* LIGAND DATABASE FILE (OPLS2005)
*
001      92    96    171    272     488
    1     0 S   NP   _N1_     1    28.74498    94.55529   -17.07608
    2     1 S   H    _HN1     2     1.02765    69.52858   -64.85736
    3     1 S   H    _H1_     3     1.03091   105.77983    39.14183
    4     1 S   H    _H2_     4     1.02826    40.95199   136.90997
    5     1 S   CT   _CA1     5     1.50075   140.07212  -165.49014
    6     5 S   HC   _HA1     6     1.09561   105.28307    22.00728
    7     5 S   CO3  _C1_     7     1.53786   112.20732   -98.42179
    8     7 S   O2Z  _O11     8     1.26352   115.00457   -47.81250
    9     7 S   O2Z  _O12     9     1.26219   114.93420   131.37207
   10     5 S   CT   _CB1    10     1.53000   107.53433   140.00919
   11    10 S   HC   HB11    11     1.09798   109.57864   -48.73113
   12    10 S   HC   HB12    12     1.09683   110.30646    68.05269
   13    10 S   CT   _CG1    13     1.52988   112.76395  -170.14605
   14    13 S   HC   HG11    14     1.09527   110.30755   -58.04223
   15    13 S   HC   HG12    15     1.09598   110.33935    61.07433
   16    13 S   C    _CD1    16     1.51796   111.54873  -179.10082
   17    16 S   O    _OE1    17     1.22763   122.90715   -22.21420
   18    16 S   N    _N2_    18     1.38542   112.05954   158.97668
   19    18 S   H    _HN2    19     1.01565   119.13282     1.72896
   20    18 S   CT1  _CA2    20     1.46208   123.21548  -177.00893
   21    20 S   HC   _HA2    21     1.09727   109.52062   -13.51931
   22    20 S   C    _C2_    22     1.53316   107.98398  -129.43470
   23    22 S   O    _O2_    23     1.23006   122.35118  -141.90679
   24    20 S   CT   _CB2    32     1.53513   111.34590   108.63335
   25    24 S   HC   HB21    33     1.09196   109.28550    58.40629
   26    24 S   HC   HB22    34     1.09536   109.98342   176.13158
   27    22 S   N    _N3_    24     1.38528   113.22753    45.04722
   28    27 S   H    _HN3    25     1.01533   118.94236    -0.27411
   29    24 S   S    _SG2    35     1.82930   111.51326   -65.11836
   30    27 S   CT   _CA3    26     1.45436   123.29261   175.17403
   31    30 S   HC   HA31    27     1.09535   109.03555    27.98539
   32    30 S   HC   HA32    28     1.09489   107.16816   144.97493
   33    29 S   CT   _C24    36     1.90836   103.51984   147.18946
   34    30 S   CO3  _C3_    29     1.52949   113.27692   -95.33451
   35    34 S   O2Z  _O31    30     1.26389   115.48828   -42.29987
   36    34 S   O2Z  _O32    31     1.26366   114.91850   138.62260
   37    33 S   CM   _C12    37     1.55582   104.38893   172.64113
   38    33 S   CT   _C25    72     1.55840   108.48384    53.83535
   39    38 S   HC   _H23    73     1.09543   113.59429    80.84776
   40    38 S   HC   _H24    74     1.09006   112.18492   -37.75417
   41    37 S   N4   _N8_    38     1.36519   119.73249    98.39200
   42    37 S   CMA  _C13    69     1.53910   120.76085   -71.99523
   43    42 S   OM   _O4_    70     1.26315   120.09398  -107.93657
   44    42 S   OM   _O5_    71     1.26262   121.63001    72.91002
   45    38 S   NAP  _N9_    75     1.49303   113.14297  -158.02616
   46    41 S   C4   _C5_    39     1.35406   136.46600  -162.91746
   47    46 S   O    _O1_    40     1.20868   134.47990    -6.21867
   48    41 S   C4T  _C23    43     1.44954   126.94757    21.03442
   49    48 S   HC   _H22    44     1.09783   111.91985    78.30212
   50    45 S   CA   _C16    76     1.35677   119.59760   -77.19100
   51    50 S   HA   _H13    77     1.07993   117.37691    -0.42613
   52    46 S   C4T  _C4_    41     1.56979    89.48759   169.34926
   53    52 S   HC   _H4_    42     1.09464   114.03645   126.72018
   54    48 S   S    _S2_    45     1.80534   110.79084   -49.60372
   55    50 S   CA   _C14    78     1.39600   121.56979   179.13385
   56    55 S   HA   _H11    79     1.08619   119.75332  -179.07804
   57    33 S   CT   _C22    46     1.55942   106.72166   -66.67447
   58    57 S   HC   _H20    47     1.09168   112.67040    54.34268
   59    57 S   HC   _H21    48     1.09490   110.65552   172.57847
   60    52 S   N    _N4_    49     1.47885   113.07128  -103.84267
   61    60 S   H    _H3_    50     1.01913   119.01522   108.18690
   62    55 S   CA   _C15    80     1.38796   120.04134     0.69295
   63    62 S   HA   _H12    81     1.08453   120.84486  -179.23153
   64    60 S   C    _C10    51     1.37846   122.50236   -64.27038
   65    64 S   O    _O33    52     1.22052   128.51426   -12.80597
   66    62 S   CA   _C17    82     1.37769   117.68788     1.17337
   67    64 S   CD   _C9_    53     1.50739   112.55565   163.21648
   68    45 S   CA   _C18    83     1.35169   121.74487   104.74274
   69    67 S   C5B  _C7_    54     1.45379   118.55808   -74.66547
   70    67 S   NI   _N6_    63     1.29798   122.48680   105.02195
   71    68 S   CT   _C20    84     1.50319   128.07693    -1.93694
   72    71 S   HC   _H16    85     1.09360   110.15021   -77.53711
   73    71 S   HC   _H17    86     1.09215   113.45815    46.79499
   74    69 S   C5A  _C6_    55     1.38085   126.28992  -175.11288
   75    74 S   HA   _H5_    56     1.08070   128.95817     1.11241
   76    70 S   OS   _O3_    64     1.40199   111.01713    -0.24309
   77    71 S   CT   _C21    87     1.53634   101.14731   165.12347
   78    77 S   HC   _H18    88     1.09910   109.02338   -88.81347
   79    77 S   HC   _H19    89     1.09449   112.41435   152.64592
   80    74 S   SA   _S1_    57     1.71379   110.02469  -178.53100
   81    76 S   CT   _C11    65     1.41913   108.39543   177.69115
   82    81 S   HC   _H6_    66     1.09314   108.46580  -178.80123
   83    81 S   HC   _H7_    67     1.09408   110.35196    62.23341
   84    81 S   HC   _H8_    68     1.09441   110.38956   -59.76517
   85    66 S   CT   _C19    90     1.49479   128.05605  -178.60380
   86    85 S   HC   _H14    91     1.09354   112.60638   -44.67007
   87    85 S   HC   _H15    92     1.09483   110.14456    78.63071
   88    80 S   CRA  _C8_    58     1.72323    90.03782    -0.10468
   89    69 S   N5B  _N5_    59     1.38689   119.37504     5.85886
   90    88 S   NE   _N7_    60     1.34581   120.86613   179.59266
   91    90 S   H    _H9_    61     1.01879   121.31294  -178.42803
   92    90 S   H    _H10    62     1.01308   122.43380    -1.09235
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  17  15   5   4  12   5   1   1  13   9   4  10
   5   8   4   8   4   4   6   3   2   1   1   6   3   8   3   7
   3  10   9   9   8   7   8   5   4   5   3   4   5   4   3   5
   3   2   1   1   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    57    58    59    42    43    44    38    39    40    45    50    68  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    55    66    68    71    41    42    54    57    58    59  
   40    45    50    68    57  
   45    50    68    57  
   46    47    52    53    48    49    54    57    60    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    55    56    62    66    68    71    72    73    77    85    57  
   47    52    53    48    49    54    60    61    64  
   52    53    48    60  
   49    54    57    58    59    60    61    64    52    53  
   54    57    60    52    53  
   51    55    56    62    63    66    68    71  
   55    56    62    68  
   53    54    57    60    61    64    65    67  
   54    60    61    64  
   57    58    59    60  
   56    62    63    66    68    85  
   62    63    66  
   58    59  
   59  
    0  
   61    64    65    67    69    70  
   64    65    67  
   63    66    68    71    77    85    86    87  
   66    68    85  
   65    67    69    74    89    70    76  
   67    69    70  
   68    71    72    73    77    78    79    85    86    87  
   69    74    75    80    88    89    70    76    81  
   71    72    73    77    78    79    85    86    87  
   74    75    80    88    89    90    70    76  
   76    81    82    83    84    74    89  
   72    73    77    78    79    85    86    87  
   73    77    78    79    85  
   77    78    79    85  
   75    80    88    89    90  
   80    88    89  
   81    82    83    84  
   78    79    85    86    87  
   79    85    86    87  
   85    86    87  
   88    89    90    91    92  
   82    83    84  
   83    84  
   84  
    0  
   86    87  
   87  
    0  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   71   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   81   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   89   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   90   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   91   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    60   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    64   490.000  1.335
   64    65   570.000  1.229
   64    67   270.000  1.486
   67    69   305.000  1.466
   67    70   500.000  1.261
   69    74   520.000  1.370
   69    89   410.000  1.394
   74    75   367.000  1.080
   74    80   265.000  1.745
   80    88   250.000  1.765
   88    89   488.000  1.335
   88    90   420.000  1.385
   90    91   434.000  1.010
   90    92   434.000  1.010
   70    76   320.000  1.394
   76    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   280.000  1.457
   45    50   485.000  1.342
   45    68   485.000  1.342
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    68   469.000  1.400
   66    85   317.000  1.510
   68    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    54    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  109.47200
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    64    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    57    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    53    50.00000  112.01000
   60    52    48    80.00000  110.05700
   60    64    65    80.00000  122.90000
   60    64    67    75.00000  109.57000
   64    60    61    35.00000  119.80000
   64    67    69    75.00000  114.44000
   64    67    70    65.00000  123.79500
   67    64    65    80.00000  120.45000
   67    69    74    60.00000  121.09900
   67    69    89    60.00000  126.00000
   67    70    76   100.00000  109.52600
   69    74    75    35.00000  130.70000
   69    74    80    80.00000  111.29200
   69    89    88    70.00000  110.00000
   74    80    88   120.00000   89.04400
   80    74    75    40.00000  122.38200
   80    88    89    80.00000  114.57700
   80    88    90    70.00000  122.29500
   88    90    91    35.00000  113.50000
   88    90    92    35.00000  113.50000
   89    69    74    70.00000  111.00000
   90    88    89    75.00000  125.31200
   92    90    91    35.00000  109.00000
   70    67    69    65.00000  124.33800
   70    76    81   110.00000  106.71400
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    70.00000  119.18700
   38    45    68    70.00000  119.18700
   40    38    39    33.00000  107.80000
   45    38    39    50.00000  106.41000
   45    38    40    50.00000  106.41000
   45    50    51    45.00000  112.84900
   45    50    55    70.00000  119.29800
   45    68    66    70.00000  119.29800
   45    68    71    70.00000  116.21300
   50    55    56    35.00000  120.00000
   50    55    62    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    62    63    35.00000  120.00000
   55    62    66    63.00000  120.00000
   62    55    56    35.00000  120.00000
   62    66    68    63.00000  120.00000
   62    66    85    70.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    71    70.00000  120.00000
   66    85    77    70.00000  112.17500
   66    85    86    35.00000  109.50000
   66    85    87    35.00000  109.50000
   68    45    50    70.00000  123.81700
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    77    70.00000  112.17500
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    85    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   79    77    78    33.00000  107.80000
   85    66    68    70.00000  120.00000
   85    77    78    37.50000  110.70000
   85    77    79    37.50000  110.70000
   87    85    86    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    54   0.56750  1.0 1.0
   29    33    57    54  -0.07550 -1.0 2.0
   29    33    57    54   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.00000  1.0 1.0
   33    38    45    68   0.00000  1.0 1.0
   37    33    57    54   0.56750  1.0 1.0
   37    33    57    54  -0.07550 -1.0 2.0
   37    33    57    54   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    48    54    57   0.01700  1.0 1.0
   41    48    54    57  -0.23550 -1.0 2.0
   41    48    54    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    64  -0.42300  1.0 1.0
   46    52    60    64  -0.07000 -1.0 2.0
   46    52    60    64   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   52    48    54    57   0.25150  1.0 1.0
   52    48    54    57  -1.17200 -1.0 2.0
   52    48    54    57   0.53050  1.0 3.0
   52    60    64    65   3.04450 -1.0 2.0
   52    60    64    67   1.49850  1.0 1.0
   52    60    64    67   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    64   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    64  -0.43950  1.0 1.0
   48    52    60    64  -0.08100 -1.0 2.0
   48    52    60    64   0.03350  1.0 3.0
   48    54   -57    33  -0.25000 -1.0 2.0
   48    54   -57    33  -0.01800  1.0 3.0
   48    54    57    58   0.32350  1.0 3.0
   48    54    57    59   0.32350  1.0 3.0
   49    48    54    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   0.56750  1.0 1.0
   57    33    38    45  -0.07550 -1.0 2.0
   57    33    38    45   0.20000  1.0 3.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    54   0.00000  1.0 1.0
   60    64    67    69   1.50000 -1.0 2.0
   60    64    67    70   1.50000 -1.0 2.0
   61    60    64    65   2.45000 -1.0 2.0
   61    60    64    67   2.56700 -1.0 2.0
   64    67    69    74   0.30050 -1.0 2.0
   64    67    69    74   0.16600  1.0 3.0
   64    67    69    89   0.30050 -1.0 2.0
   64    67    69    89   0.16600  1.0 3.0
   64    67    70    76   6.00000 -1.0 2.0
   65    64    67    69   1.00000 -1.0 2.0
   65    64    67    70   1.00000 -1.0 2.0
   67    69    74    75   3.62500 -1.0 2.0
   67    69    74    80   3.62500 -1.0 2.0
   67    69    89    88   3.62500 -1.0 2.0
   67    70    76    81   1.50000 -1.0 2.0
   69    67    70    76   6.00000 -1.0 2.0
   69    74   -80    88   3.62500 -1.0 2.0
   74    69   -89    88   2.40000 -1.0 2.0
   74    80   -88    89   3.62500 -1.0 2.0
   74    80    88    90   3.62500 -1.0 2.0
   75    74    80    88   3.62500 -1.0 2.0
   80    88   -89    69   3.62500 -1.0 2.0
   80    88    90    91   0.47600 -1.0 2.0
   80    88    90    92   0.47600 -1.0 2.0
   89    69    74    75   3.62500 -1.0 2.0
   89    69   -74    80   3.62500 -1.0 2.0
   89    88    90    91   1.75000 -1.0 2.0
   89    88    90    92   1.75000 -1.0 2.0
   90    88    89    69   3.62500 -1.0 2.0
   70    67    69    74   1.02250 -1.0 2.0
   70    67    69    89   1.02250 -1.0 2.0
   70    76    81    82   0.37500  1.0 3.0
   70    76    81    83   0.37500  1.0 3.0
   70    76    81    84   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    54   0.44750  1.0 1.0
   38    33    57    54  -0.17800 -1.0 2.0
   38    33    57    54   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   3.62500 -1.0 2.0
   38    45    50    55   3.62500 -1.0 2.0
   38    45    68    66   3.62500 -1.0 2.0
   38    45    68    71   3.62500 -1.0 2.0
   39    38    45    50   0.00000  1.0 1.0
   39    38    45    68   0.00000  1.0 1.0
   40    38    45    50   0.00000  1.0 1.0
   40    38    45    68   0.00000  1.0 1.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50    55    62   3.62500 -1.0 2.0
   45    68    71    72   0.00000  1.0 1.0
   45    68    71    73   0.00000  1.0 1.0
   45    68    71    77   0.29300  1.0 1.0
   45    68    71    77  -1.19700 -1.0 2.0
   45    68    71    77   0.60900  1.0 3.0
   50    45    68    66   3.62500 -1.0 2.0
   50    45    68    71   3.62500 -1.0 2.0
   50    55    62    63   3.62500 -1.0 2.0
   50    55   -62    66   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    62   3.62500 -1.0 2.0
   55    62    66    68   3.62500 -1.0 2.0
   55    62    66    85   3.62500 -1.0 2.0
   56    55    62    63   3.62500 -1.0 2.0
   56    55    62    66   3.62500 -1.0 2.0
   62    66   -68    45   3.62500 -1.0 2.0
   62    66    68    71   3.62500 -1.0 2.0
   62    66    85    77   0.04150 -1.0 2.0
   62    66    85    86   0.00000  1.0 1.0
   62    66    85    87   0.00000  1.0 1.0
   63    62    66    68   3.62500 -1.0 2.0
   63    62    66    85   3.62500 -1.0 2.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    73   0.00000  1.0 1.0
   66    68   -71    77   0.04150 -1.0 2.0
   68    45    50    51   3.62500 -1.0 2.0
   68    45   -50    55   3.62500 -1.0 2.0
   68    66   -85    77   0.04150 -1.0 2.0
   68    66    85    86   0.00000  1.0 1.0
   68    66    85    87   0.00000  1.0 1.0
   68    71    77    78   0.43200  1.0 3.0
   68    71    77    79   0.43200  1.0 3.0
   68    71   -77    85  -0.03700  1.0 1.0
   68    71   -77    85   0.37200 -1.0 2.0
   68    71   -77    85  -0.47300  1.0 3.0
   71    77   -85    66  -0.03700  1.0 1.0
   71    77   -85    66   0.37200 -1.0 2.0
   71    77   -85    66  -0.47300  1.0 3.0
   71    77    85    86   0.15000  1.0 3.0
   71    77    85    87   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    85   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    85   0.15000  1.0 3.0
   78    77    85    66   0.43200  1.0 3.0
   78    77    85    86   0.15000  1.0 3.0
   78    77    85    87   0.15000  1.0 3.0
   79    77    85    66   0.43200  1.0 3.0
   79    77    85    86   0.15000  1.0 3.0
   79    77    85    87   0.15000  1.0 3.0
   85    66    68    45   3.62500 -1.0 2.0
   85    66   -68    71   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    64    60    52   1.00000 -1.0 2.0
   60    67    64    65  10.50000 -1.0 2.0
   64    69    67    70  10.50000 -1.0 2.0
   74    89    69    67   4.00000 -1.0 2.0
   80    75    74    69   1.10000 -1.0 2.0
   89    90    88    80   4.00000 -1.0 2.0
   92    88    90    91   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   50    68    45    38   4.00000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   62    56    55    50   1.10000 -1.0 2.0
   66    63    62    55   1.10000 -1.0 2.0
   68    85    66    62   4.00000 -1.0 2.0
   66    71    68    45   4.00000 -1.0 2.0
END
