* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    214    353     649
    1     0 S   NP   _N1_     1    28.98341    94.10488   -19.30049
    2     1 S   H    _HN1     2     1.02964   102.17155    35.59007
    3     1 S   H    _H1_     3     1.02838    34.10175   138.07178
    4     1 S   H    _H2_     4     1.02780    77.94429   -70.82383
    5     1 S   CT   _CA1     5     1.50116   139.51035   178.93339
    6     5 S   HC   _HA1     6     1.09567   105.28025    36.13011
    7     5 S   CO3  _C1_     7     1.53822   112.33601   -84.20394
    8     7 S   O2Z  _O11     8     1.26360   115.01381   -44.12321
    9     7 S   O2Z  _O12     9     1.26231   114.93668   135.11326
   10     5 S   CT   _CB1    10     1.53076   107.42815   154.13923
   11    10 S   HC   HB11    11     1.09818   109.46099   -49.83514
   12    10 S   HC   HB12    12     1.09828   110.34807    66.71767
   13    10 S   CT   _CG1    13     1.53015   112.67628  -170.95410
   14    13 S   HC   HG11    14     1.09526   110.38074   -59.39855
   15    13 S   HC   HG12    15     1.09621   110.18625    59.72192
   16    13 S   C    _CD1    16     1.51775   112.01965   179.81869
   17    16 S   O    _OE1    17     1.22742   123.08562   -14.42884
   18    16 S   N    _N2_    18     1.38582   111.79864   166.36041
   19    18 S   H    _HN2    19     1.01584   119.11179     1.15420
   20    18 S   CT1  _CA2    20     1.46260   123.35089  -177.62925
   21    20 S   HC   _HA2    21     1.09736   109.34745   -14.30797
   22    20 S   C    _C2_    22     1.53404   108.41324  -130.00936
   23    22 S   O    _O2_    23     1.23008   122.28227  -146.60470
   24    20 S   CT   _CB2    32     1.53555   111.23790   107.73036
   25    24 S   HC   HB21    33     1.09256   109.31815    57.38532
   26    24 S   HC   HB22    34     1.09536   110.25500   175.07153
   27    22 S   N    _N3_    24     1.38530   113.34555    40.86699
   28    27 S   H    _HN3    25     1.01527   118.87619    -0.62838
   29    24 S   S    _SG2    35     1.83159   111.16741   -66.61954
   30    27 S   CT   _CA3    26     1.45445   123.44768   175.06322
   31    30 S   HC   HA31    27     1.09524   109.22282    24.59757
   32    30 S   HC   HA32    28     1.09495   107.12303   141.60337
   33    29 S   CT   _C23    36     1.95320   103.63532   141.52170
   34    30 S   CO3  _C3_    29     1.52928   113.13624   -98.86865
   35    34 S   O2Z  _O31    30     1.26400   115.41644   -44.00199
   36    34 S   O2Z  _O32    31     1.26356   114.97294   136.93752
   37    33 S   CT   _C28    37     1.57789   105.00386   -66.47348
   38    37 S   HC   _H9_    38     1.09256   110.30702    49.13392
   39    33 S   CT   _C22    95     1.58241   106.27320    55.69117
   40    39 S   OM   _O37    96     1.32424   111.63199  -174.70879
   41    39 S   HC   _H8_    97     1.09696   107.02568   -47.77088
   42    37 S   CM   _C27    39     1.50288   113.58736   -71.72635
   43    42 S   HC   _H29    40     1.08747   116.71766   166.88504
   44    37 S   OH   _O36   106     1.42697   114.20210   166.63897
   45    44 S   HO   _H30   107     0.97484   107.23082   -34.31948
   46    42 S   CM   _C26    41     1.33680   124.93917   -12.18078
   47    46 S   HC   _H28    42     1.08370   121.58447   177.52599
   48    46 S   CO4  _C25    43     1.48857   120.63675    -2.16238
   49    48 S   O    _O35    44     1.22927   117.68125   165.42027
   50    33 S   CT   _C24    45     1.60949   106.11484   176.47075
   51    50 S   CT   _C19    46     1.58434   110.78154   -65.04798
   52    51 S   HC   _H6_    47     1.09856   107.34813    66.69895
   53    50 S   CT   _C29   102     1.55391   114.51844   171.23008
   54    53 S   HC   _H31   103     1.09217   112.91371    73.31356
   55    53 S   HC   _H32   104     1.09197   113.27433   -49.44731
   56    53 S   HC   _H33   105     1.09696   110.85662  -166.65980
   57    51 S   CT   _C18    48     1.55770   115.05943  -177.06455
   58    57 S   HC   _H24    49     1.09435   110.48141    59.66460
   59    57 S   HC   _H25    50     1.09265   110.97063   -57.56348
   60    57 S   CT   _C17    51     1.54135   113.34737  -178.10493
   61    60 S   HC   _H22    52     1.09759   108.66287    66.13578
   62    60 S   HC   _H23    53     1.09330   107.88538  -178.89500
   63    60 S   CT   _C16    54     1.54020   112.24714   -55.89954
   64    63 S   CT   _C15    55     1.55301   106.28230    55.31372
   65    64 S   HC   _H5_    56     1.10351   108.12912    57.01870
   66    63 S   CT   _C30    98     1.54680   109.82783   -67.78480
   67    66 S   HC   _H34    99     1.09424   112.50884  -177.72591
   68    66 S   HC   _H35   100     1.09283   112.91123    61.73051
   69    66 S   HC   _H36   101     1.09481   110.89574   -57.26552
   70    64 S   CT   _C14    57     1.52092   103.69595   168.83091
   71    70 S   HC   _H20    58     1.09482   112.16579  -156.05260
   72    70 S   HC   _H21    59     1.09566   111.58948    83.13041
   73    51 S   CT   _C20    90     1.56276   112.49235   -51.35039
   74    73 S   HC   _H7_    91     1.09488   109.10018   -66.45077
   75    70 S   CT   _C13    60     1.53455   103.88448   -35.99727
   76    75 S   HC   _H18    61     1.09529   109.21111   131.19540
   77    75 S   HC   _H19    62     1.09583   110.43560  -111.03348
   78    73 S   CT   _C21    92     1.53911   112.79780    52.37947
   79    78 S   HC   _H26    93     1.09786   108.59948    69.88069
   80    78 S   HC   _H27    94     1.10019   109.41649  -176.38681
   81    63 S   CT   _C12    63     1.56828   115.82525   164.19923
   82    81 S   HC   _H4_    64     1.09906   105.44389   -42.54724
   83    81 S   CT   _C10    65     1.56554   121.82629    78.67142
   84    83 S   CT   _C8_    66     1.57153   111.66036   178.00836
   85    84 S   HC   _H3_    67     1.09745   106.88267   -64.24425
   86    83 S   CT   _C11    84     1.53192   111.51748   -54.19326
   87    86 S   HC   _H15    85     1.09391   111.84017  -177.35092
   88    86 S   HC   _H16    86     1.09342   112.10241   -54.66098
   89    86 S   HC   _H17    87     1.09321   111.13914    67.32255
   90    83 S   OH   _O38    88     1.43877   108.55906    62.25680
   91    90 S   HO   _H37    89     0.97339   107.61403   175.42752
   92    84 S   CT   _C9_    68     1.52523   118.62429    56.11181
   93    92 S   HC   _H13    69     1.09308   111.15100   -43.71959
   94    92 S   HC   _H14    70     1.09871   109.07348  -160.16261
   95    92 S   CM   _C5_    71     1.49981   112.18323    81.60894
   96    95 S   CM   _C6_    72     1.34631   120.20480    30.83636
   97    95 S   CT   _C4_    80     1.50331   114.48486  -150.76005
   98    97 S   HC   _H10    81     1.09565   109.98585   -49.18375
   99    97 S   HC   _H11    82     1.09198   113.63373  -168.55304
  100    97 S   HC   _H12    83     1.09486   110.03626    70.04771
  101    96 S   CO4  _C7_    73     1.48913   119.30491     2.19330
  102   101 S   O    _O33    74     1.22722   121.23704   163.07199
  103    96 S   CT   _C31    76     1.50152   125.81414  -178.91213
  104   103 S   HC   _H38    77     1.09590   110.47752   137.28368
  105   103 S   HC   _H39    78     1.09259   113.10635    18.62961
  106   103 S   HC   _H40    79     1.09467   110.29249  -102.95946
  107    84 S   OS   _O34    75     1.45310   110.61286  -175.93630
  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  13   5   4   3
  24   2   1   1  15   7  14   6   5   8   4   3   1   6   3  10
   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21  19
   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1   1
  12   4  14  16   8   7   3   2   1   3   1  11   5   4  12  11
   5   2   1   1   6   2   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    50    51    78    39    40    41    53    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    48    49    50    51    52    57    73    78    79    80    39    40    41    53    54    55    56    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    48    50    51    78    39    40    41    53    44    45  
   42    43    46    50    39    44    45  
   40    41    53    44    42    48    50    51    64    73    74    78    79    80  
   41    50    73    78    79    80  
   50    73    78    79    80  
   43    46    47    48    49    50    44    45  
   46    47    48    44  
   45    46    50  
    0  
   47    48    49    50    51    53  
   48    49    50  
   49    50    51    52    57    73    53    54    55    56  
   50    51    53  
   51    52    57    58    59    60    64    73    74    78    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    73    74    78    79    80    53    54    55    56  
   57    58    59    60    64    73    74    78    53  
   54    55    56    57    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    81    73    74    78    66  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    70    75    81    82    83    73    66    67    68    69  
   62    63    64    81    66  
   63    64    81    66  
   64    65    70    71    72    75    76    77    81    82    83    84    86    90    73    74    78    66    67    68    69  
   65    70    71    72    75    76    77    81    82    83    73    74    78    79    80    66    67    68    69  
   70    71    72    75    81    73    74    78    66  
   67    68    69    70    73    75    81    82    83  
   68    69    81  
   69    81  
   81  
   71    72    75    76    77    81    82    83    73    74    78  
   72    75    76    77    81    73  
   75    76    77    81    73  
   74    78    79    80    75    81  
   78    79    80  
   76    77    81    82    83    84    86    90  
   77    81    82    83  
   81    82    83  
   79    80  
   80  
    0  
   82    83    84    85    92   107    86    87    88    89    90    91  
   83    84    86    90  
   84    85    92    93    94    95   101   107    86    87    88    89    90    91  
   85    92    93    94    95    96   101   102   107    97    86    87    88    89    90    91  
   92    93    94    95   101   107    86    90  
   87    88    89    90    91    92   107  
   88    89    90  
   89    90  
   90  
   91    92   107  
    0  
   93    94    95    96   101   107   103    97    98    99   100  
   94    95    96   107    97  
   95    96   107    97  
   96   101   102   107   103   104   105   106    97    98    99   100  
  101   102   107   103   104   105   106    97    98    99   100  
   98    99   100   101   103  
   99   100  
  100  
    0  
  102   107   103   104   105   106  
  107   103  
  104   105   106   107  
  105   106  
  106  
    0  
    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   0.167500   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5000   0.0660  -0.180000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   317.000  1.510
   37    44   320.000  1.410
   42    43   340.000  1.080
   42    46   549.000  1.340
   46    47   340.000  1.080
   46    48   320.000  1.462
   48    49   570.000  1.229
   48    50   317.000  1.522
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    81   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   268.000  1.529
   83    86   268.000  1.529
   83    90   320.000  1.410
   84    85   340.000  1.090
   84    92   268.000  1.529
   84   107   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.510
   95    96   549.000  1.340
   95    97   317.000  1.510
   96   101   320.000  1.462
   96   103   317.000  1.510
  101   102   570.000  1.229
  101   107   214.000  1.327
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   553.000  0.945
   73    74   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    39   268.000  1.529
   39    40   570.000  1.307
   39    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   44    45   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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    70.00000  112.02700
   33    37    44    50.00000  109.50000
   33    50    48    63.00000  111.10000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    78    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    35.00000  117.00000
   37    42    46    70.00000  124.00000
   37    44    45    55.00000  108.50000
   42    37    38    35.00000  109.50000
   42    46    47    35.00000  120.00000
   42    46    48    65.00000  118.96000
   46    42    43    35.00000  120.00000
   46    48    49    80.00000  123.72100
   46    48    50    65.00000  118.62400
   48    46    47    40.00000  117.72500
   48    50    51    63.00000  111.10000
   48    50    53    63.00000  111.10000
   50    33    37    58.35000  112.70000
   50    48    49    80.00000  120.40000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    73    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    73    64    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    78    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    81    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    58.35000  112.70000
   63    81    75    58.35000  112.70000
   63    81    82    37.50000  110.70000
   63    81    83    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    78    58.35000  112.70000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    81    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    63    64    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    83    84    58.35000  112.70000
   81    83    86    58.35000  112.70000
   81    83    90    50.00000  109.50000
   83    81    82    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    92    58.35000  112.70000
   83    84   107    50.00000  109.50000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   83    90    91    55.00000  108.50000
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    70.00000  112.02700
   84   107   101    83.00000  116.90000
   92    84    85    37.50000  110.70000
   92    95    96    70.00000  124.00000
   92    95    97    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   95    96   101    65.00000  118.96000
   95    96   103    70.00000  124.00000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   96   101   102    80.00000  123.72100
   96   101   107    90.00000  111.29400
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   106    35.00000  109.50000
  107    84    85    35.00000  109.50000
  107    84    92    50.00000  109.50000
  107   101   102    83.00000  123.40000
  103    96   101    65.00000  116.34900
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   97    95    96    70.00000  124.00000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   86    83    84    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    83    84    50.00000  109.50000
   90    83    86    50.00000  109.50000
   73    51    52    37.50000  110.70000
   73    51    57    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    70    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    39    58.35000  112.70000
   78    73    74    37.50000  110.70000
   78    39    40    50.00000  109.50000
   78    39    41    37.50000  110.70000
   80    78    79    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    50    58.35000  112.70000
   39    78    79    37.50000  110.70000
   39    78    80    37.50000  110.70000
   41    39    40    45.00000  125.66300
   66    63    64    58.35000  112.70000
   66    63    81    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    42    90.00000  110.39200
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
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   84    83    90    91   0.21250  1.0 3.0
   84    92    95    96   0.09850  1.0 1.0
   84    92    95    96   0.15250 -1.0 2.0
   84    92    95    96  -0.50650  1.0 3.0
   84    92    95    97   0.46850  1.0 1.0
   84    92    95    97   0.08550 -1.0 2.0
   84    92    95    97   0.09800  1.0 3.0
   85    84    92    93   0.15000  1.0 3.0
   85    84    92    94   0.15000  1.0 3.0
   85    84    92    95   0.15000  1.0 3.0
   85    84   107   101   0.08050  1.0 3.0
   92    84   107   101  -0.25900  1.0 1.0
   92    84   107   101  -0.47000 -1.0 2.0
   92    84   107   101   0.11750  1.0 3.0
   92    95   -96   101   7.00000 -1.0 2.0
   92    95    96   103   7.00000 -1.0 2.0
   92    95    97    98   0.34800  1.0 3.0
   92    95    97    99   0.34800  1.0 3.0
   92    95    97   100   0.34800  1.0 3.0
   93    92    95    96   0.00000  1.0 1.0
   93    92    95    97   0.34800  1.0 3.0
   94    92    95    96   0.00000  1.0 1.0
   94    92    95    97   0.34800  1.0 3.0
   95    96   101   102   1.00000 -1.0 2.0
   95    96   101   107  -0.56150  1.0 1.0
   95    96   101   107   2.19150 -1.0 2.0
   95    96   103   104   0.00000  1.0 1.0
   95    96   103   105   0.00000  1.0 1.0
   95    96   103   106   0.00000  1.0 1.0
   96    95    97    98   0.00000  1.0 1.0
   96    95    97    99   0.00000  1.0 1.0
   96    95    97   100   0.00000  1.0 1.0
   96   101  -107    84   2.00000 -1.0 2.0
  101    96   103   104   0.15000  1.0 3.0
  101    96   103   105   0.15000  1.0 3.0
  101    96   103   106   0.15000  1.0 3.0
  102   101   107    84   3.00000 -1.0 2.0
  107    84    92    93   0.23400  1.0 3.0
  107    84    92    94   0.23400  1.0 3.0
  107    84   -92    95   0.61850  1.0 1.0
  107    84   -92    95  -0.22750 -1.0 2.0
  107    84   -92    95   0.15300  1.0 3.0
  103    96   101   102  -0.64400  1.0 1.0
  103    96   101   102   0.26850 -1.0 2.0
  103    96   101   107  -0.15000  1.0 1.0
  103    96   101   107   0.89550 -1.0 2.0
  103    96   101   107  -0.06900  1.0 3.0
   97    95    96   101   7.00000 -1.0 2.0
   97    95    96   103   7.00000 -1.0 2.0
   86    83    84    85   0.15000  1.0 3.0
   86    83    84    92   0.56750  1.0 1.0
   86    83    84    92  -0.07550 -1.0 2.0
   86    83    84    92   0.20000  1.0 3.0
   86    83    84   107   0.62750  1.0 1.0
   86    83    84   107  -0.30950 -1.0 2.0
   86    83    84   107   0.27300  1.0 3.0
   86    83    90    91  -0.11600  1.0 1.0
   86    83    90    91  -0.09450 -1.0 2.0
   86    83    90    91   0.21250  1.0 3.0
   90    83    84    85   0.23400  1.0 3.0
   90    83    84    92   0.86500  1.0 1.0
   90    83    84    92  -0.17500 -1.0 2.0
   90    83    84    92   0.20800  1.0 3.0
   90    83    84   107   3.69350  1.0 1.0
   90    83    84   107  -1.82950 -1.0 2.0
   90    83    86    87   0.23400  1.0 3.0
   90    83    86    88   0.23400  1.0 3.0
   90    83    86    89   0.23400  1.0 3.0
   73    51    57    58   0.15000  1.0 3.0
   73    51    57    59   0.15000  1.0 3.0
   73    51   -57    60   0.56750  1.0 1.0
   73    51   -57    60  -0.07550 -1.0 2.0
   73    51   -57    60   0.20000  1.0 3.0
   73    64    70    71   0.15000  1.0 3.0
   73    64    70    72   0.15000  1.0 3.0
   73    64    70    75   0.56750  1.0 1.0
   73    64    70    75  -0.07550 -1.0 2.0
   73    64    70    75   0.20000  1.0 3.0
   73    78   -39    33   0.56750  1.0 1.0
   73    78   -39    33  -0.07550 -1.0 2.0
   73    78   -39    33   0.20000  1.0 3.0
   73    78    39    40   0.62750  1.0 1.0
   73    78    39    40  -0.30950 -1.0 2.0
   73    78    39    40   0.27300  1.0 3.0
   73    78    39    41   0.15000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    39   0.15000  1.0 3.0
   79    78    39    33   0.15000  1.0 3.0
   79    78    39    40   0.23400  1.0 3.0
   79    78    39    41   0.15000  1.0 3.0
   80    78    39    33   0.15000  1.0 3.0
   80    78    39    40   0.23400  1.0 3.0
   80    78    39    41   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.34400  1.0 1.0
   39    33    37    42   0.09450 -1.0 2.0
   39    33    37    42   0.11100  1.0 3.0
   39    33    37    44   0.86500  1.0 1.0
   39    33    37    44  -0.17500 -1.0 2.0
   39    33    37    44   0.20800  1.0 3.0
   39    33    50    48  -0.95700  1.0 1.0
   39    33    50    48  -0.18200 -1.0 2.0
   39    33    50    48   0.29450  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.56750  1.0 1.0
   66    63    64    73  -0.07550 -1.0 2.0
   66    63    64    73   0.20000  1.0 3.0
   66    63    81    75   0.56750  1.0 1.0
   66    63    81    75  -0.07550 -1.0 2.0
   66    63    81    75   0.20000  1.0 3.0
   66    63    81    82   0.15000  1.0 3.0
   66    63    81    83   0.56750  1.0 1.0
   66    63    81    83  -0.07550 -1.0 2.0
   66    63    81    83   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    73   0.56750  1.0 1.0
   53    50    51    73  -0.07550 -1.0 2.0
   53    50    51    73   0.20000  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   0.67800  1.0 1.0
   44    37    42    46   0.47050 -1.0 2.0
   44    37    42    46  -0.62500  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
   35    30    34    36  10.50000 -1.0 2.0
   37    43    42    46   1.10000 -1.0 2.0
   48    47    46    42   1.10000 -1.0 2.0
   46    50    48    49  10.50000 -1.0 2.0
   92    97    95    96   1.10000 -1.0 2.0
  101   103    96    95   1.10000 -1.0 2.0
   96   107   101   102  10.50000 -1.0 2.0
END
