* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    162    240     479
    1     0 S   NP   _N1_     1    30.36973    92.54723   -16.96994
    2     1 S   H    _HN1     2     1.02821    22.80747    88.21579
    3     1 S   H    _H1_     3     1.02773   102.06846   -19.55237
    4     1 S   H    _H2_     4     1.03128   128.99085   105.95353
    5     1 S   CT   _CA1     5     1.50257    94.09543  -133.29072
    6     5 S   HC   _HA1     6     1.09579   105.02634    46.60263
    7     5 S   CO3  _C1_     7     1.53922   113.06995   -73.08081
    8     7 S   O2Z  _O11     8     1.26394   115.28278   -32.18797
    9     7 S   O2Z  _O12     9     1.26253   114.92990   146.96107
   10     5 S   CT   _CB1    10     1.53015   107.10090   164.33167
   11    10 S   HC   HB11    11     1.09862   109.32619   -49.10379
   12    10 S   HC   HB12    12     1.09707   110.22025    66.91849
   13    10 S   CT   _CG1    13     1.52991   113.26267  -170.40714
   14    13 S   HC   HG11    14     1.09547   111.21335   -69.42851
   15    13 S   HC   HG12    15     1.09593   110.84344    50.12941
   16    13 S   C    _CD1    16     1.51393   109.88657   169.46175
   17    16 S   O    _OE1    17     1.22823   121.63553   -97.35516
   18    16 S   N    _N2_    18     1.38392   112.90816    80.64869
   19    18 S   H    _HN2    19     1.01552   119.19333     5.12965
   20    18 S   CT1  _CA2    20     1.46222   123.24603  -175.02649
   21    20 S   HC   _HA2    21     1.09714   109.30471    -1.56398
   22    20 S   C    _C2_    22     1.53456   109.46319  -117.76445
   23    22 S   O    _O2_    23     1.23065   121.87101  -150.28302
   24    20 S   CT   _CB2    32     1.53403   111.16999   119.94832
   25    24 S   HC   HB21    33     1.09468   109.29507    59.86491
   26    24 S   HC   HB22    34     1.09492   110.62072   178.63084
   27    22 S   N    _N3_    24     1.38370   113.79353    37.19812
   28    27 S   H    _HN3    25     1.01502   118.99873    -1.25865
   29    24 S   S    _SG2    35     1.82782   112.00451   -60.62022
   30    27 S   CT   _CA3    26     1.45487   123.58619   175.13707
   31    30 S   HC   HA31    27     1.09511   109.54200    19.04964
   32    30 S   HC   HA32    28     1.09505   107.06992   136.07125
   33    29 S   CT   _C9_    36     1.85008    99.22345   169.10706
   34    33 S   HC   _H3_    37     1.09452   106.88659   -24.36273
   35    30 S   CO3  _C3_    29     1.52906   112.79585  -104.62532
   36    35 S   O2Z  _O31    30     1.26429   115.27959   -48.64193
   37    35 S   O2Z  _O32    31     1.26332   115.13753   132.16934
   38    33 S   CT   _C8_    38     1.54209   107.38465    92.80522
   39    38 S   HC   _H15    39     1.09834   109.45498   -56.13641
   40    38 S   HC   _H16    40     1.09809   109.99248    60.29516
   41    33 S   CT   _C10    54     1.54855   111.72615  -141.77707
   42    41 S   HC   _H4_    55     1.09638   108.44827   177.68235
   43    38 S   CT   _C7_    41     1.53508   115.47365  -177.64117
   44    43 S   HC   _H13    42     1.09747   107.85834   179.87489
   45    43 S   HC   _H14    43     1.09580   110.22406   -64.67737
   46    41 S   CM   _C11    56     1.50801   113.66066    56.91404
   47    46 S   HC   _H17    57     1.08691   116.72532   -79.81765
   48    41 S   OH   _O36    90     1.42689   110.59012   -66.28922
   49    48 S   HO   _H34    91     0.97254   107.59540  -179.33471
   50    43 S   CT   _C6_    44     1.52940   113.34149    59.06600
   51    50 S   HC   _H11    45     1.09520   109.95405   -64.73200
   52    50 S   HC   _H12    46     1.09652   109.55623    53.07399
   53    46 S   CM   _C12    58     1.34278   123.74760    99.34025
   54    53 S   HC   _H18    59     1.08844   118.58074     0.18767
   55    50 S   CT   _C5_    47     1.52845   111.48260   174.47047
   56    55 S   HC   _H9_    48     1.09614   109.92175   -59.31659
   57    55 S   HC   _H10    49     1.09619   109.86829    58.50814
   58    53 S   CT   _C13    60     1.50825   126.11024  -178.86478
   59    58 S   HC   _H5_    61     1.09644   107.56097  -125.70229
   60    55 S   CT   _C4_    50     1.52067   111.32417   179.59074
   61    60 S   HC   _H6_    51     1.09477   110.99816   -60.25194
   62    60 S   HC   _H7_    52     1.09474   110.99513    60.20718
   63    60 S   HC   _H8_    53     1.09444   110.27204   179.97202
   64    58 S   CT   _C14    62     1.54180   112.48651   115.31477
   65    64 S   HC   _H19    63     1.09441   108.87021    62.48211
   66    64 S   HC   _H20    64     1.09749   108.86086   178.25808
   67    58 S   OH   _O35    88     1.42644   111.31717    -9.84337
   68    67 S   HO   _H33    89     0.97576   107.95927   160.99711
   69    64 S   CM   _C15    65     1.50610   113.71523   -62.58250
   70    69 S   HC   _H21    66     1.08833   115.33674   -59.79851
   71    69 S   CM   _C16    67     1.34186   127.80880   120.67264
   72    71 S   HC   _H22    68     1.08941   117.07365  -179.91607
   73    71 S   CT   _C17    69     1.49971   127.97229     1.21192
   74    73 S   HC   _H23    70     1.09451   112.00657    16.20272
   75    73 S   HC   _H24    71     1.09576   108.53535   131.33718
   76    73 S   CM   _C18    72     1.50039   111.62885  -105.52576
   77    76 S   HC   _H25    73     1.08834   115.51387    81.96920
   78    76 S   CM   _C19    74     1.34225   126.96683   -99.50824
   79    78 S   HC   _H26    75     1.08814   117.66419  -178.42530
   80    78 S   CT   _C20    76     1.50175   126.72357     3.04588
   81    80 S   HC   _H27    77     1.09428   111.20989    17.34241
   82    80 S   HC   _H28    78     1.09698   108.12843   133.11228
   83    80 S   CT   _C21    79     1.53072   111.09435  -106.54300
   84    83 S   HC   _H29    80     1.09716   110.13479    56.14887
   85    83 S   HC   _H30    81     1.09769   109.11664   -60.47090
   86    83 S   CT   _C22    82     1.52623   112.26963   179.20746
   87    86 S   HC   _H31    83     1.09749   108.31962   168.65714
   88    86 S   HC   _H32    84     1.09709   109.55005    52.49640
   89    86 S   CO3  _C23    85     1.53290   116.73018   -71.62106
   90    89 S   O2Z  _O34    86     1.26154   116.52525   -15.29726
   91    89 S   O2Z  _O33    87     1.26487   114.16073   165.36543
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  13   6   5   9   5   9   5   4   9   4   2
   1   9   5   4   9   4   6   5   4   9   6   3   2   1   1   9
   5   4   2   1   7   3   7   4   7   4   3   7   3   8   4   9
   5   4   8   5   4   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    41    42    46    47    53    48    49  
   38    39    40    43    41    42    46    48  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    52    55    41    42    46    48  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    53    54    58    48    49    43  
   46    47    53    48    49  
   44    45    50    51    52    55    56    57    60  
   45    50    51    52    55  
   50    51    52    55  
   47    53    54    58    59    64    67    48    49  
   53    54    58    48  
   49    53  
    0  
   51    52    55    56    57    60    61    62    63  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    64    65    66    69    67    68  
   58    59    64    67  
   56    57    60    61    62    63  
   57    60    61    62    63  
   60    61    62    63  
   59    64    65    66    69    70    71    67    68  
   64    65    66    69    67    68  
   61    62    63  
   62    63  
   63  
    0  
   65    66    69    70    71    72    73    67    68  
   66    69    70    71    67  
   69    70    71    67  
   68    69  
    0  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76    77    78    79    80  
   75    76    77    78  
   76    77    78  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   41    42   340.000  1.090
   41    46   317.000  1.510
   41    48   320.000  1.410
   46    47   340.000  1.080
   46    53   549.000  1.340
   53    54   340.000  1.080
   53    58   317.000  1.510
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   317.000  1.510
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   78    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
   67    68   553.000  0.945
   48    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    70.00000  112.02700
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    55    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    35.00000  117.00000
   41    46    53    70.00000  124.00000
   41    48    49    55.00000  108.50000
   46    41    42    35.00000  109.50000
   46    53    54    35.00000  120.00000
   46    53    58    70.00000  124.00000
   53    46    47    35.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    64    70.00000  112.02700
   53    58    67    90.00000  110.39200
   58    53    54    35.00000  117.00000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    69    70.00000  112.02700
   58    67    68    55.00000  108.50000
   64    58    59    37.50000  110.70000
   64    69    70    35.00000  117.00000
   64    69    71    70.00000  124.00000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    71    72    35.00000  120.00000
   69    71    73    70.00000  124.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    70.00000  110.12100
   73    71    72    35.00000  117.00000
   73    76    77    35.00000  117.00000
   73    76    78    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    35.00000  120.00000
   76    78    80    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    70.00000  112.02700
   80    78    79    35.00000  117.00000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    70.00000  109.69300
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    70.00000  117.00000
   86    89    91    70.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   91    89    90    80.00000  126.00000
   67    58    59    35.00000  109.50000
   67    58    64    50.00000  109.50000
   48    41    42    35.00000  109.50000
   48    41    46    90.00000  110.39200
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.56750  1.0 1.0
   33    38    43    50  -0.07550 -1.0 2.0
   33    38    43    50   0.20000  1.0 3.0
   33    41    46    47   0.00000  1.0 1.0
   33    41    46    53   0.09850  1.0 1.0
   33    41    46    53   0.15250 -1.0 2.0
   33    41    46    53  -0.50650  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46   0.34400  1.0 1.0
   38    33    41    46   0.09450 -1.0 2.0
   38    33    41    46   0.11100  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.15000  1.0 3.0
   38    43    50    55   0.56750  1.0 1.0
   38    43    50    55  -0.07550 -1.0 2.0
   38    43    50    55   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    55    56   0.15000  1.0 3.0
   43    50    55    57   0.15000  1.0 3.0
   43    50    55    60   0.56750  1.0 1.0
   43    50    55    60  -0.07550 -1.0 2.0
   43    50    55    60   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    55   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    55   0.15000  1.0 3.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    63   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    46    53    54   7.00000 -1.0 2.0
   41    46    53    58   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    53   0.00000  1.0 1.0
   42    41    48    49   0.19450  1.0 3.0
   46    41    48    49  -0.07800  1.0 1.0
   46    41    48    49  -0.21500 -1.0 2.0
   46    41    48    49  -0.03150  1.0 3.0
   46    53    58    59   0.00000  1.0 1.0
   46    53    58    64   0.09850  1.0 1.0
   46    53    58    64   0.15250 -1.0 2.0
   46    53    58    64  -0.50650  1.0 3.0
   46    53    58    67   0.67800  1.0 1.0
   46    53    58    67   0.47050 -1.0 2.0
   46    53    58    67  -0.62500  1.0 3.0
   47    46    53    54   7.00000 -1.0 2.0
   47    46    53    58   7.00000 -1.0 2.0
   53    58    64    65   0.15000  1.0 3.0
   53    58    64    66   0.15000  1.0 3.0
   53    58    64    69   0.31000  1.0 1.0
   53    58    64    69   0.14700 -1.0 2.0
   53    58    64    69   0.07550  1.0 3.0
   53    58    67    68  -0.07800  1.0 1.0
   53    58    67    68  -0.21500 -1.0 2.0
   53    58    67    68  -0.03150  1.0 3.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    64   0.00000  1.0 1.0
   54    53    58    67   0.00000  1.0 1.0
   58    64    69    70   0.00000  1.0 1.0
   58    64    69    71   0.09850  1.0 1.0
   58    64    69    71   0.15250 -1.0 2.0
   58    64    69    71  -0.50650  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    69   0.15000  1.0 3.0
   59    58    67    68   0.19450  1.0 3.0
   64    58    67    68  -0.11600  1.0 1.0
   64    58    67    68  -0.09450 -1.0 2.0
   64    58    67    68   0.21250  1.0 3.0
   64    69    71    72   7.00000 -1.0 2.0
   64    69    71    73   7.00000 -1.0 2.0
   65    64    69    70   0.33100  1.0 3.0
   65    64    69    71   0.00000  1.0 1.0
   66    64    69    70   0.33100  1.0 3.0
   66    64    69    71   0.00000  1.0 1.0
   69    71    73    74   0.00000  1.0 1.0
   69    71    73    75   0.00000  1.0 1.0
   69    71    73    76  -0.28300  1.0 1.0
   69    71    73    76   0.26700 -1.0 2.0
   69    71    73    76  -0.63300  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    76    77   0.00000  1.0 1.0
   71    73    76    78  -0.28300  1.0 1.0
   71    73    76    78   0.26700 -1.0 2.0
   71    73    76    78  -0.63300  1.0 3.0
   72    71    73    74   0.33100  1.0 3.0
   72    71    73    75   0.33100  1.0 3.0
   72    71    73    76   0.00000  1.0 1.0
   73    76    78    79   7.00000 -1.0 2.0
   73    76    78    80   7.00000 -1.0 2.0
   74    73    76    77   0.33100  1.0 3.0
   74    73    76    78   0.00000  1.0 1.0
   75    73    76    77   0.33100  1.0 3.0
   75    73    76    78   0.00000  1.0 1.0
   76    78    80    81   0.00000  1.0 1.0
   76    78    80    82   0.00000  1.0 1.0
   76    78    80    83   0.09850  1.0 1.0
   76    78    80    83   0.15250 -1.0 2.0
   76    78    80    83  -0.50650  1.0 3.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    80   7.00000 -1.0 2.0
   78    80    83    84   0.15000  1.0 3.0
   78    80    83    85   0.15000  1.0 3.0
   78    80    83    86   0.34400  1.0 1.0
   78    80    83    86   0.09450 -1.0 2.0
   78    80    83    86   0.11100  1.0 3.0
   79    78    80    81   0.33100  1.0 3.0
   79    78    80    82   0.33100  1.0 3.0
   79    78    80    83   0.00000  1.0 1.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89  -1.63150  1.0 1.0
   80    83    86    89  -0.43550 -1.0 2.0
   80    83    86    89   0.24500  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   83    86    89    90   0.41150 -1.0 2.0
   83    86    89    91   0.41150 -1.0 2.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89  -0.11250  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89  -0.11250  1.0 3.0
   87    86    89    90   0.00000  1.0 1.0
   87    86    89    91   0.00000  1.0 1.0
   88    86    89    90   0.00000  1.0 1.0
   88    86    89    91   0.00000  1.0 1.0
   67    58    64    65   0.23400  1.0 3.0
   67    58    64    66   0.23400  1.0 3.0
   67    58    64    69   1.05650  1.0 1.0
   67    58    64    69   0.15600 -1.0 2.0
   67    58    64    69   0.53150  1.0 3.0
   48    41    46    47   0.00000  1.0 1.0
   48    41    46    53   0.67800  1.0 1.0
   48    41    46    53   0.47050 -1.0 2.0
   48    41    46    53  -0.62500  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    47    46    53  15.00000 -1.0 2.0
   58    54    53    46  15.00000 -1.0 2.0
   64    70    69    71  15.00000 -1.0 2.0
   73    72    71    69  15.00000 -1.0 2.0
   73    77    76    78  15.00000 -1.0 2.0
   80    79    78    76  15.00000 -1.0 2.0
   90    86    89    91  10.50000 -1.0 2.0
END
