* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    206    323     610
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02024   106.63080   -16.32640
    3     1 S   H    _H1_     3     1.02123    57.23411    85.56243
    4     1 S   H    _H2_     4     1.02128    54.88639  -117.78031
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     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_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.87242    96.35534   161.85573
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C18    37     1.55905   107.92086   -80.00818
   38    37 S   HC   _H47    38     1.10188   108.27416    49.65927
   39    33 S   CT   _C22    91     1.56616   109.73246   156.88204
   40    33 S   OH   _O40   110     1.42742   105.51333    37.31751
   41    40 S   HO   _H77   111     0.96940   106.36743  -176.05633
   42    37 S   CO4  _C10    39     1.54177   113.81964   162.89768
   43    42 S   O    _O33    40     1.22885   122.36516   -37.22746
   44    39 S   OH   _O39    92     1.43657   109.27912   -53.17732
   45    44 S   HO   _H76    93     0.96668   105.95430   -60.47664
   46    42 S   CA   _C5_    41     1.48512   119.32892   147.82057
   47    46 S   CA   _C6_    42     1.39924   120.42064     5.44924
   48    47 S   CA   _C7_    43     1.40238   119.16496   178.06852
   49    47 S   CT   _C16    75     1.50038   121.12391    -0.29074
   50    49 S   HC   _H43    76     1.09762   108.23562    90.52998
   51    49 S   HC   _H44    77     1.09592   111.45804  -151.81511
   52    48 S   CA   _C4_    44     1.39463   120.59066     1.24427
   53    52 S   HA   _H42    45     1.08881   120.05557   179.66254
   54    48 S   NE   _N30    66     1.41526   121.36661  -178.39355
   55    37 S   CT   _C20    78     1.54165   111.42175   -69.38116
   56    55 S   HC   _H49    79     1.09802   108.98012    65.34192
   57    52 S   CA   _C8_    46     1.39158   119.94884    -0.41871
   58    54 S   CT   _C24    67     1.44663   120.25144   -90.34632
   59    58 S   HC   _H51    68     1.09325   110.10377  -179.96574
   60    58 S   HC   _H52    69     1.09338   110.25822    60.01759
   61    58 S   HC   _H53    70     1.09395   110.22782   -60.02270
   62    54 S   CT   _C25    71     1.44687   120.24419    89.02444
   63    62 S   HC   _H54    72     1.09332   110.05864   180.00000
   64    62 S   HC   _H55    73     1.09317   110.26579    60.00699
   65    62 S   HC   _H56    74     1.09315   110.26834   -60.01203
   66    55 S   CT   _C17    80     1.53738   112.26110   -52.70475
   67    66 S   HC   _H45    81     1.09765   108.66457   175.21889
   68    66 S   HC   _H46    82     1.09570   110.29154   -69.22160
   69    46 S   CA   _C9_    47     1.40126   119.43405  -175.15305
   70    57 S   N    _N29    50     1.39773   119.10395   179.75292
   71    70 S   H    _H73    51     1.02578   116.15380   179.96044
   72    66 S   CT   _C21    83     1.54502   112.87944    54.45339
   73    72 S   HC   _H50    84     1.09903   106.93330    65.02827
   74    69 S   OH   _O37    48     1.36611   121.95490     2.04210
   75    74 S   HO   _H74    49     0.96806   110.01016     0.04846
   76    70 S   C    _C15    52     1.40305   128.14336     0.07913
   77    76 S   O    _O36    53     1.22720   126.72542     0.51586
   78    72 S   CT   _C19    85     1.54688   110.13592  -179.67374
   79    78 S   HC   _H48    86     1.10435   106.71885   -43.89208
   80    76 S   CT1  _C30    54     1.51563   111.07517   179.96044
   81    80 S   HC   _H69    55     1.09498   109.79128    29.97542
   82    80 S   HC   _H70    56     1.09426   109.00701   -89.13047
   83    78 S   CM   _C12    87     1.50953   112.05515    74.84656
   84    78 S   NT   _N31   101     1.46700   111.62068  -159.93034
   85    80 S   NT   _N32    57     1.44126   109.92079   150.50522
   86    83 S   CM   _C11    88     1.34775   123.43055    23.68381
   87    83 S   OH   _O38    99     1.38265   111.78411  -154.58697
   88    87 S   HO   _H75   100     0.96066   109.56134    -1.78564
   89    84 S   CT   _C26   102     1.46122   110.24183  -165.81125
   90    89 S   HC   _H57   103     1.09328   110.08069   179.96044
   91    89 S   HC   _H58   104     1.09374   110.21923    59.98803
   92    89 S   HC   _H59   105     1.09290   110.22126   -60.01976
   93    84 S   CT   _C27   106     1.46030   110.29660    71.70973
   94    93 S   HC   _H60   107     1.09283   110.14396   180.00000
   95    93 S   HC   _H61   108     1.09341   110.20544    59.93274
   96    93 S   HC   _H62   109     1.09335   110.22760   -60.01374
   97    85 S   CT   _C28    58     1.47057   111.21588   -80.03704
   98    97 S   HC   _H63    59     1.09317   110.08758    56.55157
   99    97 S   HC   _H64    60     1.09314   110.25374   -63.42741
  100    97 S   HC   _H65    61     1.09301   110.25188   176.54668
  101    85 S   CT   _C29    62     1.47013   111.25472   157.53443
  102   101 S   HC   _H66    63     1.09354   110.05516   -56.62046
  103   101 S   HC   _H67    64     1.09339   110.21676  -176.58511
  104   101 S   HC   _H68    65     1.09294   110.28419    63.40777
  105    86 S   CO4  _C13    89     1.50296   119.89902     4.51952
  106   105 S   O    _O34    90     1.23282   118.20737   169.56938
  107    86 S   C    _C14    94     1.47526   121.03124  -176.84526
  108   107 S   O    _O35    95     1.22516   121.51691   -60.02478
  109   107 S   N    _N28    96     1.37332   113.18241   120.02455
  110   109 S   H    _H71    97     1.01498   118.57145    -0.02798
  111   109 S   H    _H72    98     1.01509   122.85001  -179.97202
  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  15  18
  11   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1
   1   9   4   3   5   8   3  11   5   1   1   7   4  16   6  11
   4   3  11  10   8   9   3   1   7   3   2   1   3   2   1   1
   7   3   2   1   3   2   1   1   4   1   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    55    72   105    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    49    55    56    66    72    73    78    86   105   106    39    44    45    40    41  
   35    36  
   36  
    0  
   38    42    43    46    47    69    49    50    51    55    56    66    67    68    72   105    39    44    40    41  
   42    43    46    49    55    56    66    39    40  
   44    45   107    84    40    41    42    55    66    67    68    72    73    78    79    83    86   105   106  
   41    42    44    55    72   105  
    0  
   43    46    47    48    57    69    74    49    55    56    66  
   46    47    69    55  
   45    66    72    73    78    86   105   106  
   72   105  
   47    48    52    57    69    74    75    70    54    49    50    51    55  
   48    52    53    57    69    74    54    58    62    49    50    51    55    56    66  
   52    53    57    69    70    54    58    59    60    61    62    63    64    65    49    50    51    55  
   50    51    55    56    66    67    68    72    52    54    69  
   51    55    56    66  
   55    56    66  
   53    57    69    74    70    71    76    54    58    62  
   57    69    70    54  
   58    59    60    61    62    63    64    65    57  
   56    66    67    68    72    73    78  
   66    67    68    72  
   69    74    75    70    71    76    77    80  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    72    73    78    79    83   105    84  
   68    72    73    78  
   72    73    78  
   74    75    70    71    76  
   71    76    77    80    81    82    85    74  
   76    77    80  
   73    78    79    83    86   105   106    87    84    89    93  
   78    79    83   105    84  
   75  
    0  
   77    80    81    82    85    97   101  
   80    81    82    85  
   79    83    86   105   107    87    88    84    89    90    91    92    93    94    95    96  
   83    86    87    84    89    93  
   81    82    85    97    98    99   100   101   102   103   104  
   82    85    97   101  
   85    97   101  
   86   105   106   107   108   109    87    88    84    89    93  
   89    90    91    92    93    94    95    96    86    87  
   97    98    99   100   101   102   103   104  
  105   106   107   108   109   110   111    87    88  
   88   105   107  
    0  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    0  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104  
  103   104  
  104  
    0  
  106   107   108   109  
  107  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    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   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5000   0.0660  -0.060000   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   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   78   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   84   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   85   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   86   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   87   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.030000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  109   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  110   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  111   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
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    55   268.000  1.529
   42    43   570.000  1.229
   42    46   310.000  1.470
   46    47   469.000  1.400
   46    69   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    52   469.000  1.400
   48    54   481.000  1.340
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    69   469.000  1.400
   57    70   360.000  1.404
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   434.000  1.010
   70    76   490.000  1.335
   76    77   570.000  1.229
   76    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    85   305.000  1.457
   85    97   382.000  1.448
   85   101   382.000  1.448
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   54    58   382.000  1.448
   54    62   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    39   268.000  1.529
   78    79   340.000  1.090
   78    83   317.000  1.510
   78    84   382.000  1.448
   83    86   549.000  1.340
   83    87   510.000  1.338
   86   105   320.000  1.462
   86   107   410.000  1.444
  105   106   570.000  1.229
  105    39   317.000  1.522
   39    44   320.000  1.410
   44    45   553.000  0.945
  107   108   570.000  1.229
  107   109   490.000  1.335
  109   110   434.000  1.010
  109   111   434.000  1.010
   87    88   553.000  0.945
   84    89   382.000  1.448
   84    93   382.000  1.448
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   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    55    58.35000  112.70000
   33    39    72    58.35000  112.70000
   33    39   105    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    55    49    58.35000  112.70000
   37    55    56    37.50000  110.70000
   37    55    66    58.35000  112.70000
   42    37    38    35.00000  109.50000
   42    46    47    60.00000  119.52600
   42    46    69    60.00000  119.52600
   46    42    43    75.00000  123.78400
   46    47    48    63.00000  120.00000
   46    47    49    70.00000  120.00000
   46    69    57    63.00000  120.00000
   46    69    74    70.00000  120.00000
   47    48    52    63.00000  120.00000
   47    48    54    70.00000  120.10000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    55    70.00000  112.17500
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    54    58    50.00000  120.00000
   48    54    62    50.00000  120.00000
   52    57    69    63.00000  120.00000
   52    57    70    70.00000  119.01900
   57    52    53    35.00000  120.00000
   57    69    74    70.00000  120.00000
   57    70    71    45.00000  118.23600
   57    70    76    65.00000  121.96500
   69    46    47    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    57    69    70.00000  119.01900
   70    76    77    80.00000  122.90000
   70    76    80    70.00000  116.60000
   76    70    71    35.00000  119.80000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    85    75.00000  111.54000
   80    76    77    80.00000  120.40000
   80    85    97    51.80000  107.20000
   80    85   101    51.80000  107.20000
   82    80    81    33.00000  107.80000
   85    80    81    50.00000  109.55000
   85    80    82    50.00000  109.55000
   85    97    98    35.00000  109.50000
   85    97    99    35.00000  109.50000
   85    97   100    35.00000  109.50000
   85   101   102    35.00000  109.50000
   85   101   103    35.00000  109.50000
   85   101   104    35.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    85    97    51.80000  107.20000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   54    48    52    70.00000  120.10000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    58    50.00000  115.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   49    47    48    70.00000  120.00000
   49    55    56    37.50000  110.70000
   49    55    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    37    38    37.50000  110.70000
   55    37    42    63.00000  111.10000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    72    58.35000  112.70000
   66    55    56    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    78    58.35000  112.70000
   66    72    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    83    70.00000  112.02700
   72    78    84    56.20000  109.47000
   72    39   105    63.00000  111.10000
   72    39    44    50.00000  109.50000
   78    72    73    37.50000  110.70000
   78    83    86    70.00000  124.00000
   78    83    87    90.00000  109.34000
   78    84    89    51.80000  107.20000
   78    84    93    51.80000  107.20000
   83    78    79    35.00000  109.50000
   83    86   105    65.00000  118.96000
   83    86   107    70.00000  118.70000
   83    87    88    70.00000  107.45700
   86   105   106    80.00000  123.72100
   86   105    39    65.00000  118.62400
   86   107   108    80.00000  125.30000
   86   107   109    80.00000  111.56200
  105    39    44    90.00000  109.61100
   39    33    37    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    72    78    58.35000  112.70000
   39   105   106    80.00000  120.40000
   39    44    45    55.00000  108.50000
  107    86   105    55.00000  123.68000
  107   109   110    35.00000  119.80000
  107   109   111    35.00000  119.80000
  109   107   108    80.00000  122.90000
  111   109   110    35.00000  120.00000
   87    83    86    80.00000  121.38400
   84    78    79    35.00000  109.50000
   84    78    83    75.00000  110.70900
   84    89    90    35.00000  109.50000
   84    89    91    35.00000  109.50000
   84    89    92    35.00000  109.50000
   84    93    94    35.00000  109.50000
   84    93    95    35.00000  109.50000
   84    93    96    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    84    89    51.80000  107.20000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   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
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   39    72    78    84  -0.84100 -1.0 2.0
  107    86   105   106   2.50000 -1.0 2.0
  107    86   105    39   1.50000 -1.0 2.0
  108   107   109   110   2.45000 -1.0 2.0
  108   107   109   111   2.45000 -1.0 2.0
   87    83    86   105   7.00000 -1.0 2.0
   87    83    86   107   7.00000 -1.0 2.0
   84    78    83    86   0.90200  1.0 1.0
   84    78    83    86   0.57900 -1.0 2.0
   84    78    83    86  -0.62100  1.0 3.0
   84    78    83    87   0.09700  1.0 1.0
   84    78    83    87   0.15600 -1.0 2.0
   84    78    83    87  -0.50800  1.0 3.0
   89    84    93    94   0.28000  1.0 3.0
   89    84    93    95   0.28000  1.0 3.0
   89    84    93    96   0.28000  1.0 3.0
   93    84    89    90   0.28000  1.0 3.0
   93    84    89    91   0.28000  1.0 3.0
   93    84    89    92   0.28000  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    55   0.86500  1.0 1.0
   40    33    37    55  -0.17500 -1.0 2.0
   40    33    37    55   0.20800  1.0 3.0
   40    33    39    72   0.86500  1.0 1.0
   40    33    39    72  -0.17500 -1.0 2.0
   40    33    39    72   0.20800  1.0 3.0
   40    33    39   105  -0.09450  1.0 1.0
   40    33    39   105  -1.12950 -1.0 2.0
   40    33    39   105   0.54000  1.0 3.0
   40    33    39    44   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
   47    69    46    42   4.00000 -1.0 2.0
   48    49    47    46   4.00000 -1.0 2.0
   52    54    48    47   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   69    70    57    52   4.00000 -1.0 2.0
   57    74    69    46   4.00000 -1.0 2.0
   71    76    70    57   1.00000 -1.0 2.0
   70    80    76    77  10.50000 -1.0 2.0
   62    48    54    58   1.00000 -1.0 2.0
   78    87    83    86   1.10000 -1.0 2.0
  105   107    86    83   1.10000 -1.0 2.0
   86    39   105   106  10.50000 -1.0 2.0
   86   109   107   108  10.50000 -1.0 2.0
  111   107   109   110   1.00000 -1.0 2.0
END
