* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    161    237     474
    1     0 S   NP   _N1_     1    29.69584    99.08821   -19.94622
    2     1 S   H    _HN1     2     1.02885    55.07949     6.64074
    3     1 S   H    _H1_     3     1.02893    61.67745   149.00381
    4     1 S   H    _H2_     4     1.02814    93.72807  -102.91506
    5     1 S   CT   _CA1     5     1.50276   154.21432    70.65610
    6     5 S   HC   _HA1     6     1.09679   104.82337   128.51595
    7     5 S   CO3  _C1_     7     1.54136   111.02068    11.11934
    8     7 S   O2Z  _O11     8     1.26131   116.06253   -91.33969
    9     7 S   O2Z  _O12     9     1.26422   114.20097    86.60765
   10     5 S   CT   _CB1    10     1.53114   107.11685  -115.38369
   11    10 S   HC   HB11    11     1.09846   109.51354   -48.89378
   12    10 S   HC   HB12    12     1.09765   110.71395    67.78320
   13    10 S   CT   _CG1    13     1.52938   112.09080  -169.45635
   14    13 S   HC   HG11    14     1.09395   110.71717   -64.88641
   15    13 S   HC   HG12    15     1.09656   109.57399    54.21649
   16    13 S   C    _CD1    16     1.51729   112.19827   174.69600
   17    16 S   O    _OE1    17     1.22750   123.16534    11.63593
   18    16 S   N    _N2_    18     1.38666   111.83671  -168.21180
   19    18 S   H    _HN2    19     1.01551   119.03608     0.92366
   20    18 S   CT1  _CA2    20     1.46244   123.35159   176.12142
   21    20 S   HC   _HA2    21     1.09739   109.25383     7.65724
   22    20 S   C    _C2_    22     1.53662   108.86499  -107.80676
   23    22 S   O    _O2_    23     1.23078   122.24625  -148.98394
   24    20 S   CT   _CB2    32     1.53260   111.60858   129.64859
   25    24 S   HC   HB21    33     1.09515   110.00407    58.65003
   26    24 S   HC   HB22    34     1.09525   110.44042   176.66387
   27    22 S   N    _N3_    24     1.38324   113.85824    38.61337
   28    27 S   H    _HN3    25     1.01537   119.61878    -3.58124
   29    24 S   S    _SG2    35     1.82849   111.37555   -64.66801
   30    27 S   CT   _CA3    26     1.45273   123.28507   177.23183
   31    30 S   HC   HA31    27     1.09551   107.58623   -62.34537
   32    30 S   HC   HA32    28     1.09554   107.90854    54.09887
   33    29 S   CT   _C13    36     1.86175   100.02784   122.48616
   34    33 S   HC   _H4_    37     1.09865   105.10996   -41.64280
   35    30 S   CO3  _C3_    29     1.52981   114.03258   175.97168
   36    35 S   O2Z  _O31    30     1.26388   116.07784    -2.27297
   37    35 S   O2Z  _O32    31     1.26430   114.41977   177.73480
   38    33 S   CT   _C14    38     1.56059   111.09813  -155.64948
   39    38 S   HC   _H5_    39     1.09445   109.08657  -179.63523
   40    33 S   CT   _C12    65     1.58098   111.17390    73.69337
   41    40 S   OM   _O36    66     1.32651   110.25660    69.31049
   42    40 S   HC   _H3_    67     1.10080   105.22701   -59.84379
   43    38 S   CM   _C15    40     1.50667   114.28082    59.01393
   44    43 S   HC   _H21    41     1.08912   116.02873   -87.00546
   45    38 S   OH   _O35    63     1.42948   112.22858   -63.02670
   46    45 S   HO   _H33    64     0.97547   106.60314   -37.76394
   47    40 S   CT   _C11    68     1.55958   109.78287  -171.71952
   48    47 S   HC   _H19    69     1.09640   108.87496    45.15937
   49    47 S   HC   _H20    70     1.09926   111.65459   -70.51846
   50    43 S   CM   _C16    42     1.34250   126.84966    95.90775
   51    50 S   HC   _H22    43     1.08940   116.77517   175.80157
   52    47 S   CM   _C10    71     1.50996   113.84245   168.12748
   53    52 S   HC   _H18    72     1.08879   115.31633    76.88372
   54    50 S   CT   _C17    44     1.50189   126.71600    -4.57877
   55    54 S   HC   _H23    45     1.09671   108.68250    95.89859
   56    54 S   HC   _H24    46     1.09399   111.68211   -21.15572
   57    52 S   CM   _C9_    73     1.34173   127.33840  -105.15531
   58    57 S   HC   _H17    74     1.08860   117.33333  -178.10101
   59    54 S   CM   _C18    47     1.50252   111.34806  -145.53288
   60    59 S   HC   _H25    48     1.08997   115.07680   -78.48693
   61    57 S   CT   _C8_    75     1.50065   127.20740     3.81408
   62    61 S   HC   _H15    76     1.09476   111.65402    17.41435
   63    61 S   HC   _H16    77     1.09733   107.43482   132.74102
   64    59 S   CM   _C19    49     1.34168   128.11658   101.13761
   65    64 S   HC   _H26    50     1.08955   116.84189  -179.39413
   66    61 S   CT   _C7_    78     1.53102   113.02252  -107.53109
   67    66 S   HC   _H13    79     1.09725   110.11339   -51.65073
   68    66 S   HC   _H14    80     1.09620   108.25646  -167.81357
   69    64 S   CT   _C20    51     1.50007   127.81469    -1.67000
   70    69 S   HC   _H27    52     1.09639   107.89519  -118.17989
   71    69 S   HC   _H28    53     1.09415   111.98034    -1.20512
   72    66 S   CT   _C6_    81     1.53130   112.84362    71.38302
   73    72 S   HC   _H11    82     1.09611   110.04348   -63.54800
   74    72 S   HC   _H12    83     1.09634   109.54116    53.99943
   75    69 S   CT   _C21    54     1.52984   111.17014   121.94233
   76    75 S   HC   _H29    55     1.09724   109.68017   -62.99307
   77    75 S   HC   _H30    56     1.09773   109.89169    53.97184
   78    72 S   CT   _C5_    84     1.52833   111.37425   175.16094
   79    78 S   HC   _H9_    85     1.09613   109.84794    60.05792
   80    78 S   HC   _H10    86     1.09592   109.94774   -57.72406
   81    75 S   CT   _C22    57     1.52534   111.25442   175.20033
   82    81 S   HC   _H31    58     1.09723   109.41310   -58.90306
   83    81 S   HC   _H32    59     1.09597   109.47481    58.27318
   84    78 S   CT   _C4_    87     1.52040   111.39130  -178.74399
   85    84 S   HC   _H6_    88     1.09480   110.98935    60.26993
   86    84 S   HC   _H7_    89     1.09467   111.00440   -60.23033
   87    84 S   HC   _H8_    90     1.09445   110.26408  -180.00000
   88    81 S   CO3  _C23    60     1.53149   115.22831   179.89721
   89    88 S   O2Z  _O34    61     1.26522   114.04064  -179.85873
   90    88 S   O2Z  _O33    62     1.26126   116.69301     0.07133
  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  12   6  10   5   4   9   4   2   1   7   4
   3   7   4   7   3   7   4   3   8   4   7   3   9   5   4   8
   4   9   5   4   9   5   4   9   5   4   8   5   4   6   5   4
   5   4   3   3   2   1   1   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    45    40    41    42    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    50    45    46    40    41    42    47    48    49    52  
   38    39    43    45    40    41    42    47  
   36    37  
   37  
    0  
   39    43    44    50    51    54    45    46    40    41    42    47  
   43    44    50    45    46    40  
   41    42    47    48    49    52    53    57    43    45  
   42    47    48    49    52  
   47    48    49    52  
   44    50    51    54    55    56    59    45    46  
   50    51    54    45  
   46    50  
    0  
   48    49    52    53    57    58    61  
   49    52    53    57  
   52    53    57  
   51    54    55    56    59    60    64  
   54    55    56    59  
   53    57    58    61    62    63    66  
   57    58    61  
   55    56    59    60    64    65    69  
   56    59    60    64  
   59    60    64  
   58    61    62    63    66    67    68    72  
   61    62    63    66  
   60    64    65    69    70    71    75  
   64    65    69  
   62    63    66    67    68    72    73    74    78  
   63    66    67    68    72  
   66    67    68    72  
   65    69    70    71    75    76    77    81  
   69    70    71    75  
   67    68    72    73    74    78    79    80    84  
   68    72    73    74    78  
   72    73    74    78  
   70    71    75    76    77    81    82    83    88  
   71    75    76    77    81  
   75    76    77    81  
   73    74    78    79    80    84    85    86    87  
   74    78    79    80    84  
   78    79    80    84  
   76    77    81    82    83    88    89    90  
   77    81    82    83    88  
   81    82    83    88  
   79    80    84    85    86    87  
   80    84    85    86    87  
   84    85    86    87  
   82    83    88    89    90  
   83    88    89    90  
   88    89    90  
   85    86    87  
   86    87  
   87  
    0  
   89    90  
   90  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   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    40   268.000  1.529
   38    39   340.000  1.090
   38    43   317.000  1.510
   38    45   320.000  1.410
   43    44   340.000  1.080
   43    50   549.000  1.340
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   317.000  1.510
   59    60   340.000  1.080
   59    64   549.000  1.340
   64    65   340.000  1.080
   64    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   45    46   553.000  0.945
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   317.000  1.510
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    38    45    50.00000  109.50000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    47    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  117.00000
   38    43    50    70.00000  124.00000
   38    45    46    55.00000  108.50000
   43    38    39    35.00000  109.50000
   43    50    51    35.00000  120.00000
   43    50    54    70.00000  124.00000
   50    43    44    35.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    59    70.00000  110.12100
   54    50    51    35.00000  117.00000
   54    59    60    35.00000  117.00000
   54    59    64    70.00000  124.00000
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    64    65    35.00000  120.00000
   59    64    69    70.00000  124.00000
   64    59    60    35.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    75    70.00000  112.02700
   69    64    65    35.00000  117.00000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    88    70.00000  109.69300
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    88    89    70.00000  117.00000
   81    88    90    70.00000  117.00000
   83    81    82    33.00000  107.80000
   88    81    82    35.00000  109.50000
   88    81    83    35.00000  109.50000
   90    88    89    80.00000  126.00000
   45    38    39    35.00000  109.50000
   45    38    43    90.00000  110.39200
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    52    70.00000  112.02700
   42    40    41    45.00000  125.66300
   47    40    41    50.00000  109.50000
   47    40    42    37.50000  110.70000
   47    52    53    35.00000  117.00000
   47    52    57    70.00000  124.00000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   52    57    58    35.00000  120.00000
   52    57    61    70.00000  124.00000
   57    52    53    35.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    66    70.00000  112.02700
   61    57    58    35.00000  117.00000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    84    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   80    78    79    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   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    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   33    38    43    44   0.00000  1.0 1.0
   33    38    43    50   0.09850  1.0 1.0
   33    38    43    50   0.15250 -1.0 2.0
   33    38    43    50  -0.50650  1.0 3.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    52   0.34400  1.0 1.0
   33    40    47    52   0.09450 -1.0 2.0
   33    40    47    52   0.11100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    45   0.23400  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    47   0.56750  1.0 1.0
   38    33    40    47  -0.07550 -1.0 2.0
   38    33    40    47   0.20000  1.0 3.0
   38    43    50    51   7.00000 -1.0 2.0
   38    43    50    54   7.00000 -1.0 2.0
   39    38    43    44   0.33100  1.0 3.0
   39    38    43    50   0.00000  1.0 1.0
   39    38    45    46   0.19450  1.0 3.0
   43    38    45    46  -0.07800  1.0 1.0
   43    38    45    46  -0.21500 -1.0 2.0
   43    38    45    46  -0.03150  1.0 3.0
   43    50    54    55   0.00000  1.0 1.0
   43    50    54    56   0.00000  1.0 1.0
   43    50    54    59  -0.28300  1.0 1.0
   43    50    54    59   0.26700 -1.0 2.0
   43    50    54    59  -0.63300  1.0 3.0
   44    43    50    51   7.00000 -1.0 2.0
   44    43    50    54   7.00000 -1.0 2.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    64  -0.28300  1.0 1.0
   50    54    59    64   0.26700 -1.0 2.0
   50    54    59    64  -0.63300  1.0 3.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    56   0.33100  1.0 3.0
   51    50    54    59   0.00000  1.0 1.0
   54    59    64    65   7.00000 -1.0 2.0
   54    59    64    69   7.00000 -1.0 2.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    64   0.00000  1.0 1.0
   56    54    59    60   0.33100  1.0 3.0
   56    54    59    64   0.00000  1.0 1.0
   59    64    69    70   0.00000  1.0 1.0
   59    64    69    71   0.00000  1.0 1.0
   59    64    69    75   0.09850  1.0 1.0
   59    64    69    75   0.15250 -1.0 2.0
   59    64    69    75  -0.50650  1.0 3.0
   60    59    64    65   7.00000 -1.0 2.0
   60    59    64    69   7.00000 -1.0 2.0
   64    69    75    76   0.15000  1.0 3.0
   64    69    75    77   0.15000  1.0 3.0
   64    69    75    81   0.34400  1.0 1.0
   64    69    75    81   0.09450 -1.0 2.0
   64    69    75    81   0.11100  1.0 3.0
   65    64    69    70   0.33100  1.0 3.0
   65    64    69    71   0.33100  1.0 3.0
   65    64    69    75   0.00000  1.0 1.0
   69    75    81    82   0.15000  1.0 3.0
   69    75    81    83   0.15000  1.0 3.0
   69    75    81    88  -1.63150  1.0 1.0
   69    75    81    88  -0.43550 -1.0 2.0
   69    75    81    88   0.24500  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    81   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    81   0.15000  1.0 3.0
   75    81    88    89   0.41150 -1.0 2.0
   75    81    88    90   0.41150 -1.0 2.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    88  -0.11250  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    88  -0.11250  1.0 3.0
   82    81    88    89   0.00000  1.0 1.0
   82    81    88    90   0.00000  1.0 1.0
   83    81    88    89   0.00000  1.0 1.0
   83    81    88    90   0.00000  1.0 1.0
   45    38    43    44   0.00000  1.0 1.0
   45    38    43    50   0.67800  1.0 1.0
   45    38    43    50   0.47050 -1.0 2.0
   45    38    43    50  -0.62500  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.34400  1.0 1.0
   40    33    38    43   0.09450 -1.0 2.0
   40    33    38    43   0.11100  1.0 3.0
   40    33    38    45   0.86500  1.0 1.0
   40    33    38    45  -0.17500 -1.0 2.0
   40    33    38    45   0.20800  1.0 3.0
   40    47    52    53   0.00000  1.0 1.0
   40    47    52    57   0.09850  1.0 1.0
   40    47    52    57   0.15250 -1.0 2.0
   40    47    52    57  -0.50650  1.0 3.0
   41    40    47    48   0.23400  1.0 3.0
   41    40    47    49   0.23400  1.0 3.0
   41    40    47    52   0.61850  1.0 1.0
   41    40    47    52  -0.22750 -1.0 2.0
   41    40    47    52   0.15300  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    49   0.15000  1.0 3.0
   42    40    47    52   0.15000  1.0 3.0
   47    52    57    58   7.00000 -1.0 2.0
   47    52    57    61   7.00000 -1.0 2.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    57   0.00000  1.0 1.0
   49    47    52    53   0.33100  1.0 3.0
   49    47    52    57   0.00000  1.0 1.0
   52    57    61    62   0.00000  1.0 1.0
   52    57    61    63   0.00000  1.0 1.0
   52    57    61    66   0.09850  1.0 1.0
   52    57    61    66   0.15250 -1.0 2.0
   52    57    61    66  -0.50650  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    61   7.00000 -1.0 2.0
   57    61    66    67   0.15000  1.0 3.0
   57    61    66    68   0.15000  1.0 3.0
   57    61    66    72   0.34400  1.0 1.0
   57    61    66    72   0.09450 -1.0 2.0
   57    61    66    72   0.11100  1.0 3.0
   58    57    61    62   0.33100  1.0 3.0
   58    57    61    63   0.33100  1.0 3.0
   58    57    61    66   0.00000  1.0 1.0
   61    66    72    73   0.15000  1.0 3.0
   61    66    72    74   0.15000  1.0 3.0
   61    66    72    78   0.56750  1.0 1.0
   61    66    72    78  -0.07550 -1.0 2.0
   61    66    72    78   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    72   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    72   0.15000  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    80   0.15000  1.0 3.0
   66    72    78    84   0.56750  1.0 1.0
   66    72    78    84  -0.07550 -1.0 2.0
   66    72    78    84   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    78   0.15000  1.0 3.0
   72    78    84    85   0.15000  1.0 3.0
   72    78    84    86   0.15000  1.0 3.0
   72    78    84    87   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    84   0.15000  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    84   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  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
   38    44    43    50  15.00000 -1.0 2.0
   54    51    50    43  15.00000 -1.0 2.0
   54    60    59    64  15.00000 -1.0 2.0
   69    65    64    59  15.00000 -1.0 2.0
   89    81    88    90  10.50000 -1.0 2.0
   47    53    52    57  15.00000 -1.0 2.0
   61    58    57    52  15.00000 -1.0 2.0
END
