53.01257
   80    79 S   HC   _H41    57     1.10024   108.61171   -67.59324
   81    78 S   CM   _C6_    75     1.34389   116.84641  -165.38351
   82    81 S   HC   _H30    76     1.08561   120.84519   178.57646
   83    81 S   HC   _H31    77     1.08523   122.72872    -1.51142
   84    79 S   CT   _C19    58     1.55280   113.17689    50.24708
   85    84 S   HC   _H44    59     1.09700   110.36305    70.79649
   86    84 S   OH   _O25    73     1.43421   108.32409  -173.18008
   87    86 S   HO   _H52    74     0.97299   107.95474    67.79186
  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   6   5   4   3
  10   4   3   2   1   1   9  10   3   5   3   2  10   1   1  16
   8  17   6   5  16   7  17  11  12   5   4   6   2   1   7   2
   9   4   5   4   3   1   1   8   3   3   2   1   1   8   8   4
   3   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    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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    45    42    43    44    46  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    45    48    42    43    44    46    47  
   41    45    48    49    50    53    42    43    44    46  
   45    48    42  
   43    44    46    47    45  
   44    46    47  
   46    47  
   48    49    50    51    52    55    84    53    54    56  
   47  
    0  
   49    50    51    52    55    57    79    84    85    53    54    56    60    63    86    65  
   50    51    52    55    84    53    54    56  
   51    52    55    57    58    59    67    78    79    80    84    53    54    56    65    66    69  
   52    55    57    79    53    65  
   55    57    79    53    65  
   54    56    60    61    62    63    64    68    86    87    55    78    79    80    84    85  
   56    60    63    86    79    84    85  
   57    58    59    67    72    78    79    80    84    85    86    81    65    66    69    70    71  
   60    61    62    63    64    68    74    86    79    84    85  
   58    59    67    72    73    78    79    80    84    65    66    69  
   59    67    72    79    65  
   67    72    79    65  
   61    62    63    64    68    84  
   62    63  
   63  
   64    68    74    75    76    77    84  
   68    74  
   66    69    70    71    67    78    79    80    84  
   69    70    71    79  
   72    73    78    79    81  
   74    75    76    77  
   70    71    79  
   71  
    0  
   73    78    79    80    84    81    82    83  
   78    79    81  
   75    76    77  
   76    77  
   77  
    0  
   79    80    84    85    86    81    82    83  
   80    84    85    86    87    81    82    83  
   84    85    86    81  
   82    83    84  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    45   440.000  1.360
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    57   268.000  1.529
   55    79   268.000  1.529
   55    65   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    67   320.000  1.410
   67    72   214.000  1.327
   72    73   570.000  1.229
   72    78   320.000  1.462
   78    79   317.000  1.510
   78    81   549.000  1.340
   79    80   340.000  1.090
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    53   268.000  1.529
   84    86   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    60   549.000  1.340
   56    63   320.000  1.462
   60    61   340.000  1.080
   60    62   340.000  1.080
   63    64   570.000  1.229
   63    68   214.000  1.327
   68    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   86    87   553.000  0.945
   81    82   340.000  1.080
   81    83   340.000  1.080
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    71   340.000  1.080
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   320.000  1.410
   46    47   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    45    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    46    90.00000  110.39200
   40    45    48    90.00000  111.18400
   45    40    41    65.00000  121.00000
   45    48    49    35.00000  109.50000
   45    48    50    50.00000  109.50000
   45    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    53    84    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    58.35000  112.70000
   50    55    79    58.35000  112.70000
   50    55    65    70.00000  112.02700
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    67    50.00000  109.50000
   55    79    78    70.00000  112.02700
   55    79    80    37.50000  110.70000
   55    79    84    58.35000  112.70000
   55    65    66    35.00000  117.00000
   55    65    69    70.00000  124.00000
   57    67    72    83.00000  116.90000
   59    57    58    33.00000  107.80000
   67    57    58    35.00000  109.50000
   67    57    59    35.00000  109.50000
   67    72    73    83.00000  123.40000
   67    72    78    90.00000  111.29400
   72    78    79    65.00000  116.34900
   72    78    81    65.00000  118.96000
   78    72    73    80.00000  123.72100
   78    79    80    35.00000  109.50000
   78    79    84    70.00000  112.02700
   78    81    82    35.00000  120.00000
   78    81    83    35.00000  120.00000
   79    55    57    58.35000  112.70000
   79    84    85    37.50000  110.70000
   79    84    53    58.35000  112.70000
   79    84    86    50.00000  109.50000
   84    79    80    37.50000  110.70000
   84    53    54    37.50000  110.70000
   84    53    56    70.00000  112.02700
   84    86    87    55.00000  108.50000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    84    85    37.50000  110.70000
   53    56    60    70.00000  124.00000
   53    56    63    65.00000  116.34900
   56    53    54    35.00000  109.50000
   56    60    61    35.00000  120.00000
   56    60    62    35.00000  120.00000
   56    63    64    80.00000  123.72100
   56    63    68    90.00000  111.29400
   62    60    61    35.00000  117.00000
   63    56    60    65.00000  118.96000
   63    68    74    83.00000  116.90000
   68    63    64    83.00000  123.40000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   86    84    85    35.00000  109.50000
   86    84    53    50.00000  109.50000
   81    78    79    70.00000  124.00000
   83    81    82    35.00000  117.00000
   65    55    57    70.00000  112.02700
   65    55    79    70.00000  112.02700
   65    69    70    35.00000  120.00000
   65    69    71    35.00000  120.00000
   69    65    66    35.00000  120.00000
   71    69    70    35.00000  117.00000
   42    39    40    70.00000  124.00000
   42    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    45   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    46   0.18000  1.0 1.0
   33    39    42    46   0.16450 -1.0 2.0
   33    39    42    46   0.04450  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    45    48  -2.26850  1.0 1.0
   39    40    45    48   3.39050 -1.0 2.0
   39    42    46    47  -0.07800  1.0 1.0
   39    42    46    47  -0.21500 -1.0 2.0
   39    42    46    47  -0.03150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    46   0.67800  1.0 1.0
   40    39    42    46   0.47050 -1.0 2.0
   40    39    42    46  -0.62500  1.0 3.0
   40    45    48    49   0.08050  1.0 3.0
   40    45    48    50  -0.46850  1.0 1.0
   40    45    48    50   0.09300 -1.0 2.0
   40    45    48    50  -0.12850  1.0 3.0
   40    45    48    53  -0.46850  1.0 1.0
   40    45    48    53   0.09300 -1.0 2.0
   40    45    48    53  -0.12850  1.0 3.0
   41    40    45    48   2.00000 -1.0 2.0
   45    48    50    51   0.23400  1.0 3.0
   45    48    50    52   0.23400  1.0 3.0
   45    48    50    55   0.62750  1.0 1.0
   45    48    50    55  -0.30950 -1.0 2.0
   45    48    50    55   0.27300  1.0 3.0
   45    48    53    84   0.62750  1.0 1.0
   45    48    53    84  -0.30950 -1.0 2.0
   45    48    53    84   0.27300  1.0 3.0
   45    48    53    54   0.23400  1.0 3.0
   45    48    53    56   0.61850  1.0 1.0
   45    48    53    56  -0.22750 -1.0 2.0
   45    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.56750  1.0 1.0
   48    50    55    57  -0.07550 -1.0 2.0
   48    50    55    57   0.20000  1.0 3.0
   48    50    55    79   0.56750  1.0 1.0
   48    50    55    79  -0.07550 -1.0 2.0
   48    50    55    79   0.20000  1.0 3.0
   48    50    55    65   0.34400  1.0 1.0
   48    50    55    65   0.09450 -1.0 2.0
   48    50    55    65   0.11100  1.0 3.0
   48    53    56    60   0.09850  1.0 1.0
   48    53    56    60   0.15250 -1.0 2.0
   48    53    56    60  -0.50650  1.0 3.0
   48    53    56    63   0.09700  1.0 1.0
   48    53    56    63   0.15600 -1.0 2.0
   48    53    56    63  -0.50800  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    84   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    84   0.56750  1.0 1.0
   50    48    53    84  -0.07550 -1.0 2.0
   50    48    53    84   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    59   0.15000  1.0 3.0
   50    55    57    67   0.62750  1.0 1.0
   50    55    57    67  -0.30950 -1.0 2.0
   50    55    57    67   0.27300  1.0 3.0
   50    55    79    78   0.34400  1.0 1.0
   50    55    79    78   0.09450 -1.0 2.0
   50    55    79    78   0.11100  1.0 3.0
   50    55    79    80   0.15000  1.0 3.0
   50    55   -79    84   0.56750  1.0 1.0
   50    55   -79    84  -0.07550 -1.0 2.0
   50    55   -79    84   0.20000  1.0 3.0
   50    55    65    66   0.00000  1.0 1.0
   50    55    65    69   0.09850  1.0 1.0
   50    55    65    69   0.15250 -1.0 2.0
   50    55    65    69  -0.50650  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    79   0.15000  1.0 3.0
   51    50    55    65   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    79   0.15000  1.0 3.0
   52    50    55    65   0.15000  1.0 3.0
   55    57    67    72  -0.25900  1.0 1.0
   55    57    67    72  -0.47000 -1.0 2.0
   55    57    67    72   0.11750  1.0 3.0
   55    79    84    85   0.15000  1.0 3.0
   55    79    84    53   0.56750  1.0 1.0
   55    79    84    53  -0.07550 -1.0 2.0
   55    79    84    53   0.20000  1.0 3.0
   55    79    84    86   0.86500  1.0 1.0
   55    79    84    86  -0.17500 -1.0 2.0
   55    79    84    86   0.20800  1.0 3.0
   55    65    69    70   7.00000 -1.0 2.0
   55    65    69    71   7.00000 -1.0 2.0
   57    55    79    78   0.34400  1.0 1.0
   57    55    79    78   0.09450 -1.0 2.0
   57    55    79    78   0.11100  1.0 3.0
   57    55    79    80   0.15000  1.0 3.0
   57    55    79    84   0.56750  1.0 1.0
   57    55    79    84  -0.07550 -1.0 2.0
   57    55    79    84   0.20000  1.0 3.0
   57    55    65    66   0.00000  1.0 1.0
   57    55    65    69   0.09850  1.0 1.0
   57    55    65    69   0.15250 -1.0 2.0
   57    55    65    69  -0.50650  1.0 3.0
   57    67    72    73   3.00000 -1.0 2.0
   57    67   -72    78   2.00000 -1.0 2.0
   58    57    67    72   0.08050  1.0 3.0
   59    57    67    72   0.08050  1.0 3.0
   67    72    78    79  -0.15000  1.0 1.0
   67    72    78    79   0.89550 -1.0 2.0
   67    72    78    79  -0.06900  1.0 3.0
   67    72    78    81  -0.56150  1.0 1.0
   67    72    78    81   2.19150 -1.0 2.0
   72    78   -79    55   0.09700  1.0 1.0
   72    78   -79    55   0.15600 -1.0 2.0
   72    78   -79    55  -0.50800  1.0 3.0
   72    78    79    80   0.15000  1.0 3.0
   72    78    79    84   0.09700  1.0 1.0
   72    78    79    84   0.15600 -1.0 2.0
   72    78    79    84  -0.50800  1.0 3.0
   72    78    81    82   7.00000 -1.0 2.0
   72    78    81    83   7.00000 -1.0 2.0
   73    72    78    79  -0.64400  1.0 1.0
   73    72    78    79   0.26850 -1.0 2.0
   73    72    78    81   1.00000 -1.0 2.0
   78    79    84    85   0.15000  1.0 3.0
   78    79    84    53   0.34400  1.0 1.0
   78    79    84    53   0.09450 -1.0 2.0
   78    79    84    53   0.11100  1.0 3.0
   78    79    84    86   1.05650  1.0 1.0
   78    79    84    86   0.15600 -1.0 2.0
   78    79    84    86   0.53150  1.0 3.0
   79    55    57    58   0.15000  1.0 3.0
   79    55    57    59   0.15000  1.0 3.0
   79    55   -57    67   0.62750  1.0 1.0
   79    55   -57    67  -0.30950 -1.0 2.0
   79    55   -57    67   0.27300  1.0 3.0
   79    55    65    66   0.00000  1.0 1.0
   79    55    65    69   0.09850  1.0 1.0
   79    55    65    69   0.15250 -1.0 2.0
   79    55    65    69  -0.50650  1.0 3.0
   79    78    81    82   7.00000 -1.0 2.0
   79    78    81    83   7.00000 -1.0 2.0
   79    84   -53    48   0.56750  1.0 1.0
   79    84   -53    48  -0.07550 -1.0 2.0
   79    84   -53    48   0.20000  1.0 3.0
   79    84    53    54   0.15000  1.0 3.0
   79    84    53    56   0.34400  1.0 1.0
   79    84    53    56   0.09450 -1.0 2.0
   79    84    53    56   0.11100  1.0 3.0
   79    84    86    87  -0.11600  1.0 1.0
   79    84    86    87  -0.09450 -1.0 2.0
   79    84    86    87   0.21250  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    53   0.15000  1.0 3.0
   80    79    84    86   0.23400  1.0 3.0
   84    53    56    60   0.09850  1.0 1.0
   84    53    56    60   0.15250 -1.0 2.0
   84    53    56    60  -0.50650  1.0 3.0
   84    53    56    63   0.09700  1.0 1.0
   84    53    56    63   0.15600 -1.0 2.0
   84    53    56    63  -0.50800  1.0 3.0
   85    84    53    48   0.15000  1.0 3.0
   85    84    53    54   0.15000  1.0 3.0
   85    84    53    56   0.15000  1.0 3.0
   85    84    86    87   0.19450  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48   -50    55   0.56750  1.0 1.0
   53    48   -50    55  -0.07550 -1.0 2.0
   53    48   -50    55   0.20000  1.0 3.0
   53    84    86    87  -0.11600  1.0 1.0
   53    84    86    87  -0.09450 -1.0 2.0
   53    84    86    87   0.21250  1.0 3.0
   53    56    60    61   7.00000 -1.0 2.0
   53    56    60    62   7.00000 -1.0 2.0
   53    56    63    64  -0.64400  1.0 1.0
   53    56    63    64   0.26850 -1.0 2.0
   53    56    63    68  -0.15000  1.0 1.0
   53    56    63    68   0.89550 -1.0 2.0
   53    56    63    68  -0.06900  1.0 3.0
   54    53    56    60   0.00000  1.0 1.0
   54    53    56    63   0.15000  1.0 3.0
   56    63    68    74   2.00000 -1.0 2.0
   60    56    63    64   1.00000 -1.0 2.0
   60    56    63    68  -0.56150  1.0 1.0
   60    56    63    68   2.19150 -1.0 2.0
   63    56    60    61   7.00000 -1.0 2.0
   63    56    60    62   7.00000 -1.0 2.0
   63    68    74    75   0.08050  1.0 3.0
   63    68    74    76   0.08050  1.0 3.0
   63    68    74    77   0.08050  1.0 3.0
   64    63    68    74   3.00000 -1.0 2.0
   86    84    53    48   0.86500  1.0 1.0
   86    84    53    48  -0.17500 -1.0 2.0
   86    84    53    48   0.20800  1.0 3.0
   86    84    53    54   0.23400  1.0 3.0
   86    84    53    56   1.05650  1.0 1.0
   86    84    53    56   0.15600 -1.0 2.0
   86    84    53    56   0.53150  1.0 3.0
   81    78    79    55   0.09850  1.0 1.0
   81    78    79    55   0.15250 -1.0 2.0
   81    78    79    55  -0.50650  1.0 3.0
   81    78    79    80   0.00000  1.0 1.0
   81    78    79    84   0.09850  1.0 1.0
   81    78    79    84   0.15250 -1.0 2.0
   81    78    79    84  -0.50650  1.0 3.0
   65    55    57    58   0.15000  1.0 3.0
   65    55    57    59   0.15000  1.0 3.0
   65    55    57    67   0.61850  1.0 1.0
   65    55    57    67  -0.22750 -1.0 2.0
   65    55    57    67   0.15300  1.0 3.0
   65    55    79    78   0.31000  1.0 1.0
   65    55    79    78   0.14700 -1.0 2.0
   65    55    79    78   0.07550  1.0 3.0
   65    55    79    80   0.15000  1.0 3.0
   65    55    79    84   0.34400  1.0 1.0
   65    55    79    84   0.09450 -1.0 2.0
   65    55    79    84   0.11100  1.0 3.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    71   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -1.0 2.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47   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
   33    42    39    40  15.00000 -1.0 2.0
   41    45    40    39  15.00000 -1.0 2.0
   67    78    72    73  10.50000 -1.0 2.0
   72    79    78    81   1.10000 -1.0 2.0
   53    63    56    60  15.00000 -1.0 2.0
   61    62    60    56  15.00000 -1.0 2.0
   56    68    63    64  10.50000 -1.0 2.0
   82    83    81    78   1.10000 -1.0 2.0
   55    66    65    69  15.00000 -1.0 2.0
   70    71    69    65  15.00000 -1.0 2.0
END
