* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    162    239     478
    1     0 S   CO3  _C1_     1    30.03731    96.24503   -17.52263
    2     1 S   O2Z  _O11     8     1.25095    67.47007    48.61923
    3     1 S   O2Z  _O12     9     1.24883   119.55550   166.45519
    4     1 S   CT   _CA1    12     1.53908    83.13830   -76.08766
    5     4 S   HC   _HA1    28     1.05972   106.52371   -83.33133
    6     4 S   NP   _N1_     2     1.47350   109.34128    32.44770
    7     6 S   H    _HN1    23     1.02120   110.27961   160.05175
    8     6 S   H    _H1_    24     1.02091   110.24001    40.01172
    9     6 S   H    _H2_    25     1.02108   110.25976   -79.97952
   10     4 S   CT   _CB1    15     1.54281   111.98219   155.95182
   11    10 S   HC   HB11    32     1.08929   109.26512  -167.06660
   12    10 S   HC   HB12    33     1.08772   109.34450   -50.33916
   13    10 S   CT   _CG1    18     1.53934   112.63786    71.55928
   14    13 S   HC   HG11    34     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    35     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_     4     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    26     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    13     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    29     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_     3     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_     5     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    19     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    21     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    22     1.08547   109.95733   179.17291
   27    22 S   N    _N3_     7     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    27     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    20     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    14     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    30     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    31     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    55     1.85012    97.26904   179.97202
   34    33 S   HC   _H3_    91     1.09982   105.01649  -176.62908
   35    30 S   CO3  _C3_     6     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    10     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    11     1.25025   116.29664   179.33914
   38    33 S   CT   _C11    46     1.55231   109.47893   -60.01513
   39    33 S   CT   _C18    53     1.57190   108.98603    67.38272
   40    39 S   OM   _O21    56     1.32452   107.16408   171.19694
   41    38 S   HC   _H39    73     1.09717   109.62563  -172.51350
   42    38 S   HC   _H40    74     1.09454   110.04376    71.02327
   43    39 S   HC   _H53    87     1.10198   105.69225   -62.70335
   44    38 S   CM   _C4_    39     1.50678   113.06888   -54.20401
   45    44 S   HC   _H29    63     1.08876   115.63976   -29.69627
   46    39 S   CM   _C5_    40     1.52018   112.94522    53.81108
   47    46 S   HC   _H30    64     1.09000   118.17303    35.22738
   48    44 S   CM   _C22    37     1.34187   127.16813   149.75768
   49    48 S   HC   _H27    61     1.08939   117.15996   179.01702
   50    46 S   CM   _C6_    41     1.34375   123.65042  -145.82892
   51    50 S   HC   _H31    65     1.08787   119.33797     0.71982
   52    48 S   CT   _C9_    44     1.50038   127.28117    -0.02798
   53    52 S   HC   _H35    69     1.09566   111.15645    30.01899
   54    52 S   HC   _H36    70     1.09671   108.24212   145.23869
   55    50 S   CT   _C19    54     1.50176   123.73646  -178.83551
   56    55 S   HC   _H54    88     1.09646   110.60749     0.08156
   57    52 S   CM   _C21    36     1.49917   111.82246   -95.20539
   58    57 S   HC   _H26    60     1.08737   117.17117   -25.93087
   59    55 S   CT   _C17    52     1.53551   110.51940  -122.24366
   60    59 S   HC   _H51    85     1.09747   109.65839   -59.97804
   61    59 S   HC   _H52    86     1.09629   109.02803  -177.45901
   62    55 S   OH   _O24    59     1.42565   107.30190   117.50103
   63    62 S   HO   _H57    90     0.96993   106.51999    60.01845
   64    57 S   CM   _C23    38     1.34226   123.54523   155.11962
   65    64 S   HC   _H28    62     1.08724   119.52962   179.28536
   66    59 S   CT   _C16    51     1.53342   112.47847    60.75419
   67    66 S   HC   _H49    83     1.09675   109.72110    55.69584
   68    66 S   HC   _H50    84     1.09637   109.50561   -61.29193
   69    64 S   CT   _C10    45     1.50097   123.73903    -0.02798
   70    69 S   HC   _H37    71     1.09632   107.74611   150.01294
   71    69 S   HC   _H38    72     1.09618   110.95021    34.20698
   72    66 S   CT   _C15    50     1.53181   113.34510   178.52953
   73    72 S   HC   _H47    81     1.09766   108.08630    56.08475
   74    72 S   HC   _H48    82     1.09656   109.63307   -59.79895
   75    72 S   CT   _C13    48     1.52872   113.49770   177.03740
   76    75 S   HC   _H43    77     1.09520   110.43046    58.86208
   77    75 S   HC   _H44    78     1.09563   109.87336   -59.39559
   78    69 S   CT   _C14    49     1.53366   112.97808   -90.04400
   79    78 S   HC   _H45    79     1.09716   108.51818    60.00503
   80    78 S   HC   _H46    80     1.09688   109.17666   175.75970
   81    75 S   CT   _C8_    43     1.52177   111.36006   179.56524
   82    81 S   HC   _H32    66     1.09443   110.30245    58.23413
   83    81 S   HC   _H33    67     1.09458   110.98352   177.95656
   84    81 S   HC   _H34    68     1.09420   111.03061   -61.52409
   85    78 S   CT   _C12    47     1.53038   114.51099   -62.62880
   86    85 S   HC   _H41    75     1.09548   110.21243    59.51727
   87    85 S   HC   _H42    76     1.09645   109.16039   -58.79687
   88    85 S   C    _C7_    42     1.50884   113.05694  -177.94186
   89    88 S   O    _O22    57     1.22143   126.05181    -3.03925
   90    88 S   OH   _O23    58     1.35791   110.25049   175.14921
   91    90 S   HO   _H56    89     0.98031   111.90039  -178.29452
  12   5   4  12   8   7   3   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
  13   8   2   1   1  11  10   4   4   3   3   7   3   7   3   7
   4   9   4   7   4   3  10   6   7   3  11   6   5   2   1   8
   4   9   5   4   9   5   4   9   5   4   6   5   4   8   5   4
   3   2   1   1   6   4   3   3   2   1   1
    6     2     3     4    10    13     7     8     9     5    11    12  
    3     4    10     5     6  
    4    10     5     6  
   10    16    13     7     8     9     5    11    12    14    15     6  
   11    12     6     7     8     9    10    13  
   10    13     7     8     9    11    12  
    8     9    10  
    9    10  
   10  
   16    17    13    11    12    14    15    18  
   12    14    15    13    16  
   14    15    13    16  
   19    14    15    16    17    18    20  
   15    16    17    18  
   16    17    18  
   17    24    19    21    18    20    22  
   19    18    20  
   23    27    20    24    29    25    26    19    21    22  
   21    20    22    24  
   30    24    29    25    26    28    21    33    22    23    27  
   22    23    24    25    26    27    29  
   23    35    27    30    24    29    25    26    28    31    32  
   27    30    24    28  
   29    25    26    38    39    33    34    27  
   26    33    29  
   33    29  
   36    37    30    28    31    32    35  
   31    32    30    35  
   44    46    38    39    33    40    41    42    43    34  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   40    45    47    41    42    43    34    38    39    44    46    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    49    45    41    42    43    44    46    48    52  
   55    40    47    51    41    42    43    44    46    50  
   47    43    46    50  
   42    44    45    48  
   44    45    48  
   46    47    50  
   52    49    45    53    54    48    57  
   48    49    52  
   50    59    55    62    47    51    56  
   51    50    55  
   64    52    58    49    53    54    57  
   53    54    52    57  
   66    59    55    62    51    60    61    56    63  
   56    55    59    62  
   69    58    65    53    54    57    64  
   54    57    58    64  
   57    58    64  
   62    67    68    60    61    56    63    59    66    72  
   63    59    60    61    62    66  
   64    69    78    58    65    70    71  
   65    64    69  
   62    73    74    67    68    60    61    63    66    72    75  
   61    62    66    67    68    72  
   62    66    67    68    72  
   63    66  
    0  
   69    85    78    65    70    71    79    80  
   70    71    69    78  
   76    77    73    74    67    68    72    75    81  
   68    72    73    74    75  
   72    73    74    75  
   85    78    70    71    86    87    79    80    88  
   71    79    80    78    85  
   79    80    78    85  
   82    83    84    76    77    73    74    75    81  
   74    75    76    77    81  
   75    76    77    81  
   82    83    84    76    77    81  
   77    81    82    83    84  
   81    82    83    84  
   89    90    86    87    79    80    85    88  
   80    85    86    87    88  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   89    90    86    87    91    88  
   87    88    89    90  
   88    89    90  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    2   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    3   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    4   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    5   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    6   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    7   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    8   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    9   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   90   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   656.000  1.250
    1     3   656.000  1.250
    1     4   317.000  1.522
    6     4   367.000  1.471
    6     7   434.000  1.010
    6     8   434.000  1.010
    6     9   434.000  1.010
   22    23   570.000  1.229
   22    27   490.000  1.335
   22    20   317.000  1.522
   18    20   337.000  1.449
   18    16   490.000  1.335
   18    19   434.000  1.010
   35    36   656.000  1.250
   35    37   656.000  1.250
   35    30   317.000  1.522
   27    30   337.000  1.449
   27    28   434.000  1.010
    4    10   268.000  1.529
    4     5   340.000  1.090
   20    24   268.000  1.529
   20    21   340.000  1.090
   30    31   340.000  1.090
   30    32   340.000  1.090
   10    13   268.000  1.529
   10    11   340.000  1.090
   10    12   340.000  1.090
   16    17   570.000  1.229
   16    13   317.000  1.522
   13    14   340.000  1.090
   13    15   340.000  1.090
   24    29   222.000  1.810
   24    25   340.000  1.090
   24    26   340.000  1.090
   29    33   222.000  1.810
   57    64   549.000  1.340
   57    52   317.000  1.510
   57    58   340.000  1.080
   48    44   549.000  1.340
   48    52   317.000  1.510
   48    49   340.000  1.080
   64    69   317.000  1.510
   64    65   340.000  1.080
   44    38   317.000  1.510
   44    45   340.000  1.080
   46    50   549.000  1.340
   46    39   317.000  1.510
   46    47   340.000  1.080
   50    55   317.000  1.510
   50    51   340.000  1.080
   88    85   317.000  1.522
   88    89   570.000  1.229
   88    90   450.000  1.364
   81    75   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   69    78   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   38    33   268.000  1.529
   38    41   340.000  1.090
   38    42   340.000  1.090
   85    78   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   75    72   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   72    66   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   66    59   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   59    55   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   39    33   268.000  1.529
   39    40   570.000  1.307
   39    43   340.000  1.090
   55    62   320.000  1.410
   55    56   340.000  1.090
   33    34   340.000  1.090
   90    91   553.000  0.945
   62    63   553.000  0.945
THET
    1     4     6    80.00000  109.26000
    1     4    10    70.00000  109.69300
    1     4     5    35.00000  109.50000
    6     4    10    80.00000  111.20000
    6     4     5    35.00000  109.50000
   22    27    30    50.00000  121.90000
   22    27    28    35.00000  119.80000
   22    20    18    63.00000  110.10000
   22    20    24    63.00000  111.10000
   22    20    21    35.00000  109.50000
   18    20    24    80.00000  109.70000
   18    20    21    35.00000  109.50000
   18    16    17    80.00000  122.90000
   18    16    13    70.00000  116.60000
   35    30    27    63.00000  110.10000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
    3     1     2    80.00000  126.00000
   37    35    36    80.00000  126.00000
    4     1     2    70.00000  117.00000
    4     1     3    70.00000  117.00000
    4    10    13    58.35000  112.70000
    4    10    11    37.50000  110.70000
    4    10    12    37.50000  110.70000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    29    75.00000  108.68000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   10    13    16    63.00000  111.10000
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   16    18    20    50.00000  121.90000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   13    16    17    80.00000  120.40000
   24    29    33    62.00000   98.90000
   29    33    38    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    34    35.00000  109.50000
   25    24    29    35.00000  109.50000
   26    24    29    35.00000  109.50000
   26    24    25    33.00000  107.80000
    7     6     4    35.00000  109.50000
    8     6     4    35.00000  109.50000
    8     6     7    35.00000  109.50000
    9     6     4    35.00000  109.50000
    9     6     7    35.00000  109.50000
    9     6     8    35.00000  109.50000
   19    18    20    38.00000  118.40000
   19    18    16    35.00000  119.80000
   28    27    30    38.00000  118.40000
    5     4    10    37.50000  110.70000
   21    20    24    37.50000  110.70000
   32    30    31    33.00000  107.80000
   11    10    13    37.50000  110.70000
   12    10    13    37.50000  110.70000
   12    10    11    33.00000  107.80000
   15    13    14    33.00000  107.80000
   57    64    69    70.00000  124.00000
   57    64    65    35.00000  120.00000
   57    52    48    70.00000  110.12100
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   48    44    38    70.00000  124.00000
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   64    69    78    70.00000  112.02700
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   44    38    33    70.00000  112.02700
   44    38    41    35.00000  109.50000
   44    38    42    35.00000  109.50000
   46    50    55    70.00000  124.00000
   46    50    51    35.00000  120.00000
   46    39    33    70.00000  112.02700
   46    39    40    85.00000  110.90400
   46    39    43    35.00000  109.50000
   50    55    59    70.00000  112.02700
   50    55    62    90.00000  110.39200
   50    55    56    35.00000  109.50000
   88    85    78    63.00000  111.10000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   88    90    91    35.00000  113.00000
   81    75    72    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   52    57    64    70.00000  124.00000
   52    48    44    70.00000  124.00000
   69    78    85    58.35000  112.70000
   69    78    79    37.50000  110.70000
   69    78    80    37.50000  110.70000
   38    33    39    58.35000  112.70000
   38    33    34    37.50000  110.70000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   75    72    66    58.35000  112.70000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   72    66    59    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   66    59    55    58.35000  112.70000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   59    55    62    50.00000  109.50000
   59    55    56    37.50000  110.70000
   39    46    50    70.00000  124.00000
   39    33    34    37.50000  110.70000
   55    62    63    55.00000  108.50000
   40    39    33    50.00000  109.50000
   89    88    85    80.00000  120.40000
   90    88    85    70.00000  108.00000
   90    88    89   100.00000  123.32000
   58    57    64    35.00000  120.00000
   58    57    52    35.00000  117.00000
   49    48    44    35.00000  120.00000
   49    48    52    35.00000  117.00000
   65    64    69    35.00000  117.00000
   45    44    38    35.00000  117.00000
   47    46    50    35.00000  120.00000
   47    46    39    35.00000  117.00000
   51    50    55    35.00000  117.00000
   82    81    75    37.50000  110.70000
   83    81    75    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    75    37.50000  110.70000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   54    52    53    33.00000  107.80000
   70    69    78    37.50000  110.70000
   71    69    78    37.50000  110.70000
   71    69    70    33.00000  107.80000
   41    38    33    37.50000  110.70000
   42    38    33    37.50000  110.70000
   42    38    41    33.00000  107.80000
   86    85    78    37.50000  110.70000
   87    85    78    37.50000  110.70000
   87    85    86    33.00000  107.80000
   76    75    72    37.50000  110.70000
   77    75    72    37.50000  110.70000
   77    75    76    33.00000  107.80000
   80    78    79    33.00000  107.80000
   73    72    66    37.50000  110.70000
   74    72    66    37.50000  110.70000
   74    72    73    33.00000  107.80000
   67    66    59    37.50000  110.70000
   68    66    59    37.50000  110.70000
   68    66    67    33.00000  107.80000
   60    59    55    37.50000  110.70000
   61    59    55    37.50000  110.70000
   61    59    60    33.00000  107.80000
   43    39    33    37.50000  110.70000
   43    39    40    45.00000  125.66300
   56    55    62    35.00000  109.50000
PHI
    1     4    10    13  -1.63150  1.0 1.0
    1     4    10    13  -0.43550 -1.0 2.0
    1     4    10    13   0.24500  1.0 3.0
    1     4    10    11  -0.11250  1.0 3.0
    1     4    10    12  -0.11250  1.0 3.0
    6     4    10    13   1.36600  1.0 1.0
    6     4    10    13  -0.11450 -1.0 2.0
    6     4    10    13   0.24250  1.0 3.0
    6     4    10    11   0.19200  1.0 3.0
    6     4    10    12   0.19200  1.0 3.0
   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
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  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
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    16    13    10   1.39750  1.0 1.0
   18    16    13    10  -0.07950 -1.0 2.0
   18    16    13    10  -0.18750  1.0 3.0
   18    16    13    14   0.00000  1.0 1.0
   18    16    13    15   0.00000  1.0 1.0
   23    22    27    30   3.04450 -1.0 2.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    20    18   0.00000  1.0 1.0
   23    22    20    24   0.00000  1.0 1.0
   23    22    20    21   0.00000  1.0 1.0
   27    22    20    18   0.37150  1.0 1.0
   27    22    20    18   1.25400 -1.0 2.0
   27    22    20    18  -0.40250  1.0 3.0
   27    22    20    24   0.93250  1.0 1.0
   27    22    20    24   0.04450 -1.0 2.0
   27    22    20    24   0.17550  1.0 3.0
   27    22    20    21   0.00000  1.0 1.0
    2     1     4     6   0.30150 -1.0 2.0
    2     1     4    10   0.41150 -1.0 2.0
    2     1     4     5   0.00000  1.0 1.0
    3     1     4     6   0.30150 -1.0 2.0
    3     1     4    10   0.41150 -1.0 2.0
    3     1     4     5   0.00000  1.0 1.0
   36    35    30    27   0.00000  1.0 1.0
   36    35    30    31   0.00000  1.0 1.0
   36    35    30    32   0.00000  1.0 1.0
   37    35    30    27   0.00000  1.0 1.0
   37    35    30    31   0.00000  1.0 1.0
   37    35    30    32   0.00000  1.0 1.0
    4    10    13    16  -0.95700  1.0 1.0
    4    10    13    16  -0.18200 -1.0 2.0
    4    10    13    16   0.29450  1.0 3.0
    4    10    13    14   0.15000  1.0 3.0
    4    10    13    15   0.15000  1.0 3.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    22    27    28   2.45000 -1.0 2.0
   20    18    16    17   3.04450 -1.0 2.0
   20    18    16    13   1.15000  1.0 1.0
   20    18    16    13   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
   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
   16    18    20    21   0.00000  1.0 1.0
   17    16    13    10   0.30150 -1.0 2.0
   17    16    13    14   0.00000  1.0 1.0
   17    16    13    15   0.00000  1.0 1.0
   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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
    7     6     4     1   0.17350  1.0 3.0
    7     6     4    10   0.17350  1.0 3.0
    7     6     4     5   0.13050  1.0 3.0
    8     6     4     1   0.17350  1.0 3.0
    8     6     4    10   0.17350  1.0 3.0
    8     6     4     5   0.13050  1.0 3.0
    9     6     4     1   0.17350  1.0 3.0
    9     6     4    10   0.17350  1.0 3.0
    9     6     4     5   0.13050  1.0 3.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    16    17   2.45000 -1.0 2.0
   19    18    16    13   2.45000 -1.0 2.0
   28    27    30    35   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
    5     4    10    13   0.15000  1.0 3.0
    5     4    10    11   0.15000  1.0 3.0
    5     4    10    12   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   12    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
   57    64    69    78   0.09850  1.0 1.0
   57    64    69    78   0.15250 -1.0 2.0
   57    64    69    78  -0.50650  1.0 3.0
   57    64    69    70   0.00000  1.0 1.0
   57    64    69    71   0.00000  1.0 1.0
   48    44    38    33   0.09850  1.0 1.0
   48    44    38    33   0.15250 -1.0 2.0
   48    44    38    33  -0.50650  1.0 3.0
   48    44    38    41   0.00000  1.0 1.0
   48    44    38    42   0.00000  1.0 1.0
   64    57    52    48  -0.28300  1.0 1.0
   64    57    52    48   0.26700 -1.0 2.0
   64    57    52    48  -0.63300  1.0 3.0
   64    57    52    53   0.00000  1.0 1.0
   64    57    52    54   0.00000  1.0 1.0
   64    69    78    85   0.34400  1.0 1.0
   64    69    78    85   0.09450 -1.0 2.0
   64    69    78    85   0.11100  1.0 3.0
   64    69    78    79   0.15000  1.0 3.0
   64    69    78    80   0.15000  1.0 3.0
   44    48    52    57  -0.28300  1.0 1.0
   44    48    52    57   0.26700 -1.0 2.0
   44    48    52    57  -0.63300  1.0 3.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    54   0.00000  1.0 1.0
   44    38    33    29   0.56750  1.0 1.0
   44    38    33    29  -0.07550 -1.0 2.0
   44    38    33    29   0.20000  1.0 3.0
   44    38    33    39   0.34400  1.0 1.0
   44    38    33    39   0.09450 -1.0 2.0
   44    38    33    39   0.11100  1.0 3.0
   44    38    33    34   0.15000  1.0 3.0
   46    50    55    59   0.09850  1.0 1.0
   46    50    55    59   0.15250 -1.0 2.0
   46    50    55    59  -0.50650  1.0 3.0
   46    50    55    62   0.67800  1.0 1.0
   46    50    55    62   0.47050 -1.0 2.0
   46    50    55    62  -0.62500  1.0 3.0
   46    50    55    56   0.00000  1.0 1.0
   46    39    33    29   0.56750  1.0 1.0
   46    39    33    29  -0.07550 -1.0 2.0
   46    39    33    29   0.20000  1.0 3.0
   46    39    33    38   0.34400  1.0 1.0
   46    39    33    38   0.09450 -1.0 2.0
   46    39    33    38   0.11100  1.0 3.0
   46    39    33    34   0.15000  1.0 3.0
   50    46    39    33   0.09850  1.0 1.0
   50    46    39    33   0.15250 -1.0 2.0
   50    46    39    33  -0.50650  1.0 3.0
   50    46    39    40   0.39000  1.0 1.0
   50    46    39    40  -0.05800 -1.0 2.0
   50    46    39    40  -0.55150  1.0 3.0
   50    46    39    43   0.00000  1.0 1.0
   50    55    62    63  -0.07800  1.0 1.0
   50    55    62    63  -0.21500 -1.0 2.0
   50    55    62    63  -0.03150  1.0 3.0
   88    85    78    69  -0.95700  1.0 1.0
   88    85    78    69  -0.18200 -1.0 2.0
   88    85    78    69   0.29450  1.0 3.0
   88    85    78    79  -0.11250  1.0 3.0
   88    85    78    80  -0.11250  1.0 3.0
   81    75    72    66   0.56750  1.0 1.0
   81    75    72    66  -0.07550 -1.0 2.0
   81    75    72    66   0.20000  1.0 3.0
   81    75    72    73   0.15000  1.0 3.0
   81    75    72    74   0.15000  1.0 3.0
   52    57    64    69   7.00000 -1.0 2.0
   52    57    64    65   7.00000 -1.0 2.0
   52    48    44    38   7.00000 -1.0 2.0
   52    48    44    45   7.00000 -1.0 2.0
   85    88    90    91   1.50000  1.0 1.0
   85    88    90    91   2.45000 -1.0 2.0
   75    72    66    59   0.56750  1.0 1.0
   75    72    66    59  -0.07550 -1.0 2.0
   75    72    66    59   0.20000  1.0 3.0
   75    72    66    67   0.15000  1.0 3.0
   75    72    66    68   0.15000  1.0 3.0
   72    66    59    55   0.56750  1.0 1.0
   72    66    59    55  -0.07550 -1.0 2.0
   72    66    59    55   0.20000  1.0 3.0
   72    66    59    60   0.15000  1.0 3.0
   72    66    59    61   0.15000  1.0 3.0
   66    59    55    50   0.34400  1.0 1.0
   66    59    55    50   0.09450 -1.0 2.0
   66    59    55    50   0.11100  1.0 3.0
   66    59    55    62   0.86500  1.0 1.0
   66    59    55    62  -0.17500 -1.0 2.0
   66    59    55    62   0.20800  1.0 3.0
   66    59    55    56   0.15000  1.0 3.0
   59    55    62    63  -0.11600  1.0 1.0
   59    55    62    63  -0.09450 -1.0 2.0
   59    55    62    63   0.21250  1.0 3.0
   39    46    50    55   7.00000 -1.0 2.0
   39    46    50    51   7.00000 -1.0 2.0
   40    39    33    29   0.56750  1.0 1.0
   40    39    33    29  -0.07550 -1.0 2.0
   40    39    33    29   0.20000  1.0 3.0
   40    39    33    38   0.62750  1.0 1.0
   40    39    33    38  -0.30950 -1.0 2.0
   40    39    33    38   0.27300  1.0 3.0
   40    39    33    34   0.23400  1.0 3.0
   89    88    85    78   0.30150 -1.0 2.0
   89    88    85    86   0.00000  1.0 1.0
   89    88    85    87   0.00000  1.0 1.0
   89    88    90    91   0.92200  1.0 1.0
   89    88    90    91   3.74100 -1.0 2.0
   90    88    85    78   0.50000  1.0 1.0
   90    88    85    78   0.27300 -1.0 2.0
   90    88    85    78   0.22500  1.0 3.0
   90    88    85    86   0.00000  1.0 1.0
   90    88    85    87   0.00000  1.0 1.0
   58    57    64    69   7.00000 -1.0 2.0
   58    57    64    65   7.00000 -1.0 2.0
   58    57    52    48   0.00000  1.0 1.0
   58    57    52    53   0.33100  1.0 3.0
   58    57    52    54   0.33100  1.0 3.0
   49    48    44    38   7.00000 -1.0 2.0
   49    48    44    45   7.00000 -1.0 2.0
   49    48    52    57   0.00000  1.0 1.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    54   0.33100  1.0 3.0
   65    64    69    78   0.00000  1.0 1.0
   65    64    69    70   0.33100  1.0 3.0
   65    64    69    71   0.33100  1.0 3.0
   45    44    38    33   0.00000  1.0 1.0
   45    44    38    41   0.33100  1.0 3.0
   45    44    38    42   0.33100  1.0 3.0
   47    46    50    55   7.00000 -1.0 2.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    39    33   0.00000  1.0 1.0
   47    46    39    40   0.00000  1.0 1.0
   47    46    39    43   0.33100  1.0 3.0
   51    50    55    59   0.00000  1.0 1.0
   51    50    55    62   0.00000  1.0 1.0
   51    50    55    56   0.33100  1.0 3.0
   82    81    75    72   0.15000  1.0 3.0
   82    81    75    76   0.15000  1.0 3.0
   82    81    75    77   0.15000  1.0 3.0
   83    81    75    72   0.15000  1.0 3.0
   83    81    75    76   0.15000  1.0 3.0
   83    81    75    77   0.15000  1.0 3.0
   84    81    75    72   0.15000  1.0 3.0
   84    81    75    76   0.15000  1.0 3.0
   84    81    75    77   0.15000  1.0 3.0
   70    69    78    85   0.15000  1.0 3.0
   70    69    78    79   0.15000  1.0 3.0
   70    69    78    80   0.15000  1.0 3.0
   71    69    78    85   0.15000  1.0 3.0
   71    69    78    79   0.15000  1.0 3.0
   71    69    78    80   0.15000  1.0 3.0
   41    38    33    29   0.15000  1.0 3.0
   41    38    33    39   0.15000  1.0 3.0
   41    38    33    34   0.15000  1.0 3.0
   42    38    33    29   0.15000  1.0 3.0
   42    38    33    39   0.15000  1.0 3.0
   42    38    33    34   0.15000  1.0 3.0
   86    85    78    69   0.15000  1.0 3.0
   86    85    78    79   0.15000  1.0 3.0
   86    85    78    80   0.15000  1.0 3.0
   87    85    78    69   0.15000  1.0 3.0
   87    85    78    79   0.15000  1.0 3.0
   87    85    78    80   0.15000  1.0 3.0
   76    75    72    66   0.15000  1.0 3.0
   76    75    72    73   0.15000  1.0 3.0
   76    75    72    74   0.15000  1.0 3.0
   77    75    72    66   0.15000  1.0 3.0
   77    75    72    73   0.15000  1.0 3.0
   77    75    72    74   0.15000  1.0 3.0
   73    72    66    59   0.15000  1.0 3.0
   73    72    66    67   0.15000  1.0 3.0
   73    72    66    68   0.15000  1.0 3.0
   74    72    66    59   0.15000  1.0 3.0
   74    72    66    67   0.15000  1.0 3.0
   74    72    66    68   0.15000  1.0 3.0
   67    66    59    55   0.15000  1.0 3.0
   67    66    59    60   0.15000  1.0 3.0
   67    66    59    61   0.15000  1.0 3.0
   68    66    59    55   0.15000  1.0 3.0
   68    66    59    60   0.15000  1.0 3.0
   68    66    59    61   0.15000  1.0 3.0
   60    59    55    50   0.15000  1.0 3.0
   60    59    55    62   0.23400  1.0 3.0
   60    59    55    56   0.15000  1.0 3.0
   61    59    55    50   0.15000  1.0 3.0
   61    59    55    62   0.23400  1.0 3.0
   61    59    55    56   0.15000  1.0 3.0
   43    39    33    29   0.15000  1.0 3.0
   43    39    33    38   0.15000  1.0 3.0
   43    39    33    34   0.15000  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
IPHI
    3     4     1     2  10.50000 -1.0 2.0
   27    20    22    23  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   18    13    16    17  10.50000 -1.0 2.0
   52    58    57    64  15.00000 -1.0 2.0
   52    49    48    44  15.00000 -1.0 2.0
   69    65    64    57  15.00000 -1.0 2.0
   38    45    44    48  15.00000 -1.0 2.0
   39    47    46    50  15.00000 -1.0 2.0
   55    51    50    46  15.00000 -1.0 2.0
   85    90    88    89  10.50000 -1.0 2.0
END
