* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    214    353     649
    1     0 S   NP   _N1_     1    28.23451    96.79109   -24.25287
    2     1 S   H    _HN1     2     1.02836    31.39069   159.47708
    3     1 S   H    _H1_     3     1.02778   112.48186  -112.82208
    4     1 S   H    _H2_     4     1.02957    76.35226    -8.35517
    5     1 S   CT   _CA1     5     1.50145   129.27702    96.99584
    6     5 S   HC   _HA1     6     1.09577   105.18763    88.82214
    7     5 S   CO3  _C1_     7     1.53768   112.31010   -31.30957
    8     7 S   O2Z  _O11     8     1.26367   114.99148   -44.60163
    9     7 S   O2Z  _O12     9     1.26230   114.92051   134.33333
   10     5 S   CT   _CB1    10     1.53081   107.40195  -153.32256
   11    10 S   HC   HB11    11     1.09831   109.27029   -50.45307
   12    10 S   HC   HB12    12     1.09814   110.46018    66.07876
   13    10 S   CT   _CG1    13     1.53039   112.71189  -171.50909
   14    13 S   HC   HG11    14     1.09591   110.53006   -65.60287
   15    13 S   HC   HG12    15     1.09660   109.88382    53.61580
   16    13 S   C    _CD1    16     1.51861   112.22122   173.93777
   17    16 S   O    _OE1    17     1.22770   123.25108     2.76017
   18    16 S   N    _N2_    18     1.38570   111.80982  -177.19900
   19    18 S   H    _HN2    19     1.01565   119.09847     3.69380
   20    18 S   CT1  _CA2    20     1.45810   122.76313   177.34509
   21    20 S   HC   _HA2    21     1.09740   108.84407    25.82032
   22    20 S   C    _C2_    22     1.52984   107.13326   -91.09748
   23    22 S   O    _O2_    23     1.22970   123.11929   -25.79988
   24    20 S   CT   _CB2    32     1.53185   112.37621   148.98212
   25    24 S   HC   HB21    33     1.09600   110.31662    53.80881
   26    24 S   HC   HB22    34     1.09415   109.97284   172.64427
   27    22 S   N    _N3_    24     1.38521   112.50064   156.88409
   28    27 S   H    _HN3    25     1.01653   120.32362    -2.31241
   29    24 S   S    _SG2    35     1.82594   111.20601   -66.75628
   30    27 S   CT   _CA3    26     1.45348   122.54024   178.48729
   31    30 S   HC   HA31    27     1.09566   107.87970   -54.26811
   32    30 S   HC   HA32    28     1.09559   107.55810    62.08599
   33    29 S   CT   _C22    36     1.86037    99.60843  -177.93806
   34    33 S   HC   _H9_    37     1.09794   104.89863   -31.16447
   35    30 S   CO3  _C3_    29     1.52901   114.28765  -176.21002
   36    35 S   O2Z  _O31    30     1.26341   116.05747     0.11014
   37    35 S   O2Z  _O32    31     1.26434   114.41350  -179.92867
   38    33 S   CT   _C21    38     1.53970   107.23713    83.19893
   39    38 S   HC   _H27    39     1.09716   110.65989    59.65245
   40    38 S   HC   _H28    40     1.09667   109.53559   -56.89832
   41    38 S   CT   _C20    41     1.53574   112.86335  -177.28156
   42    41 S   HC   _H8_    42     1.09513   107.05458    66.01600
   43    41 S   CT   _C19    43     1.55461   111.54265   -53.86556
   44    43 S   HC   _H7_    44     1.09923   106.77603   -61.70178
   45    43 S   CT   _C18    45     1.55248   111.34251  -174.96339
   46    45 S   HC   _H25    46     1.09340   110.84601   -71.70090
   47    45 S   HC   _H26    47     1.09592   109.80828   171.17265
   48    43 S   CT   _C24    91     1.57837   111.80624    55.56316
   49    45 S   CT   _C17    48     1.53978   113.52637    50.83637
   50    49 S   HC   _H23    49     1.09765   108.68621    67.81626
   51    49 S   HC   _H24    50     1.09333   108.04198  -177.15579
   52    48 S   CO4  _C25    92     1.55244   108.18449  -176.64923
   53    52 S   O    _O35    93     1.23241   122.72923   -94.13242
   54    48 S   CT   _C29   104     1.56092   110.21262    66.95142
   55    54 S   HC   _H32   105     1.09257   112.86352   -63.23437
   56    54 S   HC   _H33   106     1.09640   111.58377   175.50769
   57    54 S   HC   _H34   107     1.09446   112.04824    57.83185
   58    49 S   CT   _C16    51     1.53889   112.11069   -54.02995
   59    52 S   CM   _C26    94     1.48148   119.36896    82.44040
   60    59 S   HC   _H29    95     1.08349   117.70735  -169.38416
   61    41 S   CT   _C15    52     1.53627   111.12275  -175.34646
   62    61 S   HC   _H6_    53     1.10337   106.37034    64.43231
   63    58 S   CT   _C30    87     1.54791   110.06521   -67.22285
   64    63 S   HC   _H35    88     1.09448   112.43530  -177.29123
   65    63 S   HC   _H36    89     1.09302   112.81114    61.91404
   66    63 S   HC   _H37    90     1.09497   110.87478   -57.43874
   67    59 S   CM   _C27    96     1.33456   120.79545     9.93129
   68    67 S   HC   _H30    97     1.08719   118.32626  -177.88419
   69    61 S   CT   _C14    54     1.52147   118.33721   -54.34987
   70    69 S   HC   _H21    55     1.09485   112.10416    77.55142
   71    69 S   HC   _H22    56     1.09578   111.56357   -43.16648
   72    67 S   CT   _C28    98     1.50142   124.63296     2.11174
   73    72 S   HC   _H10    99     1.09454   105.96407  -106.68170
   74    69 S   CT   _C13    57     1.53401   103.99103  -162.25795
   75    74 S   HC   _H19    58     1.09602   109.22542   129.94933
   76    74 S   HC   _H20    59     1.09582   110.65900  -111.89184
   77    33 S   CT   _C23   100     1.57929   115.75071  -150.84522
   78    77 S   OM   _O37   101     1.33203   107.82537    62.65557
   79    72 S   OH   _O36   102     1.43127   106.85612   141.34354
   80    79 S   HO   _H31   103     0.97456   105.90753  -105.44309
   81    58 S   CT   _C12    60     1.56174   115.93784   165.88727
   82    81 S   HC   _H5_    61     1.09960   107.09295   -41.72595
   83    81 S   CT   _C10    62     1.55491   119.44921    80.64180
   84    83 S   HC   _H4_    63     1.09852   108.69921    58.08704
   85    83 S   CT   _C8_    64     1.55791   112.50537   174.95042
   86    85 S   HC   _H3_    65     1.09738   108.71316   -57.96437
   87    83 S   CT   _C11    83     1.53532   112.34603   -59.03682
   88    87 S   HC   _H16    84     1.09464   111.55957   -47.88695
   89    87 S   HC   _H17    85     1.09472   111.84001  -168.87118
   90    87 S   HC   _H18    86     1.09266   110.95192    72.96446
   91    85 S   CT   _C9_    66     1.52284   114.71895    65.68292
   92    91 S   HC   _H14    67     1.09578   112.04945    56.10500
   93    91 S   HC   _H15    68     1.09498   109.57067   -63.67628
   94    91 S   CM   _C5_    69     1.50699   109.13868   175.57495
   95    94 S   CM   _C6_    70     1.34958   120.46646   -30.46163
   96    94 S   CT   _C4_    79     1.50457   114.07071   148.93280
   97    96 S   HC   _H11    80     1.09555   110.06151   -54.98926
   98    96 S   HC   _H12    81     1.09127   113.95328  -174.63527
   99    96 S   HC   _H13    82     1.09495   109.95134    64.23586
  100    95 S   CO4  _C7_    71     1.49452   119.24344    -3.99189
  101   100 S   O    _O33    72     1.22680   121.71333  -164.50589
  102    95 S   CT   _C31    74     1.50482   125.59267  -178.89766
  103   102 S   HC   _H38    75     1.09521   111.12438   135.29945
  104   102 S   HC   _H39    76     1.09221   113.63381    16.32851
  105    85 S   OS   _O34    73     1.44453   108.12310  -172.53289
  106   102 S   OH   _O38    77     1.42228   109.76950  -105.12636
  107   106 S   HO   _H40    78     0.97255   107.52172    61.27590
  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  10   5   4   3
  17   8   2   1   1  15   6   5  20   8  22   9  13   6   5  16
  14   5   4  12   5   7   3   2   1  18   7   3  14   6   8   3
   2   1   7   4   8   5   4   5   4   8   4   3   3   1   1   1
  11   4  13   8  14   7   5   2   1   1  11   5   4  12  12   5
   2   1   1   6   2   5   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    77    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    72    77    78  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    61    48    52    67    72    73    77    78    79    54  
   38    39    40    41    48    72    77    78  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    58    61    62    69    48    72    77    78  
   40    41    42    43    61    77  
   41    42    43    61    77  
   42    43    44    45    46    47    49    58    61    62    69    70    71    74    81    63    48    52    77    54  
   43    44    45    58    61    62    69    48  
   44    45    46    47    49    50    51    58    61    62    69    48    52    53    59    72    77    78    54    55    56    57  
   45    46    47    49    61    48    52    77    54  
   46    47    49    50    51    58    61    81    63    48    52    77    54  
   47    49    50    51    58    48  
   49    50    51    58    48  
   52    53    59    60    67    72    73    77    78    79    54    55    56    57    49    61  
   50    51    58    61    62    69    74    81    82    83    63    64    65    66  
   51    58    61    81    63  
   58    61    81    63  
   53    59    60    67    68    72    77    78    54    55    56    57  
   59    60    67    77    54  
   55    56    57    59    72    77    78  
   56    57    77  
   57    77  
   77  
   61    62    69    70    71    74    75    76    81    82    83    84    85    87    63    64    65    66  
   60    67    68    72    73    77    79  
   67    68    72  
   62    69    70    71    74    75    76    81    82    83    63    64    65    66  
   69    70    71    74    81    63  
   64    65    66    69    74    81    82    83  
   65    66    81  
   66    81  
   81  
   68    72    73    77    78    79    80  
   72    73    77    79  
   70    71    74    75    76    81    82    83  
   71    74    75    76    81  
   74    75    76    81  
   73    77    78    79    80  
   77    78    79    80  
   75    76    81    82    83    84    85    87  
   76    81    82    83  
   81    82    83  
   78    79    80  
   79  
   80  
    0  
   82    83    84    85    86    91   105    87    88    89    90  
   83    84    85    87  
   84    85    86    91    92    93    94   100   105    87    88    89    90  
   85    86    91   105    87    88    89    90  
   86    91    92    93    94    95   100   101   105    96    87    88    89    90  
   91    92    93    94   100   105    87  
   88    89    90    91   105  
   89    90  
   90  
    0  
   92    93    94    95   100   105   102    96    97    98    99  
   93    94    95   105    96  
   94    95   105    96  
   95   100   101   105   102   103   104   106    96    97    98    99  
  100   101   105   102   103   104   106   107    96    97    98    99  
   97    98    99   100   102  
   98    99  
   99  
    0  
  101   105   102   103   104   106  
  105   102  
  103   104   106   107   105  
  104   106   107  
  106   107  
    0  
  107  
    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   0.107500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    77   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    61   268.000  1.529
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    61   268.000  1.529
   58    81   268.000  1.529
   58    63   268.000  1.529
   61    62   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   268.000  1.529
   85    86   340.000  1.090
   85    91   268.000  1.529
   85   105   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   317.000  1.510
   94    95   549.000  1.340
   94    96   317.000  1.510
   95   100   320.000  1.462
   95   102   317.000  1.510
  100   101   570.000  1.229
  100   105   214.000  1.327
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   106   320.000  1.410
  106   107   553.000  0.945
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    52   317.000  1.522
   48    77   268.000  1.529
   48    54   268.000  1.529
   52    53   570.000  1.229
   52    59   320.000  1.462
   59    60   340.000  1.080
   59    67   549.000  1.340
   67    68   340.000  1.080
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    77   268.000  1.529
   72    79   320.000  1.410
   77    78   570.000  1.307
   79    80   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    77    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    77    48    58.35000  112.70000
   33    77    72    58.35000  112.70000
   33    77    78    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    61    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    58.35000  112.70000
   41    43    48    58.35000  112.70000
   41    61    58    58.35000  112.70000
   41    61    62    37.50000  110.70000
   41    61    69    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    48    52    63.00000  111.10000
   43    48    77    58.35000  112.70000
   43    48    54    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    58    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    58    61    58.35000  112.70000
   49    58    81    58.35000  112.70000
   49    58    63    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    69    58.35000  112.70000
   58    81    74    58.35000  112.70000
   58    81    82    37.50000  110.70000
   58    81    83    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   61    41    42    37.50000  110.70000
   61    41    43    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    74    58.35000  112.70000
   69    61    62    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    81    82    37.50000  110.70000
   74    81    83    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    58    61    58.35000  112.70000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    58.35000  112.70000
   81    83    87    58.35000  112.70000
   83    81    82    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    91    58.35000  112.70000
   83    85   105    50.00000  109.50000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   85    83    84    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    70.00000  112.02700
   85   105   100    83.00000  116.90000
   91    85    86    37.50000  110.70000
   91    94    95    70.00000  124.00000
   91    94    96    65.00000  117.92700
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95   100    65.00000  118.96000
   94    95   102    70.00000  124.00000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   95   100   101    80.00000  123.72100
   95   100   105    90.00000  111.29400
   95   102   103    35.00000  109.50000
   95   102   104    35.00000  109.50000
   95   102   106    90.00000  110.39200
  105    85    86    35.00000  109.50000
  105    85    91    50.00000  109.50000
  105   100   101    83.00000  123.40000
  102    95   100    65.00000  116.34900
  102   106   107    55.00000  108.50000
  104   102   103    33.00000  107.80000
  106   102   103    35.00000  109.50000
  106   102   104    35.00000  109.50000
   96    94    95    70.00000  124.00000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   87    83    84    37.50000  110.70000
   87    83    85    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   63    58    61    58.35000  112.70000
   63    58    81    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    52    53    80.00000  120.40000
   48    52    59    65.00000  118.62400
   48    77    72    58.35000  112.70000
   48    77    78    50.00000  109.50000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   52    59    60    40.00000  117.72500
   52    59    67    65.00000  118.96000
   59    52    53    80.00000  123.72100
   59    67    68    35.00000  120.00000
   59    67    72    70.00000  124.00000
   67    59    60    35.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    77    70.00000  112.02700
   67    72    79    90.00000  110.39200
   72    67    68    35.00000  117.00000
   72    77    78    50.00000  109.50000
   72    79    80    55.00000  108.50000
   77    33    34    37.50000  110.70000
   77    33    38    58.35000  112.70000
   77    48    52    63.00000  111.10000
   77    72    73    37.50000  110.70000
   79    72    73    35.00000  109.50000
   79    72    77    50.00000  109.50000
   54    48    52    63.00000  111.10000
   54    48    77    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
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
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  105    85   -91    94   0.15300  1.0 3.0
  102    95   100   101  -0.64400  1.0 1.0
  102    95   100   101   0.26850 -1.0 2.0
  102    95   100   105  -0.15000  1.0 1.0
  102    95   100   105   0.89550 -1.0 2.0
  102    95   100   105  -0.06900  1.0 3.0
  103   102   106   107   0.19450  1.0 3.0
  104   102   106   107   0.19450  1.0 3.0
   96    94    95   100   7.00000 -1.0 2.0
   96    94    95   102   7.00000 -1.0 2.0
   87    83    85    86   0.15000  1.0 3.0
   87    83    85    91   0.56750  1.0 1.0
   87    83    85    91  -0.07550 -1.0 2.0
   87    83    85    91   0.20000  1.0 3.0
   87    83    85   105   0.62750  1.0 1.0
   87    83    85   105  -0.30950 -1.0 2.0
   87    83    85   105   0.27300  1.0 3.0
   63    58    61    41   0.56750  1.0 1.0
   63    58    61    41  -0.07550 -1.0 2.0
   63    58    61    41   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    69   0.56750  1.0 1.0
   63    58    61    69  -0.07550 -1.0 2.0
   63    58    61    69   0.20000  1.0 3.0
   63    58    81    74   0.56750  1.0 1.0
   63    58    81    74  -0.07550 -1.0 2.0
   63    58    81    74   0.20000  1.0 3.0
   63    58    81    82   0.15000  1.0 3.0
   63    58    81    83   0.56750  1.0 1.0
   63    58    81    83  -0.07550 -1.0 2.0
   63    58    81    83   0.20000  1.0 3.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    49   0.56750  1.0 1.0
   48    43    45    49  -0.07550 -1.0 2.0
   48    43    45    49   0.20000  1.0 3.0
   48    52    59    60   0.04550  1.0 1.0
   48    52    59    60   0.83000 -1.0 2.0
   48    52    59    60  -0.04000  1.0 3.0
   48    52    59    67  -0.33500  1.0 1.0
   48    52    59    67   1.06600 -1.0 2.0
   48    52    59    67  -0.14000  1.0 3.0
   52    48    77    33  -0.95700  1.0 1.0
   52    48    77    33  -0.18200 -1.0 2.0
   52    48    77    33   0.29450  1.0 3.0
   52    48    77    72  -0.95700  1.0 1.0
   52    48    77    72  -0.18200 -1.0 2.0
   52    48    77    72   0.29450  1.0 3.0
   52    48    77    78  -0.09450  1.0 1.0
   52    48    77    78  -1.12950 -1.0 2.0
   52    48    77    78   0.54000  1.0 3.0
   52    48    54    55  -0.11250  1.0 3.0
   52    48    54    56  -0.11250  1.0 3.0
   52    48    54    57  -0.11250  1.0 3.0
   52    59    67    68   7.00000 -1.0 2.0
   52    59   -67    72   7.00000 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    67   1.00000 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    77   0.09850  1.0 1.0
   59    67    72    77   0.15250 -1.0 2.0
   59    67    72    77  -0.50650  1.0 3.0
   59    67    72    79   0.67800  1.0 1.0
   59    67    72    79   0.47050 -1.0 2.0
   59    67    72    79  -0.62500  1.0 3.0
   60    59    67    68   7.00000 -1.0 2.0
   60    59    67    72   7.00000 -1.0 2.0
   67    72    77    33   0.34400  1.0 1.0
   67    72    77    33   0.09450 -1.0 2.0
   67    72    77    33   0.11100  1.0 3.0
   67    72   -77    48   0.34400  1.0 1.0
   67    72   -77    48   0.09450 -1.0 2.0
   67    72   -77    48   0.11100  1.0 3.0
   67    72    77    78   0.61850  1.0 1.0
   67    72    77    78  -0.22750 -1.0 2.0
   67    72    77    78   0.15300  1.0 3.0
   67    72    79    80  -0.07800  1.0 1.0
   67    72    79    80  -0.21500 -1.0 2.0
   67    72    79    80  -0.03150  1.0 3.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    77   0.00000  1.0 1.0
   68    67    72    79   0.00000  1.0 1.0
   73    72    77    33   0.15000  1.0 3.0
   73    72    77    48   0.15000  1.0 3.0
   73    72    77    78   0.23400  1.0 3.0
   73    72    79    80   0.19450  1.0 3.0
   77    33    38    39   0.15000  1.0 3.0
   77    33    38    40   0.15000  1.0 3.0
   77    33   -38    41   0.56750  1.0 1.0
   77    33   -38    41  -0.07550 -1.0 2.0
   77    33   -38    41   0.20000  1.0 3.0
   77    48    52    53   0.30150 -1.0 2.0
   77    48   -52    59   0.65300  1.0 1.0
   77    48   -52    59  -0.03850 -1.0 2.0
   77    48   -52    59   0.33900  1.0 3.0
   77    48    54    55   0.15000  1.0 3.0
   77    48    54    56   0.15000  1.0 3.0
   77    48    54    57   0.15000  1.0 3.0
   77    72    79    80  -0.11600  1.0 1.0
   77    72    79    80  -0.09450 -1.0 2.0
   77    72    79    80   0.21250  1.0 3.0
   79    72    77    33   0.86500  1.0 1.0
   79    72    77    33  -0.17500 -1.0 2.0
   79    72    77    33   0.20800  1.0 3.0
   79    72    77    48   0.86500  1.0 1.0
   79    72    77    48  -0.17500 -1.0 2.0
   79    72    77    48   0.20800  1.0 3.0
   79    72    77    78   3.69350  1.0 1.0
   79    72    77    78  -1.82950 -1.0 2.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    59   0.65300  1.0 1.0
   54    48    52    59  -0.03850 -1.0 2.0
   54    48    52    59   0.33900  1.0 3.0
   54    48    77    33   0.56750  1.0 1.0
   54    48    77    33  -0.07550 -1.0 2.0
   54    48    77    33   0.20000  1.0 3.0
   54    48    77    72   0.56750  1.0 1.0
   54    48    77    72  -0.07550 -1.0 2.0
   54    48    77    72   0.20000  1.0 3.0
   54    48    77    78   0.62750  1.0 1.0
   54    48    77    78  -0.30950 -1.0 2.0
   54    48    77    78   0.27300  1.0 3.0
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
   36    30    35    37  10.50000 -1.0 2.0
   91    96    94    95   1.10000 -1.0 2.0
  100   102    95    94   1.10000 -1.0 2.0
   95   105   100   101  10.50000 -1.0 2.0
   48    59    52    53  10.50000 -1.0 2.0
   52    60    59    67   1.10000 -1.0 2.0
   72    68    67    59   1.10000 -1.0 2.0
END
