* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    231     458
    1     0 S   NP   _N1_     1    28.79638    96.69477   -21.89502
    2     1 S   H    _HN1     2     1.02836    41.91626   169.39902
    3     1 S   H    _H1_     3     1.02777    88.14443   -70.83110
    4     1 S   H    _H2_     4     1.02961    79.22667    38.22341
    5     1 S   CT   _CA1     5     1.50115   151.72626   151.47734
    6     5 S   HC   _HA1     6     1.09575   105.23999    71.83105
    7     5 S   CO3  _C1_     7     1.53801   112.37616   -48.36777
    8     7 S   O2Z  _O11     8     1.26359   115.01177   -43.74103
    9     7 S   O2Z  _O12     9     1.26244   114.91147   135.42940
   10     5 S   CT   _CB1    10     1.53103   107.43058  -170.26766
   11    10 S   HC   HB11    11     1.09821   109.36223   -50.88773
   12    10 S   HC   HB12    12     1.09821   110.38847    65.66524
   13    10 S   CT   _CG1    13     1.53002   112.67048  -172.02484
   14    13 S   HC   HG11    14     1.09600   110.35003   -62.66116
   15    13 S   HC   HG12    15     1.09644   110.06428    56.53202
   16    13 S   C    _CD1    16     1.51828   112.34863   176.86893
   17    16 S   O    _OE1    17     1.22714   123.25116    -6.19195
   18    16 S   N    _N2_    18     1.38608   111.57573   174.18881
   19    18 S   H    _HN2    19     1.01573   119.01123     1.60937
   20    18 S   CT1  _CA2    20     1.46283   123.53509  -178.47916
   21    20 S   HC   _HA2    21     1.09731   109.43442    -8.15305
   22    20 S   C    _C2_    22     1.53440   108.29078  -123.81843
   23    22 S   O    _O2_    23     1.23009   122.31381  -145.32681
   24    20 S   CT   _CB2    32     1.53416   111.23543   113.88193
   25    24 S   HC   HB21    33     1.09588   109.69229    55.23886
   26    24 S   HC   HB22    34     1.09479   110.42631   174.28166
   27    22 S   N    _N3_    24     1.38540   113.37483    42.02437
   28    27 S   H    _HN3    25     1.01514   118.89321    -0.61866
   29    24 S   S    _SG2    35     1.82712   111.45359   -65.96292
   30    27 S   CT   _CA3    26     1.45446   123.48807   175.15447
   31    30 S   HC   HA31    27     1.09520   109.30313    23.41403
   32    30 S   HC   HA32    28     1.09498   107.11392   140.41962
   33    29 S   CT   _C18    36     1.85479    99.90634   158.72597
   34    33 S   HC   _H4_    37     1.09888   104.67539   -54.65645
   35    30 S   CO3  _C3_    29     1.52914   113.03335  -100.10934
   36    35 S   O2Z  _O31    30     1.26407   115.36255   -45.78316
   37    35 S   O2Z  _O32    31     1.26349   115.01348   135.13971
   38    33 S   CM   _C17    38     1.51785   106.76737  -168.62816
   39    38 S   HC   _H24    39     1.08855   116.88654   -69.72839
   40    33 S   CT   _C19    74     1.57347   114.32163    61.98314
   41    40 S   OM   _O35    75     1.32613   110.35611    65.27092
   42    40 S   HC   _H5_    76     1.10021   105.08400   -64.24693
   43    38 S   CM   _C16    40     1.34257   123.59486   110.32154
   44    43 S   HC   _H23    41     1.08711   119.51279    -0.16071
   45    40 S   CT   _C20    77     1.56013   109.50087  -175.99454
   46    45 S   HC   _H25    78     1.09958   111.54402   -71.20191
   47    45 S   HC   _H26    79     1.09885   108.49229    45.47586
   48    43 S   CM   _C15    42     1.44578   123.13483  -179.80517
   49    48 S   HC   _H22    43     1.08777   116.92873    -1.53200
   50    45 S   CT   _C21    80     1.53887   113.37218   165.05745
   51    50 S   HC   _H27    81     1.09642   110.23210    61.77129
   52    50 S   HC   _H28    82     1.09693   109.42281   -55.64010
   53    48 S   CM   _C14    44     1.34222   122.94927   178.23542
   54    53 S   HC   _H21    45     1.08580   119.23743    -0.00000
   55    50 S   CT   _C22    83     1.52683   111.16362  -176.82559
   56    55 S   HC   _H29    84     1.09721   109.41826    57.87492
   57    55 S   HC   _H30    85     1.09721   109.32890   -59.29128
   58    53 S   CM   _C13    46     1.44771   122.73859  -179.89532
   59    58 S   HC   _H20    47     1.08954   115.70914    -1.15318
   60    55 S   CO3  _C23    86     1.53199   115.60307   179.17861
   61    60 S   O2Z  _O34    87     1.26573   114.00893   178.44204
   62    60 S   O2Z  _O33    88     1.26123   116.79353    -1.70663
   63    58 S   CM   _C12    48     1.34288   127.50268   178.85876
   64    63 S   HC   _H19    49     1.08951   116.78257   179.90309
   65    63 S   CM   _C11    50     1.44669   127.49497    -0.31027
   66    65 S   HC   _H18    51     1.08527   118.33149    -0.30132
   67    65 S   CM   _C10    52     1.34229   122.83138   179.96044
   68    67 S   HC   _H17    53     1.08811   119.90354    -0.28939
   69    67 S   CT   _C9_    54     1.50165   123.66939   179.78878
   70    69 S   HC   _H3_    55     1.09538   111.06955     5.82635
   71    69 S   CT   _C8_    56     1.53483   112.74845  -118.69764
   72    71 S   HC   _H15    57     1.09867   109.19331   -60.76895
   73    71 S   HC   _H16    58     1.09816   108.86414  -174.73687
   74    69 S   OH   _O36    72     1.42870   107.04395   122.11346
   75    74 S   HO   _H31    73     0.97233   107.46153  -177.45055
   76    71 S   CT   _C7_    59     1.53214   115.57119    62.06837
   77    76 S   HC   _H13    60     1.09623   110.22085   -61.01464
   78    76 S   HC   _H14    61     1.09737   107.88944  -176.71336
   79    76 S   CT   _C6_    62     1.53014   113.31545    62.53897
   80    79 S   HC   _H11    63     1.09670   109.56456    53.39598
   81    79 S   HC   _H12    64     1.09563   110.13465   -64.35325
   82    79 S   CT   _C5_    65     1.52926   111.20362   174.60951
   83    82 S   HC   _H9_    66     1.09623   109.84956   -58.59041
   84    82 S   HC   _H10    67     1.09625   109.89247    59.16555
   85    82 S   CT   _C4_    68     1.52022   111.50370  -179.61336
   86    85 S   HC   _H6_    69     1.09467   110.99898   -61.36959
   87    85 S   HC   _H7_    70     1.09465   111.04001    59.19690
   88    85 S   HC   _H8_    71     1.09428   110.19983   178.84326
  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   9   5   4   3
  13   7   2   1   1  10   4  10   5   4   6   3   9   5   4   6
   3   8   5   4   6   3   5   4   3   6   3   2   1   1   6   3
   7   3   9   4  10   6  11   6   5   2   1   9   5   4   9   5
   4   6   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    53    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    50    51    52    55    43  
   42    45    46    47    50  
   45    46    47    50  
   44    48    49    53    54    58  
   48    49    53  
   46    47    50    51    52    55    56    57    60  
   47    50    51    52    55  
   50    51    52    55  
   49    53    54    58    59    63  
   53    54    58  
   51    52    55    56    57    60    61    62  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    63    64    65  
   58    59    63  
   56    57    60    61    62  
   57    60    61    62  
   60    61    62  
   59    63    64    65    66    67  
   63    64    65  
   61    62  
   62  
    0  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70    71    74  
   67    68    69  
   68    69    70    71    72    73    76    74    75  
   69    70    71    74  
   70    71    72    73    76    77    78    79    74    75  
   71    72    73    76    74    75  
   72    73    76    77    78    79    80    81    82    74    75  
   73    76    77    78    79    74  
   76    77    78    79    74  
   75    76  
    0  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   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    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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    48   380.000  1.444
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    54   340.000  1.080
   53    58   380.000  1.444
   58    59   340.000  1.080
   58    63   549.000  1.340
   63    64   340.000  1.080
   63    65   380.000  1.444
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   340.000  1.080
   67    69   317.000  1.510
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   74    75   553.000  0.945
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    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   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    48    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    48    49    35.00000  120.00000
   43    48    53    70.00000  123.01800
   48    43    44    35.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    58    70.00000  123.01800
   53    48    49    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    63    70.00000  123.01800
   58    53    54    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    65    70.00000  123.01800
   63    58    59    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  123.01800
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    70.00000  124.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  109.50000
   67    69    71    70.00000  112.02700
   67    69    74    90.00000  110.39200
   69    67    68    35.00000  117.00000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    76    58.35000  112.70000
   69    74    75    55.00000  108.50000
   71    69    70    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    58.35000  112.70000
   42    40    41    45.00000  125.66300
   45    40    41    50.00000  109.50000
   45    40    42    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    55    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    70.00000  109.69300
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    61    70.00000  117.00000
   55    60    62    70.00000  117.00000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   62    60    61    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    50   0.56750  1.0 1.0
   33    40    45    50  -0.07550 -1.0 2.0
   33    40    45    50   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.34400  1.0 1.0
   38    33    40    45   0.09450 -1.0 2.0
   38    33    40    45   0.11100  1.0 3.0
   38    43    48    49  -0.18600  1.0 3.0
   38    43    48    53   0.28850  1.0 1.0
   38    43    48    53   2.61350 -1.0 2.0
   38    43    48    53   0.78400  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    53    54   7.00000 -1.0 2.0
   43    48    53    58   7.00000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    53  -0.18600  1.0 3.0
   48    53    58    59  -0.18600  1.0 3.0
   48    53    58    63   0.28850  1.0 1.0
   48    53    58    63   2.61350 -1.0 2.0
   48    53    58    63   0.78400  1.0 3.0
   49    48    53    54   7.00000 -1.0 2.0
   49    48    53    58   7.00000 -1.0 2.0
   53    58    63    64   7.00000 -1.0 2.0
   53    58    63    65   7.00000 -1.0 2.0
   54    53    58    59   0.00000  1.0 1.0
   54    53    58    63  -0.18600  1.0 3.0
   58    63    65    66  -0.18600  1.0 3.0
   58    63    65    67   0.28850  1.0 1.0
   58    63    65    67   2.61350 -1.0 2.0
   58    63    65    67   0.78400  1.0 3.0
   59    58    63    64   7.00000 -1.0 2.0
   59    58    63    65   7.00000 -1.0 2.0
   63    65    67    68   7.00000 -1.0 2.0
   63    65    67    69   7.00000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67  -0.18600  1.0 3.0
   65    67    69    70   0.00000  1.0 1.0
   65    67    69    71   0.09850  1.0 1.0
   65    67    69    71   0.15250 -1.0 2.0
   65    67    69    71  -0.50650  1.0 3.0
   65    67    69    74   0.67800  1.0 1.0
   65    67    69    74   0.47050 -1.0 2.0
   65    67    69    74  -0.62500  1.0 3.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    69   7.00000 -1.0 2.0
   67    69    71    72   0.15000  1.0 3.0
   67    69    71    73   0.15000  1.0 3.0
   67    69    71    76   0.34400  1.0 1.0
   67    69    71    76   0.09450 -1.0 2.0
   67    69    71    76   0.11100  1.0 3.0
   67    69    74    75  -0.07800  1.0 1.0
   67    69    74    75  -0.21500 -1.0 2.0
   67    69    74    75  -0.03150  1.0 3.0
   68    67    69    70   0.33100  1.0 3.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    74   0.00000  1.0 1.0
   69    71    76    77   0.15000  1.0 3.0
   69    71    76    78   0.15000  1.0 3.0
   69    71    76    79   0.56750  1.0 1.0
   69    71    76    79  -0.07550 -1.0 2.0
   69    71    76    79   0.20000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    76   0.15000  1.0 3.0
   70    69    74    75   0.19450  1.0 3.0
   71    69    74    75  -0.11600  1.0 1.0
   71    69    74    75  -0.09450 -1.0 2.0
   71    69    74    75   0.21250  1.0 3.0
   71    76    79    80   0.15000  1.0 3.0
   71    76    79    81   0.15000  1.0 3.0
   71    76    79    82   0.56750  1.0 1.0
   71    76    79    82  -0.07550 -1.0 2.0
   71    76    79    82   0.20000  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   74    69    71    72   0.23400  1.0 3.0
   74    69    71    73   0.23400  1.0 3.0
   74    69    71    76   0.86500  1.0 1.0
   74    69    71    76  -0.17500 -1.0 2.0
   74    69    71    76   0.20800  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    50    51   0.15000  1.0 3.0
   40    45    50    52   0.15000  1.0 3.0
   40    45    50    55   0.56750  1.0 1.0
   40    45    50    55  -0.07550 -1.0 2.0
   40    45    50    55   0.20000  1.0 3.0
   41    40    45    46   0.23400  1.0 3.0
   41    40    45    47   0.23400  1.0 3.0
   41    40    45    50   0.62750  1.0 1.0
   41    40    45    50  -0.30950 -1.0 2.0
   41    40    45    50   0.27300  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    50   0.15000  1.0 3.0
   45    50    55    56   0.15000  1.0 3.0
   45    50    55    57   0.15000  1.0 3.0
   45    50    55    60  -1.63150  1.0 1.0
   45    50    55    60  -0.43550 -1.0 2.0
   45    50    55    60   0.24500  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    55   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    55   0.15000  1.0 3.0
   50    55    60    61   0.41150 -1.0 2.0
   50    55    60    62   0.41150 -1.0 2.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60  -0.11250  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  -0.11250  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    62   0.00000  1.0 1.0
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
   33    39    38    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   43    49    48    53  15.00000 -1.0 2.0
   58    54    53    48  15.00000 -1.0 2.0
   53    59    58    63  15.00000 -1.0 2.0
   65    64    63    58  15.00000 -1.0 2.0
   63    66    65    67  15.00000 -1.0 2.0
   69    68    67    65  15.00000 -1.0 2.0
   61    55    60    62  10.50000 -1.0 2.0
END
