* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    169    257     502
    1     0 S   NP   _N1_     1    28.07456    96.65619   -19.88952
    2     1 S   H    _HN1     2     1.02776    83.69846   -98.96304
    3     1 S   H    _H1_     3     1.02960    77.70838    11.39715
    4     1 S   H    _H2_     4     1.02838    46.93769   139.27977
    5     1 S   CT   _CA1     5     1.50132   157.14646   125.02361
    6     5 S   HC   _HA1     6     1.09575   105.21719    70.30664
    7     5 S   CO3  _C1_     7     1.53783   112.37265   -49.87066
    8     7 S   O2Z  _O11     8     1.26361   114.99552   -43.61003
    9     7 S   O2Z  _O12     9     1.26236   114.93181   135.50477
   10     5 S   CT   _CB1    10     1.53098   107.41891  -171.79170
   11    10 S   HC   HB11    11     1.09826   109.30750   -50.69870
   12    10 S   HC   HB12    12     1.09816   110.42752    65.84416
   13    10 S   CT   _CG1    13     1.53020   112.69069  -171.79173
   14    13 S   HC   HG11    14     1.09595   110.47378   -64.51493
   15    13 S   HC   HG12    15     1.09655   109.93576    54.68950
   16    13 S   C    _CD1    16     1.51837   112.32423   175.03383
   17    16 S   O    _OE1    17     1.22743   123.29176    -0.48537
   18    16 S   N    _N2_    18     1.38572   111.70922   179.61184
   19    18 S   H    _HN2    19     1.01566   119.03358     4.69110
   20    18 S   CT1  _CA2    20     1.45891   122.84152   177.90753
   21    20 S   HC   _HA2    21     1.09646   109.04433    23.83640
   22    20 S   C    _C2_    22     1.52815   105.89459   -93.87200
   23    22 S   O    _O2_    23     1.23059   122.53601   -38.37311
   24    20 S   CT   _CB2    32     1.53119   112.28509   147.20408
   25    24 S   HC   HB21    33     1.09614   110.39641    57.56029
   26    24 S   HC   HB22    34     1.09524   110.79381   175.78950
   27    22 S   N    _N3_    24     1.38405   113.13445   143.97555
   28    27 S   H    _HN3    25     1.01589   120.20801    -3.63152
   29    24 S   S    _SG2    35     1.82309   112.30344   -62.16305
   30    27 S   CT   _CA3    26     1.45481   122.08189   178.98625
   31    30 S   HC   HA31    27     1.09588   107.86311   -51.95414
   32    30 S   HC   HA32    28     1.09557   107.79137    64.06930
   33    29 S   OS   _O36    36     1.66572    98.72606   -72.88533
   34    30 S   CO3  _C3_    29     1.52737   113.41124  -175.04599
   35    34 S   O2Z  _O31    30     1.26360   115.31505   -47.85730
   36    34 S   O2Z  _O32    31     1.26433   115.02634   131.78978
   37    33 S   CT   _C13    37     1.42924   115.12191  -105.29688
   38    37 S   HC   _H5_    38     1.09952   111.40433    21.78360
   39    37 S   CT   _C14    39     1.54379   110.16224   -99.90126
   40    39 S   HC   _H21    40     1.09909   107.54134   128.99848
   41    39 S   HC   _H22    41     1.09778   112.95032    11.82857
   42    39 S   CT   _C15    42     1.55046   107.72732  -114.98116
   43    42 S   OM   _O35    43     1.32322   108.08429    92.04812
   44    42 S   HC   _H6_    44     1.09931   107.19444  -138.10045
   45    42 S   CT   _C16    45     1.55744   101.65607   -25.61225
   46    45 S   HC   _H7_    46     1.10292   106.67158   -74.47384
   47    37 S   CT   _C12    47     1.54087   108.63321   144.14967
   48    47 S   HC   _H4_    48     1.09948   109.59497    23.52894
   49    45 S   CT   _C17    74     1.54054   117.50457   165.60765
   50    49 S   HC   _H23    75     1.09708   110.82634   -62.10868
   51    49 S   HC   _H24    76     1.09562   109.63637  -177.35196
   52    47 S   CM   _C11    49     1.50692   111.72623   -97.35394
   53    52 S   HC   _H20    50     1.08749   117.25851   -67.20434
   54    49 S   CM   _C18    77     1.50288   112.62346    59.50252
   55    54 S   HC   _H25    78     1.08867   115.45596   -80.23392
   56    52 S   CM   _C10    51     1.34079   123.35543   112.43529
   57    56 S   HC   _H19    52     1.08803   119.22950    -0.47519
   58    54 S   CM   _C19    79     1.34182   127.06122   100.91411
   59    58 S   HC   _H26    80     1.08872   117.32392   178.84462
   60    56 S   CT   _C9_    53     1.50366   124.12377   180.00000
   61    60 S   HC   _H3_    54     1.09744   110.66454    -2.13267
   62    58 S   CT   _C20    81     1.50139   127.17707    -2.82244
   63    62 S   HC   _H27    82     1.09707   107.97322  -128.83556
   64    62 S   HC   _H28    83     1.09504   111.71647   -12.58351
   65    60 S   CT   _C8_    55     1.53833   111.19597  -124.87791
   66    65 S   HC   _H17    56     1.09707   109.43255  -171.39209
   67    65 S   HC   _H18    57     1.09776   109.83685   -56.24846
   68    60 S   OS   _O37    71     1.43138   105.81856   115.20604
   69    62 S   CT   _C21    84     1.52942   111.28624   110.70494
   70    69 S   HC   _H29    85     1.09764   109.84379    55.90844
   71    69 S   HC   _H30    86     1.09759   109.65101   -61.09721
   72    65 S   CT   _C7_    58     1.53171   113.08695    66.96440
   73    72 S   HC   _H15    59     1.09603   110.32104   -59.96891
   74    72 S   HC   _H16    60     1.09681   109.39867    57.72101
   75    68 S   OH   _O38    72     1.45479   106.65892  -167.98945
   76    75 S   HO   _H33    73     0.97594    95.61516  -110.92427
   77    69 S   CT   _C22    87     1.52568   111.31380   177.38985
   78    77 S   HC   _H31    88     1.09709   109.45575    58.94744
   79    77 S   HC   _H32    89     1.09716   109.41831   -58.31802
   80    72 S   CT   _C6_    61     1.53021   111.16136   178.95152
   81    80 S   HC   _H13    62     1.09681   109.70587   -56.62813
   82    80 S   HC   _H14    63     1.09680   109.50260    60.71113
   83    77 S   CO3  _C23    90     1.53209   115.24029  -179.57942
   84    83 S   O2Z  _O34    91     1.26525   114.01163   179.10453
   85    83 S   O2Z  _O33    92     1.26124   116.69538    -1.05258
   86    80 S   CT   _C5_    64     1.52775   111.21311  -177.87606
   87    86 S   HC   _H11    65     1.09611   110.00369   -57.35993
   88    86 S   HC   _H12    66     1.09537   109.51065    60.39914
   89    86 S   CT   _C4_    67     1.51984   111.64753  -178.75479
   90    89 S   HC   _H8_    68     1.09466   111.00396   -59.95614
   91    89 S   HC   _H9_    69     1.09463   110.99898    60.57636
   92    89 S   HC   _H10    70     1.09452   110.23928  -179.68041
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  15   8  11   6   5  11   5   4  12   7  10   4
   8   4   3   7   3   7   3   9   4   8   4  11   6   9   5   4
  11   6   5   3   8   5   4   9   5   4   1   1   5   4   3   9
   5   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45    47    48    52  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48    52    53    56    49  
   39    40    41    42    45    47    48    52  
   40    41    42    43    44    45    46    47    48    52    49  
   41    42    43    44    45    47  
   42    43    44    45    47  
   43    44    45    46    47    48    52    49    50    51    54  
   44    45    46    47    49  
   45    46    47    49  
   46    47    48    52    53    56    49    50    51    54    55    58  
   47    48    52    49    50    51    54  
   48    52    53    56    57    60    49    50    51    54  
   52    53    56    49  
   50    51    54    55    58    59    62    52  
   51    54    55    58  
   54    55    58  
   53    56    57    60    61    65    68  
   56    57    60  
   55    58    59    62    63    64    69  
   58    59    62  
   57    60    61    65    66    67    72    68    75  
   60    61    65    68  
   59    62    63    64    69    70    71    77  
   62    63    64    69  
   61    65    66    67    72    73    74    80    68    75    76  
   65    66    67    72    68    75  
   63    64    69    70    71    77    78    79    83  
   64    69    70    71    77  
   69    70    71    77  
   66    67    72    73    74    80    81    82    86    68    75  
   67    72    73    74    80    68  
   72    73    74    80    68  
   75    76    72  
   70    71    77    78    79    83    84    85  
   71    77    78    79    83  
   77    78    79    83  
   73    74    80    81    82    86    87    88    89  
   74    80    81    82    86  
   80    81    82    86  
   76  
    0  
   78    79    83    84    85  
   79    83    84    85  
   83    84    85  
   81    82    86    87    88    89    90    91    92  
   82    86    87    88    89  
   86    87    88    89  
   84    85  
   85  
    0  
   87    88    89    90    91    92  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    47   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   268.000  1.529
   47    48   340.000  1.090
   47    52   317.000  1.510
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    57   340.000  1.080
   56    60   317.000  1.510
   60    61   340.000  1.090
   60    65   268.000  1.529
   60    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   68    75   295.000  1.451
   75    76   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   317.000  1.522
   83    84   656.000  1.250
   83    85   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    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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    50.00000  109.50000
   33    37    47    50.00000  109.50000
   37    39    40    37.50000  110.70000
   37    39    41    37.50000  110.70000
   37    39    42    58.35000  112.70000
   37    47    45    58.35000  112.70000
   37    47    48    37.50000  110.70000
   37    47    52    70.00000  112.02700
   39    37    38    37.50000  110.70000
   39    42    43    50.00000  109.50000
   39    42    44    37.50000  110.70000
   39    42    45    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    49    58.35000  112.70000
   44    42    43    45.00000  125.66300
   45    42    43    50.00000  109.50000
   45    42    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    52    70.00000  112.02700
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    54    70.00000  112.02700
   47    37    38    37.50000  110.70000
   47    37    39    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    52    53    35.00000  117.00000
   47    52    56    70.00000  124.00000
   52    47    48    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    60    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    65    70.00000  112.02700
   56    60    68    85.00000  110.90400
   60    56    57    35.00000  117.00000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    72    58.35000  112.70000
   60    68    75   125.00000  106.88800
   65    60    61    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    80    58.35000  112.70000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    86    58.35000  112.70000
   74    72    73    33.00000  107.80000
   80    72    73    37.50000  110.70000
   80    72    74    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    58.35000  112.70000
   82    80    81    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    65    50.00000  109.50000
   68    75    76    90.00000  100.86400
   49    45    46    37.50000  110.70000
   49    45    47    58.35000  112.70000
   49    54    55    35.00000  117.00000
   49    54    58    70.00000  124.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    62    70.00000  124.00000
   58    54    55    35.00000  120.00000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    69    70.00000  112.02700
   62    58    59    35.00000  117.00000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    77    58.35000  112.70000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    83    70.00000  109.69300
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    83    84    70.00000  117.00000
   77    83    85    70.00000  117.00000
   79    77    78    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    79    35.00000  109.50000
   85    83    84    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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    47   0.37500  1.0 3.0
   33    37    39    40   0.23400  1.0 3.0
   33    37    39    41   0.23400  1.0 3.0
   33    37    39    42   0.62750  1.0 1.0
   33    37    39    42  -0.30950 -1.0 2.0
   33    37    39    42   0.27300  1.0 3.0
   33    37    47    45   0.62750  1.0 1.0
   33    37    47    45  -0.30950 -1.0 2.0
   33    37    47    45   0.27300  1.0 3.0
   33    37    47    48   0.23400  1.0 3.0
   33    37    47    52   0.61850  1.0 1.0
   33    37    47    52  -0.22750 -1.0 2.0
   33    37    47    52   0.15300  1.0 3.0
   37    39    42    43   0.62750  1.0 1.0
   37    39    42    43  -0.30950 -1.0 2.0
   37    39    42    43   0.27300  1.0 3.0
   37    39    42    44   0.15000  1.0 3.0
   37    39   -42    45   0.56750  1.0 1.0
   37    39   -42    45  -0.07550 -1.0 2.0
   37    39   -42    45   0.20000  1.0 3.0
   37    47    52    53   0.00000  1.0 1.0
   37    47    52    56   0.09850  1.0 1.0
   37    47    52    56   0.15250 -1.0 2.0
   37    47    52    56  -0.50650  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    41   0.15000  1.0 3.0
   38    37    39    42   0.15000  1.0 3.0
   38    37    47    45   0.15000  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    52   0.15000  1.0 3.0
   39    37   -47    45   0.56750  1.0 1.0
   39    37   -47    45  -0.07550 -1.0 2.0
   39    37   -47    45   0.20000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    52   0.34400  1.0 1.0
   39    37    47    52   0.09450 -1.0 2.0
   39    37    47    52   0.11100  1.0 3.0
   39    42    45    46   0.15000  1.0 3.0
   39    42   -45    47   0.56750  1.0 1.0
   39    42   -45    47  -0.07550 -1.0 2.0
   39    42   -45    47   0.20000  1.0 3.0
   39    42    45    49   0.56750  1.0 1.0
   39    42    45    49  -0.07550 -1.0 2.0
   39    42    45    49   0.20000  1.0 3.0
   40    39    42    43   0.23400  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   41    39    42    43   0.23400  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    45   0.15000  1.0 3.0
   42    45   -47    37   0.56750  1.0 1.0
   42    45   -47    37  -0.07550 -1.0 2.0
   42    45   -47    37   0.20000  1.0 3.0
   42    45    47    48   0.15000  1.0 3.0
   42    45    47    52   0.34400  1.0 1.0
   42    45    47    52   0.09450 -1.0 2.0
   42    45    47    52   0.11100  1.0 3.0
   42    45    49    50   0.15000  1.0 3.0
   42    45    49    51   0.15000  1.0 3.0
   42    45    49    54   0.34400  1.0 1.0
   42    45    49    54   0.09450 -1.0 2.0
   42    45    49    54   0.11100  1.0 3.0
   43    42    45    46   0.23400  1.0 3.0
   43    42    45    47   0.62750  1.0 1.0
   43    42    45    47  -0.30950 -1.0 2.0
   43    42    45    47   0.27300  1.0 3.0
   43    42    45    49   0.62750  1.0 1.0
   43    42    45    49  -0.30950 -1.0 2.0
   43    42    45    49   0.27300  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    49   0.15000  1.0 3.0
   45    47    52    53   0.00000  1.0 1.0
   45    47    52    56   0.09850  1.0 1.0
   45    47    52    56   0.15250 -1.0 2.0
   45    47    52    56  -0.50650  1.0 3.0
   45    49    54    55   0.00000  1.0 1.0
   45    49    54    58   0.09850  1.0 1.0
   45    49    54    58   0.15250 -1.0 2.0
   45    49    54    58  -0.50650  1.0 3.0
   46    45    47    37   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    52   0.15000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   47    37    39    40   0.15000  1.0 3.0
   47    37    39    41   0.15000  1.0 3.0
   47    37   -39    42   0.56750  1.0 1.0
   47    37   -39    42  -0.07550 -1.0 2.0
   47    37   -39    42   0.20000  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    54   0.34400  1.0 1.0
   47    45    49    54   0.09450 -1.0 2.0
   47    45    49    54   0.11100  1.0 3.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    60   7.00000 -1.0 2.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    56   0.00000  1.0 1.0
   52    56    60    61   0.00000  1.0 1.0
   52    56    60    65   0.09850  1.0 1.0
   52    56    60    65   0.15250 -1.0 2.0
   52    56    60    65  -0.50650  1.0 3.0
   52    56    60    68   0.39000  1.0 1.0
   52    56    60    68  -0.05800 -1.0 2.0
   52    56    60    68  -0.55150  1.0 3.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    60   7.00000 -1.0 2.0
   56    60    65    66   0.15000  1.0 3.0
   56    60    65    67   0.15000  1.0 3.0
   56    60    65    72   0.34400  1.0 1.0
   56    60    65    72   0.09450 -1.0 2.0
   56    60    65    72   0.11100  1.0 3.0
   56    60    68    75   0.37500  1.0 3.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    65   0.00000  1.0 1.0
   57    56    60    68   0.00000  1.0 1.0
   60    65    72    73   0.15000  1.0 3.0
   60    65    72    74   0.15000  1.0 3.0
   60    65    72    80   0.56750  1.0 1.0
   60    65    72    80  -0.07550 -1.0 2.0
   60    65    72    80   0.20000  1.0 3.0
   60    68    75    76  -2.50000 -1.0 2.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    72   0.15000  1.0 3.0
   61    60    68    75   0.37500  1.0 3.0
   65    60    68    75   0.37500  1.0 3.0
   65    72    80    81   0.15000  1.0 3.0
   65    72    80    82   0.15000  1.0 3.0
   65    72    80    86   0.56750  1.0 1.0
   65    72    80    86  -0.07550 -1.0 2.0
   65    72    80    86   0.20000  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   66    65    72    80   0.15000  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   67    65    72    80   0.15000  1.0 3.0
   72    80    86    87   0.15000  1.0 3.0
   72    80    86    88   0.15000  1.0 3.0
   72    80    86    89   0.56750  1.0 1.0
   72    80    86    89  -0.07550 -1.0 2.0
   72    80    86    89   0.20000  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    82   0.15000  1.0 3.0
   73    72    80    86   0.15000  1.0 3.0
   74    72    80    81   0.15000  1.0 3.0
   74    72    80    82   0.15000  1.0 3.0
   74    72    80    86   0.15000  1.0 3.0
   80    86    89    90   0.15000  1.0 3.0
   80    86    89    91   0.15000  1.0 3.0
   80    86    89    92   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.15000  1.0 3.0
   87    86    89    90   0.15000  1.0 3.0
   87    86    89    91   0.15000  1.0 3.0
   87    86    89    92   0.15000  1.0 3.0
   88    86    89    90   0.15000  1.0 3.0
   88    86    89    91   0.15000  1.0 3.0
   88    86    89    92   0.15000  1.0 3.0
   68    60    65    66   0.23400  1.0 3.0
   68    60    65    67   0.23400  1.0 3.0
   68    60    65    72   0.62750  1.0 1.0
   68    60    65    72  -0.30950 -1.0 2.0
   68    60    65    72   0.27300  1.0 3.0
   49    45    47    37   0.56750  1.0 1.0
   49    45    47    37  -0.07550 -1.0 2.0
   49    45    47    37   0.20000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    52   0.34400  1.0 1.0
   49    45    47    52   0.09450 -1.0 2.0
   49    45    47    52   0.11100  1.0 3.0
   49    54    58    59   7.00000 -1.0 2.0
   49    54    58    62   7.00000 -1.0 2.0
   50    49    54    55   0.33100  1.0 3.0
   50    49    54    58   0.00000  1.0 1.0
   51    49    54    55   0.33100  1.0 3.0
   51    49    54    58   0.00000  1.0 1.0
   54    58    62    63   0.00000  1.0 1.0
   54    58    62    64   0.00000  1.0 1.0
   54    58    62    69   0.09850  1.0 1.0
   54    58    62    69   0.15250 -1.0 2.0
   54    58    62    69  -0.50650  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    62   7.00000 -1.0 2.0
   58    62    69    70   0.15000  1.0 3.0
   58    62    69    71   0.15000  1.0 3.0
   58    62    69    77   0.34400  1.0 1.0
   58    62    69    77   0.09450 -1.0 2.0
   58    62    69    77   0.11100  1.0 3.0
   59    58    62    63   0.33100  1.0 3.0
   59    58    62    64   0.33100  1.0 3.0
   59    58    62    69   0.00000  1.0 1.0
   62    69    77    78   0.15000  1.0 3.0
   62    69    77    79   0.15000  1.0 3.0
   62    69    77    83  -1.63150  1.0 1.0
   62    69    77    83  -0.43550 -1.0 2.0
   62    69    77    83   0.24500  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    77   0.15000  1.0 3.0
   64    62    69    70   0.15000  1.0 3.0
   64    62    69    71   0.15000  1.0 3.0
   64    62    69    77   0.15000  1.0 3.0
   69    77    83    84   0.41150 -1.0 2.0
   69    77    83    85   0.41150 -1.0 2.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    83  -0.11250  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.15000  1.0 3.0
   71    69    77    83  -0.11250  1.0 3.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.00000  1.0 1.0
   79    77    83    84   0.00000  1.0 1.0
   79    77    83    85   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
   35    30    34    36  10.50000 -1.0 2.0
   47    53    52    56  15.00000 -1.0 2.0
   60    57    56    52  15.00000 -1.0 2.0
   49    55    54    58  15.00000 -1.0 2.0
   62    59    58    54  15.00000 -1.0 2.0
   84    77    83    85  10.50000 -1.0 2.0
END
