* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    168    256     499
    1     0 S   NP   _N1_     1    28.61777    96.80170   -21.80968
    2     1 S   H    _HN1     2     1.02785    95.86641   -91.51225
    3     1 S   H    _H1_     3     1.02949    72.84395    15.93203
    4     1 S   H    _H2_     4     1.02828    42.48709   158.30689
    5     1 S   CT   _CA1     5     1.50114   147.86957   117.14937
    6     5 S   HC   _HA1     6     1.09573   105.18957    87.62032
    7     5 S   CO3  _C1_     7     1.53785   112.47334   -32.60473
    8     7 S   O2Z  _O11     8     1.26372   115.00689   -42.27510
    9     7 S   O2Z  _O12     9     1.26241   114.94882   136.85303
   10     5 S   CT   _CB1    10     1.53081   107.42042  -154.39873
   11    10 S   HC   HB11    11     1.09833   109.35987   -49.69200
   12    10 S   HC   HB12    12     1.09812   110.45227    66.91446
   13    10 S   CT   _CG1    13     1.52995   112.61390  -170.66805
   14    13 S   HC   HG11    14     1.09580   110.63629   -65.93709
   15    13 S   HC   HG12    15     1.09672   109.77182    53.29231
   16    13 S   C    _CD1    16     1.51806   112.21865   173.74091
   17    16 S   O    _OE1    17     1.22722   123.26677     7.33944
   18    16 S   N    _N2_    18     1.38674   111.66639  -172.65476
   19    18 S   H    _HN2    19     1.01575   118.92529     1.97001
   20    18 S   CT1  _CA2    20     1.46153   123.35501   177.34045
   21    20 S   HC   _HA2    21     1.09706   109.27138     4.95757
   22    20 S   C    _C2_    22     1.53475   109.14816  -110.38504
   23    22 S   O    _O2_    23     1.23129   122.03423  -151.22917
   24    20 S   CT   _CB2    32     1.53220   111.52052   127.21521
   25    24 S   HC   HB21    33     1.09597   110.32560    55.64571
   26    24 S   HC   HB22    34     1.09525   110.99620   174.09698
   27    22 S   N    _N3_    24     1.38219   113.99882    36.66389
   28    27 S   H    _HN3    25     1.01566   119.60984    -3.37823
   29    24 S   S    _SG2    35     1.82299   112.69012   -64.76378
   30    27 S   CT   _CA3    26     1.45284   123.23143   176.46338
   31    30 S   HC   HA31    27     1.09553   107.48563   -65.25734
   32    30 S   HC   HA32    28     1.09556   108.01282    51.18725
   33    29 S   OS   _O36    36     1.66700    98.51593   -67.06209
   34    30 S   CO3  _C3_    29     1.52965   114.04940   173.25744
   35    34 S   O2Z  _O31    30     1.26384   116.06603     0.86908
   36    34 S   O2Z  _O32    31     1.26428   114.42110  -179.05064
   37    33 S   CT   _C13    37     1.42672   115.10937   -94.96914
   38    37 S   HC   _H5_    38     1.09984   111.11375    32.62848
   39    37 S   CT   _C14    39     1.54343   111.02184   -89.60301
   40    39 S   HC   _H21    40     1.09892   107.68292   118.19349
   41    39 S   HC   _H22    41     1.09824   112.69477     1.59888
   42    39 S   CT   _C15    42     1.55241   107.77817  -125.13380
   43    42 S   OM   _O35    43     1.32339   107.76769    99.16173
   44    42 S   HC   _H6_    44     1.09935   107.23618  -131.07221
   45    42 S   CT   _C16    45     1.55923   102.39086   -18.42789
   46    45 S   HC   _H7_    46     1.10309   106.59145   -76.34853
   47    37 S   CT   _C12    47     1.53943   108.97698   154.15473
   48    47 S   HC   _H4_    48     1.09929   109.59992    32.49759
   49    45 S   CT   _C17    73     1.54035   117.56762   163.96947
   50    49 S   HC   _H23    74     1.09708   110.86690   -63.81166
   51    49 S   HC   _H24    75     1.09543   109.72437  -179.14020
   52    47 S   CM   _C11    49     1.50852   112.19824   -88.69192
   53    52 S   HC   _H20    50     1.08765   117.03779   -63.32960
   54    49 S   CM   _C18    76     1.50325   112.63654    58.00312
   55    54 S   HC   _H25    77     1.08865   115.44174   -84.47826
   56    52 S   CM   _C10    51     1.34205   123.65140   117.74702
   57    56 S   HC   _H19    52     1.08775   119.32515    -1.14859
   58    54 S   CM   _C19    78     1.34185   127.08234    96.16365
   59    58 S   HC   _H26    79     1.08875   117.29390   179.38515
   60    56 S   CT   _C9_    53     1.50206   123.93889   178.05338
   61    60 S   HC   _H3_    54     1.09635   111.56235     3.66896
   62    58 S   CT   _C20    80     1.50141   127.16576    -2.48648
   63    62 S   HC   _H27    81     1.09699   108.00657  -124.79638
   64    62 S   HC   _H28    82     1.09491   111.76205    -8.31942
   65    60 S   CT   _C8_    55     1.53358   112.61941  -119.80934
   66    65 S   HC   _H17    56     1.09827   108.58056  -171.64689
   67    65 S   HC   _H18    57     1.09848   109.80919   -57.01187
   68    60 S   OH   _O37    71     1.42675   108.28405   121.71460
   69    68 S   HO   _H33    72     0.97371   107.53969   -66.40678
   70    62 S   CT   _C21    83     1.52948   111.24914   114.84236
   71    70 S   HC   _H29    84     1.09766   109.82154    56.64491
   72    70 S   HC   _H30    85     1.09728   109.66860   -60.31341
   73    65 S   CT   _C7_    58     1.53019   113.49442    66.44907
   74    73 S   HC   _H15    59     1.09570   110.17213   -61.22307
   75    73 S   HC   _H16    60     1.09674   109.53314    56.53115
   76    70 S   CT   _C22    86     1.52571   111.30704   178.10390
   77    76 S   HC   _H31    87     1.09714   109.44622    58.58269
   78    76 S   HC   _H32    88     1.09714   109.43225   -58.68223
   79    73 S   CT   _C6_    61     1.53044   111.05966   177.78893
   80    79 S   HC   _H13    62     1.09684   109.65391   -57.46785
   81    79 S   HC   _H14    63     1.09683   109.53351    59.84745
   82    76 S   CO3  _C23    89     1.53207   115.24881  -179.94766
   83    82 S   O2Z  _O34    90     1.26523   114.01093  -179.50347
   84    82 S   O2Z  _O33    91     1.26125   116.69059     0.38563
   85    79 S   CT   _C5_    64     1.52750   111.27935  -178.75463
   86    85 S   HC   _H11    65     1.09594   109.92631   -58.03302
   87    85 S   HC   _H12    66     1.09523   109.56230    59.75618
   88    85 S   CT   _C4_    67     1.51985   111.65165  -179.33943
   89    88 S   HC   _H8_    68     1.09467   111.00234   -60.06624
   90    88 S   HC   _H9_    69     1.09465   111.00060    60.46573
   91    88 S   HC   _H10    70     1.09453   110.24164  -179.78971
  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  10   6   9   5   4
  11   6   5   2   1   8   5   4   9   5   4   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    70  
   58    59    62  
   57    60    61    65    66    67    73    68    69  
   60    61    65    68  
   59    62    63    64    70    71    72    76  
   62    63    64    70  
   61    65    66    67    73    74    75    79    68    69  
   65    66    67    73    68    69  
   63    64    70    71    72    76    77    78    82  
   64    70    71    72    76  
   70    71    72    76  
   66    67    73    74    75    79    80    81    85    68    69  
   67    73    74    75    79    68  
   73    74    75    79    68  
   69    73  
    0  
   71    72    76    77    78    82    83    84  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81    85    86    87    88  
   75    79    80    81    85  
   79    80    81    85  
   77    78    82    83    84  
   78    82    83    84  
   82    83    84  
   80    81    85    86    87    88    89    90    91  
   81    85    86    87    88  
   85    86    87    88  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550   0.047500   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   0.205000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   68    69   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    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   317.000  1.522
   82    83   656.000  1.250
   82    84   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    90.00000  110.39200
   60    56    57    35.00000  117.00000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    73    58.35000  112.70000
   60    68    69    55.00000  108.50000
   65    60    61    37.50000  110.70000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    79    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    85    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    58.35000  112.70000
   81    79    80    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    65    50.00000  109.50000
   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    70    70.00000  112.02700
   62    58    59    35.00000  117.00000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    76    58.35000  112.70000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    70.00000  109.69300
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    70.00000  117.00000
   76    82    84    70.00000  117.00000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   84    82    83    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   0.67800  1.0 1.0
   52    56    60    68   0.47050 -1.0 2.0
   52    56    60    68  -0.62500  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    73   0.34400  1.0 1.0
   56    60    65    73   0.09450 -1.0 2.0
   56    60    65    73   0.11100  1.0 3.0
   56    60    68    69  -0.07800  1.0 1.0
   56    60    68    69  -0.21500 -1.0 2.0
   56    60    68    69  -0.03150  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    73    74   0.15000  1.0 3.0
   60    65    73    75   0.15000  1.0 3.0
   60    65    73    79   0.56750  1.0 1.0
   60    65    73    79  -0.07550 -1.0 2.0
   60    65    73    79   0.20000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    73   0.15000  1.0 3.0
   61    60    68    69   0.19450  1.0 3.0
   65    60    68    69  -0.11600  1.0 1.0
   65    60    68    69  -0.09450 -1.0 2.0
   65    60    68    69   0.21250  1.0 3.0
   65    73    79    80   0.15000  1.0 3.0
   65    73    79    81   0.15000  1.0 3.0
   65    73    79    85   0.56750  1.0 1.0
   65    73    79    85  -0.07550 -1.0 2.0
   65    73    79    85   0.20000  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    79   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.15000  1.0 3.0
   67    65    73    79   0.15000  1.0 3.0
   73    79    85    86   0.15000  1.0 3.0
   73    79    85    87   0.15000  1.0 3.0
   73    79    85    88   0.56750  1.0 1.0
   73    79    85    88  -0.07550 -1.0 2.0
   73    79    85    88   0.20000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    85   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    85   0.15000  1.0 3.0
   79    85    88    89   0.15000  1.0 3.0
   79    85    88    90   0.15000  1.0 3.0
   79    85    88    91   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.15000  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    91   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    73   0.86500  1.0 1.0
   68    60    65    73  -0.17500 -1.0 2.0
   68    60    65    73   0.20800  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    70   0.09850  1.0 1.0
   54    58    62    70   0.15250 -1.0 2.0
   54    58    62    70  -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    70    71   0.15000  1.0 3.0
   58    62    70    72   0.15000  1.0 3.0
   58    62    70    76   0.34400  1.0 1.0
   58    62    70    76   0.09450 -1.0 2.0
   58    62    70    76   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    70   0.00000  1.0 1.0
   62    70    76    77   0.15000  1.0 3.0
   62    70    76    78   0.15000  1.0 3.0
   62    70    76    82  -1.63150  1.0 1.0
   62    70    76    82  -0.43550 -1.0 2.0
   62    70    76    82   0.24500  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    76   0.15000  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    76   0.15000  1.0 3.0
   70    76    82    83   0.41150 -1.0 2.0
   70    76    82    84   0.41150 -1.0 2.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82  -0.11250  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82  -0.11250  1.0 3.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   0.00000  1.0 1.0
   78    76    82    83   0.00000  1.0 1.0
   78    76    82    84   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
   83    76    82    84  10.50000 -1.0 2.0
END
