* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    203    333     611
    1     0 S   NP   _N1_     1    28.85269    95.75666   -17.84554
    2     1 S   H    _HN1     2     1.02954    88.79906    22.11279
    3     1 S   H    _H1_     3     1.02828    51.85325   135.02627
    4     1 S   H    _H2_     4     1.02778    68.55155   -88.19466
    5     1 S   CT   _CA1     5     1.50153   158.40036   175.33931
    6     5 S   HC   _HA1     6     1.09573   105.18107    26.28724
    7     5 S   CO3  _C1_     7     1.53822   112.36528   -93.90209
    8     7 S   O2Z  _O11     8     1.26388   114.95904   -41.72009
    9     7 S   O2Z  _O12     9     1.26236   114.91653   137.17172
   10     5 S   CT   _CB1    10     1.53069   107.39960   144.28424
   11    10 S   HC   HB11    11     1.09831   109.41540   -48.78374
   12    10 S   HC   HB12    12     1.09822   110.39282    67.82621
   13    10 S   CT   _CG1    13     1.53006   112.67796  -169.78140
   14    13 S   HC   HG11    14     1.09602   110.50383   -64.33103
   15    13 S   HC   HG12    15     1.09657   109.94685    54.94746
   16    13 S   C    _CD1    16     1.51837   112.20816   175.35928
   17    16 S   O    _OE1    17     1.22743   123.26188     2.16356
   18    16 S   N    _N2_    18     1.38630   111.68575  -178.18900
   19    18 S   H    _HN2    19     1.01593   119.01243     1.91489
   20    18 S   CT1  _CA2    20     1.46359   123.40114  -178.97512
   21    20 S   HC   _HA2    21     1.09743   109.32445    -8.39101
   22    20 S   C    _C2_    22     1.53385   108.55897  -123.94337
   23    22 S   O    _O2_    23     1.23027   122.38944  -148.80965
   24    20 S   CT   _CB2    32     1.53601   111.33230   113.52567
   25    24 S   HC   HB21    33     1.09434   108.97162    56.67714
   26    24 S   HC   HB22    34     1.09335   110.16687   175.46888
   27    22 S   N    _N3_    24     1.38375   113.49033    38.77375
   28    27 S   H    _HN3    25     1.01638   119.48478    -3.71436
   29    24 S   S    _SG2    35     1.82916   110.53588   -64.43897
   30    27 S   CT   _CA3    26     1.45279   123.10914   176.90763
   31    30 S   HC   HA31    27     1.09553   107.53794   -63.52002
   32    30 S   HC   HA32    28     1.09560   107.92991    52.87776
   33    29 S   CT   _C22    36     1.87936   102.31240   168.44060
   34    30 S   CO3  _C3_    29     1.52926   114.15534   174.85867
   35    34 S   O2Z  _O31    30     1.26365   116.07419    -0.58115
   36    34 S   O2Z  _O32    31     1.26432   114.40582   179.47586
   37    33 S   CT   _C13    37     1.56359   108.09708  -150.98454
   38    37 S   HC   _H3_    38     1.10030   107.20150   174.20424
   39    33 S   CT   _C21    67     1.56859   111.63903    87.73470
   40    33 S   OH   _O35   105     1.43105   109.16941   -32.46243
   41    40 S   HO   _H15   106     0.97262   107.46153   -58.53754
   42    37 S   CO4  _C12    39     1.53274   112.09541    60.87674
   43    42 S   O    _O33    40     1.23069   121.25986    39.93282
   44    39 S   OH   _O36    68     1.43461   108.06901   -56.91889
   45    44 S   HO   _H16    69     0.97389   108.30342   171.91750
   46    42 S   CA   _C11    41     1.48843   119.86635  -142.17228
   47    46 S   CA   _C6_    42     1.41029   119.87199   -12.73394
   48    47 S   CA   _C7_    43     1.40900   117.84259  -178.26765
   49    48 S   HA   _H10    44     1.08576   121.55752   178.89465
   50    47 S   CT   _C5_    52     1.52883   120.40244     0.79500
   51    48 S   CA   _C8_    45     1.39613   121.61113    -1.34523
   52    51 S   HA   _H11    46     1.08641   119.98303  -179.45285
   53    37 S   CT   _C14    53     1.54736   112.83818   -65.86284
   54    53 S   HC   _H4_    54     1.09919   109.76530    61.84922
   55    50 S   CT   _C4_    99     1.54000   113.81933   160.55209
   56    55 S   HC   _H7_   100     1.09508   111.65308   176.65274
   57    55 S   HC   _H8_   101     1.09596   111.67417    61.04304
   58    55 S   HC   _H9_   102     1.09494   111.83185   -61.11320
   59    50 S   OH   _O40   103     1.43324   108.15464   -81.75996
   60    59 S   HO   _H35   104     0.97270   108.19473   -46.73299
   61    51 S   CA   _C9_    47     1.38695   120.02698     0.45067
   62    61 S   HA   _H12    48     1.08682   119.91115  -179.63738
   63    53 S   CT   _C15    55     1.53874   109.81158   -55.30194
   64    63 S   HC   _H13    56     1.09648   109.48967   172.56808
   65    63 S   HC   _H14    57     1.09474   108.38884   -71.80934
   66    46 S   CA   _C10    49     1.40852   120.11407   167.71422
   67    63 S   CT   _C16    58     1.55204   113.91432    53.06839
   68    67 S   HC   _H5_    59     1.09490   105.51352    65.64551
   69    66 S   OH   _O39    50     1.36956   123.70278    -1.19894
   70    69 S   HO   _H34    51     0.97294   109.09950     3.15691
   71    67 S   CT   _C17    60     1.56965   110.68097  -178.10617
   72    71 S   HC   _H6_    61     1.10304   106.00953   -52.65645
   73    71 S   CMA  _C18    62     1.55655   107.86523    64.18740
   74    73 S   OM   _O38    63     1.26754   110.81421  -141.07709
   75    71 S   NT   _N6_    90     1.50317   112.05631  -169.47111
   76    73 S   CM   _C19    64     1.35753   119.04317    35.55026
   77    75 S   CT   _C29    91     1.46858   113.32584  -173.48368
   78    77 S   HC   _H28    92     1.09685   110.60607  -177.10870
   79    77 S   HC   _H29    93     1.09442   111.48635    66.63045
   80    77 S   HC   _H30    94     1.09582   112.22041   -56.59949
   81    75 S   CT   _C30    95     1.47193   111.72921    64.50135
   82    81 S   HC   _H31    96     1.09669   110.66649   176.89562
   83    81 S   HC   _H32    97     1.09578   112.03417    56.23324
   84    81 S   HC   _H33    98     1.09311   111.93580   -66.41758
   85    76 S   CO4  _C20    65     1.49985   122.88139    -0.20174
   86    85 S   O    _O34    66     1.23231   118.30689   167.21196
   87    76 S   C    _C23    70     1.50050   119.20300  -179.14499
   88    87 S   O    _O37    71     1.22702   121.10240  -118.11416
   89    87 S   N    _N4_    72     1.38227   112.75039    65.12618
   90    89 S   H    _H17    73     1.01489   118.91304    -4.03905
   91    89 S   CT   _C24    74     1.44745   123.39580   174.76363
   92    91 S   HC   _H18    75     1.09573   108.45589    25.55000
   93    91 S   HC   _H19    76     1.09596   107.74590   142.64146
   94    91 S   NT   _N5_    77     1.45914   109.52925   -94.83960
   95    94 S   CT   _C25    78     1.46338   111.89799   175.09236
   96    95 S   HC   _H20    79     1.09769   111.64822    48.24838
   97    95 S   HC   _H21    80     1.09459   112.18758   -73.92882
   98    95 S   CT   _C26    81     1.52070   103.00466   165.99984
   99    98 S   HC   _H22    82     1.09464   111.59857  -147.38696
  100    98 S   HC   _H23    83     1.09642   110.75627    92.43413
  101    98 S   CT   _C27    84     1.52470   105.10116   -26.01374
  102   101 S   HC   _H24    85     1.09631   109.79879   120.49955
  103   101 S   HC   _H25    86     1.09474   111.71140  -119.88575
  104    94 S   CT   _C28    87     1.46477   113.60062   -66.45419
  105   104 S   HC   _H26    88     1.09458   112.45951    75.95851
  106   104 S   HC   _H27    89     1.09755   111.67175   -46.41474
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  20   2   1   1  20   9  19   6   1  11   4   8   2  13  17  10
   4  14   5   3  13   6   6   3   2   1   2   1   4   2   9   4
   3   2  11   5   1   1  15   6  10   4   9   7   7   3   2   1
   3   2   1   1   4   1   7   3   7   4  11   4   3  12  11   6
   5   8   5   4   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    67    85    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    50    53    54    63    67    68    71    76    85    86    39    44    45    40    41  
   35    36  
   36  
    0  
   38    42    43    46    47    66    50    53    54    63    64    65    67    85    39    44    55    59    40    41  
   42    43    46    50    53    54    63    39    40  
   44    45    87    75    40    41    42    53    63    64    65    67    68    71    72    73    76    85    86  
   41    42    44    53    67    85  
    0  
   43    46    47    48    61    66    69    50    53    54    63  
   46    47    66    53  
   45    63    67    68    71    76    85    86  
   67    85  
   47    48    49    51    61    62    66    69    70    50    53    55    59  
   48    49    51    52    61    66    69    50    53    54    63    55    56    57    58    59    60  
   49    51    52    61    62    66    50    53    55    59  
   51    52    61    50  
   53    54    63    64    65    67    55    56    57    58    59    60    51    66  
   52    61    62    66    69  
   61    62    66  
   54    63    64    65    67    68    71    55    56    57    58    59    60  
   63    64    65    67    55    59  
   56    57    58    59    60    63  
   57    58    59  
   58    59  
   59  
   60    63  
    0  
   62    66    69    70  
   66    69  
   64    65    67    68    71    72    73    85    75  
   65    67    68    71  
   67    68    71  
   69    70  
   68    71    72    73    74    76    85    86    75    77    81  
   71    72    73    85    75  
   70  
    0  
   72    73    74    76    85    87    75    77    78    79    80    81    82    83    84  
   73    74    76    75    77    81  
   74    76    85    86    87    88    89    75    77    81  
   76    85    87    75  
   77    78    79    80    81    82    83    84    76  
   85    86    87    88    89    90    91  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91    92    93    94    95   104  
   91    92    93    94  
   92    93    94    95    96    97    98   101   104   105   106  
   93    94    95   104  
   94    95   104  
   95    96    97    98    99   100   101   102   103   104   105   106  
   96    97    98    99   100   101   102   103   104   105   106  
   97    98    99   100   101   104  
   98    99   100   101   104  
   99   100   101   102   103   104   105   106  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106  
  105   106  
  106  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   74   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   75   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   76   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   89   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   90   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   91   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   95   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0150   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   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    42   317.000  1.522
   37    53   268.000  1.529
   42    43   570.000  1.229
   42    46   310.000  1.470
   46    47   469.000  1.400
   46    66   469.000  1.400
   47    48   469.000  1.400
   47    50   317.000  1.510
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    69   450.000  1.364
   69    70   553.000  0.945
   50    53   268.000  1.529
   50    55   268.000  1.529
   50    59   320.000  1.410
   53    54   340.000  1.090
   53    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    39   268.000  1.529
   71    72   340.000  1.090
   71    73   270.000  1.512
   71    75   382.000  1.448
   73    74   745.000  1.250
   73    76   465.000  1.376
   76    85   320.000  1.462
   76    87   410.000  1.444
   85    86   570.000  1.229
   85    39   317.000  1.522
   39    44   320.000  1.410
   44    45   553.000  0.945
   87    88   570.000  1.229
   87    89   490.000  1.335
   89    90   434.000  1.010
   89    91   337.000  1.449
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   382.000  1.448
   94    95   382.000  1.448
   94   104   382.000  1.448
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
   75    77   382.000  1.448
   75    81   382.000  1.448
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   553.000  0.945
   40    41   553.000  0.945
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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    37    53    58.35000  112.70000
   33    39    67    58.35000  112.70000
   33    39    85    63.00000  111.10000
   33    39    44    50.00000  109.50000
   33    40    41    55.00000  108.50000
   37    42    43    80.00000  120.40000
   37    42    46    65.00000  115.47100
   37    53    50    58.35000  112.70000
   37    53    54    37.50000  110.70000
   37    53    63    58.35000  112.70000
   42    37    38    35.00000  109.50000
   42    46    47    60.00000  119.52600
   42    46    66    60.00000  119.52600
   46    42    43    75.00000  123.78400
   46    47    48    63.00000  120.00000
   46    47    50    70.00000  120.00000
   46    66    61    63.00000  120.00000
   46    66    69    70.00000  120.00000
   47    48    49    35.00000  120.00000
   47    48    51    63.00000  120.00000
   47    50    53    70.00000  112.17500
   47    50    55    70.00000  112.17500
   47    50    59    90.00000  112.51600
   48    51    52    35.00000  120.00000
   48    51    61    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    61    62    35.00000  120.00000
   51    61    66    63.00000  120.00000
   61    51    52    35.00000  120.00000
   61    66    69    70.00000  120.00000
   66    46    47    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    69    70    35.00000  113.00000
   50    47    48    70.00000  120.00000
   50    53    54    37.50000  110.70000
   50    53    63    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   50    59    60    55.00000  108.50000
   53    37    38    37.50000  110.70000
   53    37    42    63.00000  111.10000
   53    63    64    37.50000  110.70000
   53    63    65    37.50000  110.70000
   53    63    67    58.35000  112.70000
   63    53    54    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    39    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    70.00000  112.02700
   67    71    75    56.20000  109.47000
   67    39    85    63.00000  111.10000
   67    39    44    50.00000  109.50000
   71    67    68    37.50000  110.70000
   71    73    74    85.00000  112.85300
   71    73    76    65.00000  122.18000
   71    75    77    51.80000  107.20000
   71    75    81    51.80000  107.20000
   73    71    72    45.00000  110.52000
   73    76    85    60.00000  125.92000
   73    76    87    60.00000  120.04000
   76    73    74    65.00000  137.10300
   76    85    86    80.00000  123.72100
   76    85    39    65.00000  118.62400
   76    87    88    80.00000  125.30000
   76    87    89    80.00000  111.56200
   85    39    44    90.00000  109.61100
   39    33    37    58.35000  112.70000
   39    67    68    37.50000  110.70000
   39    67    71    58.35000  112.70000
   39    85    86    80.00000  120.40000
   39    44    45    55.00000  108.50000
   87    76    85    55.00000  123.68000
   87    89    90    35.00000  119.80000
   87    89    91    50.00000  121.90000
   89    87    88    80.00000  122.90000
   89    91    92    35.00000  109.50000
   89    91    93    35.00000  109.50000
   89    91    94    80.00000  116.76000
   91    89    90    38.00000  118.40000
   91    94    95    51.80000  107.20000
   91    94   104    51.80000  107.20000
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95    96    35.00000  109.50000
   94    95    97    35.00000  109.50000
   94    95    98    56.20000  109.47000
   94   104   101    56.20000  109.47000
   94   104   105    35.00000  109.50000
   94   104   106    35.00000  109.50000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104    94    95    51.80000  107.20000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    75.00000  110.70900
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    75    77    51.80000  107.20000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   55    50    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    50    53    50.00000  109.50000
   59    50    55    50.00000  109.50000
   40    33    37    50.00000  109.50000
   40    33    39    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
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  104    94    95    97   0.28000  1.0 3.0
  104    94   -95    98   0.23450  1.0 1.0
  104    94   -95    98   0.02050 -1.0 2.0
  104    94   -95    98   0.25250  1.0 3.0
   75    71    73    74   0.09700  1.0 1.0
   75    71    73    74   0.15600 -1.0 2.0
   75    71    73    74  -0.50800  1.0 3.0
   75    71    73    76   0.90200  1.0 1.0
   75    71    73    76   0.57900 -1.0 2.0
   75    71    73    76  -0.62100  1.0 3.0
   77    75    81    82   0.28000  1.0 3.0
   77    75    81    83   0.28000  1.0 3.0
   77    75    81    84   0.28000  1.0 3.0
   81    75    77    78   0.28000  1.0 3.0
   81    75    77    79   0.28000  1.0 3.0
   81    75    77    80   0.28000  1.0 3.0
   55    50    53    37   0.56750  1.0 1.0
   55    50    53    37  -0.07550 -1.0 2.0
   55    50    53    37   0.20000  1.0 3.0
   55    50    53    54   0.15000  1.0 3.0
   55    50    53    63   0.56750  1.0 1.0
   55    50    53    63  -0.07550 -1.0 2.0
   55    50    53    63   0.20000  1.0 3.0
   55    50    59    60  -0.11600  1.0 1.0
   55    50    59    60  -0.09450 -1.0 2.0
   55    50    59    60   0.21250  1.0 3.0
   59    50    53    37   0.86500  1.0 1.0
   59    50    53    37  -0.17500 -1.0 2.0
   59    50    53    37   0.20800  1.0 3.0
   59    50    53    54   0.23400  1.0 3.0
   59    50    53    63   0.86500  1.0 1.0
   59    50    53    63  -0.17500 -1.0 2.0
   59    50    53    63   0.20800  1.0 3.0
   59    50    55    56   0.23400  1.0 3.0
   59    50    55    57   0.23400  1.0 3.0
   59    50    55    58   0.23400  1.0 3.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    42  -0.09450  1.0 1.0
   40    33    37    42  -1.12950 -1.0 2.0
   40    33    37    42   0.54000  1.0 3.0
   40    33    37    53   0.86500  1.0 1.0
   40    33    37    53  -0.17500 -1.0 2.0
   40    33    37    53   0.20800  1.0 3.0
   40    33    39    67   0.86500  1.0 1.0
   40    33    39    67  -0.17500 -1.0 2.0
   40    33    39    67   0.20800  1.0 3.0
   40    33    39    85  -0.09450  1.0 1.0
   40    33    39    85  -1.12950 -1.0 2.0
   40    33    39    85   0.54000  1.0 3.0
   40    33    39    44   3.75450  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
   37    46    42    43  10.50000 -1.0 2.0
   47    66    46    42   4.00000 -1.0 2.0
   48    50    47    46   4.00000 -1.0 2.0
   51    49    48    47   1.10000 -1.0 2.0
   61    52    51    48   1.10000 -1.0 2.0
   66    62    61    51   1.10000 -1.0 2.0
   61    69    66    46   4.00000 -1.0 2.0
   71    74    73    76   1.10000 -1.0 2.0
   85    87    76    73   1.10000 -1.0 2.0
   76    39    85    86  10.50000 -1.0 2.0
   76    89    87    88  10.50000 -1.0 2.0
   90    87    89    91   1.00000 -1.0 2.0
END
