* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    150    212     423
    1     0 S   NP   _N1_     1    28.79670    96.96014   -20.05215
    2     1 S   H    _HN1     2     1.02958    77.95153    11.98027
    3     1 S   H    _H1_     3     1.02835    47.62074   138.93741
    4     1 S   H    _H2_     4     1.02779    82.65622   -98.59593
    5     1 S   CT   _CA1     5     1.50117   158.01037   127.04588
    6     5 S   HC   _HA1     6     1.09570   105.25848    68.64977
    7     5 S   CO3  _C1_     7     1.53851   112.27289   -51.61489
    8     7 S   O2Z  _O11     8     1.26370   115.02802   -45.55085
    9     7 S   O2Z  _O12     9     1.26231   114.97216   133.60810
   10     5 S   CT   _CB1    10     1.53111   107.40837  -173.40358
   11    10 S   HC   HB11    11     1.09820   109.53701   -49.93459
   12    10 S   HC   HB12    12     1.09820   110.34531    66.69227
   13    10 S   CT   _CG1    13     1.52971   112.56539  -170.99641
   14    13 S   HC   HG11    14     1.09530   110.26538   -60.49218
   15    13 S   HC   HG12    15     1.09635   110.07810    58.61803
   16    13 S   C    _CD1    16     1.51824   112.33930   179.10781
   17    16 S   O    _OE1    17     1.22721   123.26429    -5.69877
   18    16 S   N    _N2_    18     1.38580   111.63634   174.44826
   19    18 S   H    _HN2    19     1.01652   118.90954     1.00755
   20    18 S   CT1  _CA2    20     1.46243   123.58824  -177.33105
   21    20 S   HC   _HA2    21     1.09725   109.42882    -3.33842
   22    20 S   C    _C2_    22     1.53391   108.76484  -119.30310
   23    22 S   O    _O2_    23     1.23043   122.10223  -146.07870
   24    20 S   CT   _CB2    32     1.53546   111.07207   118.45146
   25    24 S   HC   HB21    33     1.09336   109.22548    58.55953
   26    24 S   HC   HB22    34     1.09493   110.38297   177.01259
   27    22 S   N    _N3_    24     1.38465   113.54918    41.32533
   28    27 S   H    _HN3    25     1.01506   118.94874    -0.70165
   29    24 S   S    _SG2    35     1.82916   111.09402   -63.44496
   30    27 S   CT   _CA3    26     1.45451   123.46508   175.20617
   31    30 S   HC   HA31    27     1.09522   109.27300    23.94793
   32    30 S   HC   HA32    28     1.09498   107.11819   140.93529
   33    29 S   CT   _C19    36     1.85593   101.88197   157.84518
   34    30 S   CO3  _C3_    29     1.52914   113.06576   -99.56514
   35    34 S   O2Z  _O31    30     1.26406   115.37551   -45.88048
   36    34 S   O2Z  _O32    31     1.26354   115.01179   135.05446
   37    33 S   CT   _C12    37     1.54220   105.61527   177.51037
   38    37 S   HC   _H32    38     1.09548   112.46738   -59.05534
   39    37 S   HC   _H33    39     1.09523   112.30303    61.28835
   40    37 S   HC   _H34    40     1.09635   110.68136  -178.89624
   41    33 S   CT   _C16    41     1.55268   112.35074   -63.21948
   42    41 S   HC   _H42    42     1.09863   110.41290  -166.45805
   43    41 S   HC   _H43    43     1.09790   110.65835    78.76536
   44    33 S   CT   _C18    51     1.55799   111.69428    58.12944
   45    44 S   HC   _H46    52     1.09997   108.02502   178.88970
   46    44 S   HC   _H47    53     1.09872   109.39646   -67.18126
   47    41 S   CO4  _C6_    44     1.51382   116.68655   -42.84102
   48    47 S   O    _O17    45     1.22509   123.42865    99.16506
   49    44 S   CT   _C14    54     1.53562   116.93812    56.90672
   50    49 S   HC   _H38    55     1.09545   110.81870   -59.50740
   51    49 S   HC   _H39    56     1.09246   111.02937    57.93920
   52    47 S   OS   _O19    46     1.36128   110.71089   -81.24873
   53    49 S   CM   _C4_    57     1.50480   110.73323  -178.37647
   54    53 S   HC   _H21    58     1.08972   114.08022    79.41176
   55    52 S   CT   _C13    47     1.43119   115.10114   178.14882
   56    55 S   HC   _H35    48     1.09320   108.11471   179.33031
   57    55 S   HC   _H36    49     1.09420   110.42386    60.51928
   58    55 S   HC   _H37    50     1.09397   110.07747   -62.09724
   59    53 S   CM   _C5_    59     1.34752   127.77787  -101.08343
   60    59 S   CT   _C9_    60     1.50410   124.72952     1.31893
   61    60 S   HC   _H23    61     1.09449   110.51075   124.48810
   62    60 S   HC   _H24    62     1.09487   110.04696  -115.93941
   63    60 S   HC   _H25    63     1.09227   113.45820     4.82450
   64    59 S   CT   _C15    64     1.51523   119.89513  -178.03089
   65    64 S   HC   _H40    65     1.09775   109.32200   134.11573
   66    64 S   HC   _H41    66     1.09791   110.16972    18.99567
   67    64 S   CT   _C17    67     1.53123   112.58382  -103.22294
   68    67 S   HC   _H44    68     1.09605   110.19474    53.33914
   69    67 S   HC   _H45    69     1.09648   110.02134   -63.40181
   70    67 S   C3T  _C7_    70     1.49634   110.96159   177.14309
   71    70 S   HC   _H22    71     1.08306   112.58158    70.43464
   72    70 S   C3T  _C8_    72     1.51992   124.06064   -85.08778
   73    70 S   O3T  _O18    73     1.43538   114.34275  -151.82143
   74    72 S   CT   _C10    74     1.49640   121.78491     0.59873
   75    74 S   HC   _H26    75     1.09520   110.47476  -155.54998
   76    74 S   HC   _H27    76     1.09457   110.10937    85.18407
   77    74 S   HC   _H28    77     1.09383   112.78768   -35.71397
   78    72 S   CT   _C11    78     1.49701   118.41519   158.85045
   79    78 S   HC   _H29    79     1.09488   110.58470   143.60931
   80    78 S   HC   _H30    80     1.09528   111.97692    23.42638
   81    78 S   HC   _H31    81     1.09468   110.19181   -96.66670
  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  13   5   4   3
  17   2   1   1  11   4   3   2  10   5   4   9   5   4   6   2
   7   4   3   4  10   3   3   2   1   1  11   7   3   2   1   9
   5   4   8   5   4  11   4   9   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    47    44    45    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    47    48    52    44    45    46    49    50    51    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    44    45    46    49  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    47    48    52    55    44    45    46    49  
   43    47    48    52    44  
   47    48    52    44  
   45    46    49    50    51    53    54    59    47  
   46    49    50    51    53  
   49    50    51    53  
   48    52    55    56    57    58  
   52    55  
   50    51    53    54    59    60    64  
   51    53    54    59  
   53    54    59  
   55    56    57    58  
   54    59    60    61    62    63    64    65    66    67  
   59    60    64  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68    69    70  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    78  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    78  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.522
   47    48   570.000  1.229
   47    52   214.000  1.327
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   317.000  1.510
   53    54   340.000  1.080
   53    59   549.000  1.340
   59    60   317.000  1.510
   59    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   275.000  1.510
   70    71   340.000  1.088
   70    72   260.000  1.509
   70    73   335.000  1.432
   72    73   335.000  1.432
   72    74   275.000  1.510
   72    78   275.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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  111.63000
   29    33    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    47    63.00000  111.10000
   33    44    45    37.50000  110.70000
   33    44    46    37.50000  110.70000
   33    44    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    47    48    80.00000  120.40000
   41    47    52    81.00000  111.40000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    52    55    83.00000  116.90000
   52    47    48    83.00000  123.40000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    53    70.00000  112.02700
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    53    54    35.00000  117.00000
   49    53    59    70.00000  124.00000
   51    49    50    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    51    35.00000  109.50000
   53    59    60    70.00000  124.00000
   53    59    64    70.00000  124.00000
   59    53    54    35.00000  120.00000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    59    60    65.00000  117.92700
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.37300
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    40.00000  115.04500
   67    70    72    60.00000  120.94000
   67    70    73    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    45.00000  109.38400
   70    67    69    45.00000  109.38400
   70    72    73    15.00000   60.43100
   70    72    74    60.00000  120.94000
   70    72    78    60.00000  120.94000
   70    73    72    15.00000   59.14900
   72    70    71    37.50000  117.20000
   72    74    75    45.00000  109.38400
   72    74    76    45.00000  109.38400
   72    74    77    45.00000  109.38400
   72    78    79    45.00000  109.38400
   72    78    80    45.00000  109.38400
   72    78    81    45.00000  109.38400
   73    70    71    50.00000  114.27700
   73    70    72    15.00000   60.43100
   74    72    73    80.00000  116.47100
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    80.00000  116.47100
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    46   0.15000  1.0 3.0
   29    33    44    49   0.44750  1.0 1.0
   29    33    44    49  -0.17800 -1.0 2.0
   29    33    44    49   0.20200  1.0 3.0
   33    41    47    48   0.30150 -1.0 2.0
   33    41    47    52   0.36750  1.0 3.0
   33    44    49    50   0.15000  1.0 3.0
   33    44    49    51   0.15000  1.0 3.0
   33    44    49    53   0.34400  1.0 1.0
   33    44    49    53   0.09450 -1.0 2.0
   33    44    49    53   0.11100  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    47  -0.95700  1.0 1.0
   37    33    41    47  -0.18200 -1.0 2.0
   37    33    41    47   0.29450  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    46   0.15000  1.0 3.0
   37    33    44    49   0.56750  1.0 1.0
   37    33    44    49  -0.07550 -1.0 2.0
   37    33    44    49   0.20000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    46   0.15000  1.0 3.0
   41    33    44    49   0.56750  1.0 1.0
   41    33    44    49  -0.07550 -1.0 2.0
   41    33    44    49   0.20000  1.0 3.0
   41    47    52    55   1.63150  1.0 1.0
   41    47    52    55   2.92000 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    52   0.00000  1.0 1.0
   43    41    47    48   0.00000  1.0 1.0
   43    41    47    52   0.00000  1.0 1.0
   47    52    55    56   0.08050  1.0 3.0
   47    52    55    57   0.08050  1.0 3.0
   47    52    55    58   0.08050  1.0 3.0
   48    47    52    55   3.00000 -1.0 2.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    47  -0.95700  1.0 1.0
   44    33    41    47  -0.18200 -1.0 2.0
   44    33    41    47   0.29450  1.0 3.0
   44    49    53    54   0.00000  1.0 1.0
   44    49    53    59   0.09850  1.0 1.0
   44    49    53    59   0.15250 -1.0 2.0
   44    49    53    59  -0.50650  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    53   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    53   0.15000  1.0 3.0
   49    53    59    60   7.00000 -1.0 2.0
   49    53    59    64   7.00000 -1.0 2.0
   50    49    53    54   0.33100  1.0 3.0
   50    49    53    59   0.00000  1.0 1.0
   51    49    53    54   0.33100  1.0 3.0
   51    49    53    59   0.00000  1.0 1.0
   53    59    60    61   0.00000  1.0 1.0
   53    59    60    62   0.00000  1.0 1.0
   53    59    60    63   0.00000  1.0 1.0
   53    59    64    65   0.00000  1.0 1.0
   53    59    64    66   0.00000  1.0 1.0
   53    59    64    67   0.09850  1.0 1.0
   53    59    64    67   0.15250 -1.0 2.0
   53    59    64    67  -0.50650  1.0 3.0
   54    53    59    60   7.00000 -1.0 2.0
   54    53    59    64   7.00000 -1.0 2.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    70   0.34400  1.0 1.0
   59    64    67    70   0.09450 -1.0 2.0
   59    64    67    70   0.11100  1.0 3.0
   60    59    64    65   0.34800  1.0 3.0
   60    59    64    66   0.34800  1.0 3.0
   60    59    64    67   0.46850  1.0 1.0
   60    59    64    67   0.08550 -1.0 2.0
   60    59    64    67   0.09800  1.0 3.0
   64    59    60    61   0.34800  1.0 3.0
   64    59    60    62   0.34800  1.0 3.0
   64    59    60    63   0.34800  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.07850  1.0 1.0
   64    67    70    72  -0.03950 -1.0 2.0
   64    67    70    72   0.67350  1.0 3.0
   64    67    70    73   0.02550  1.0 1.0
   64    67    70    73  -0.02600 -1.0 2.0
   64    67    70    73   1.20400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70   -72    73   0.02550  1.0 1.0
   67    70   -72    73  -0.02600 -1.0 2.0
   67    70   -72    73   1.20400  1.0 3.0
   67    70    72    74   0.56750  1.0 1.0
   67    70    72    74  -0.07550 -1.0 2.0
   67    70    72    74   0.20000  1.0 3.0
   67    70    72    78   0.56750  1.0 1.0
   67    70    72    78  -0.07550 -1.0 2.0
   67    70    72    78   0.20000  1.0 3.0
   67    70   -73    72   0.06250  1.0 1.0
   67    70   -73    72  -0.01100 -1.0 2.0
   67    70   -73    72   0.28050  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.23400  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.23400  1.0 3.0
   70    72    74    75   0.15000  1.0 3.0
   70    72    74    76   0.15000  1.0 3.0
   70    72    74    77   0.15000  1.0 3.0
   70    72    78    79   0.15000  1.0 3.0
   70    72    78    80   0.15000  1.0 3.0
   70    72    78    81   0.15000  1.0 3.0
   71    70   -72    73   0.23400  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    78   0.15000  1.0 3.0
   71    70   -73    72   0.36800  1.0 3.0
   73    70   -72    74   0.02550  1.0 1.0
   73    70   -72    74  -0.02600 -1.0 2.0
   73    70   -72    74   1.20400  1.0 3.0
   73    70   -72    78   0.02550  1.0 1.0
   73    70   -72    78  -0.02600 -1.0 2.0
   73    70   -72    78   1.20400  1.0 3.0
   73    72    74    75   0.23400  1.0 3.0
   73    72    74    76   0.23400  1.0 3.0
   73    72    74    77   0.23400  1.0 3.0
   73    72    78    79   0.23400  1.0 3.0
   73    72    78    80   0.23400  1.0 3.0
   73    72    78    81   0.23400  1.0 3.0
   74    72   -73    70   0.06250  1.0 1.0
   74    72   -73    70  -0.01100 -1.0 2.0
   74    72   -73    70   0.28050  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    72   -73    70   0.06250  1.0 1.0
   78    72   -73    70  -0.01100 -1.0 2.0
   78    72   -73    70   0.28050  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   41    52    47    48  10.50000 -1.0 2.0
   49    54    53    59  15.00000 -1.0 2.0
   60    64    59    53  15.00000 -1.0 2.0
END
