* LIGAND DATABASE FILE (OPLS2005)
*
001     105   110    200    331     598
    1     0 S   NP   _N1_     1    29.60209    97.82900   -16.01423
    2     1 S   H    _HN1     2     1.02956    82.51901    21.87409
    3     1 S   H    _H1_     3     1.02825    59.85644   136.70321
    4     1 S   H    _H2_     4     1.02779    65.40968   -92.24101
    5     1 S   CT   _CA1     5     1.50111   166.51956  -174.78121
    6     5 S   HC   _HA1     6     1.09603   105.14786    15.25739
    7     5 S   CO3  _C1_     7     1.53775   112.34737  -104.50624
    8     7 S   O2Z  _O11     8     1.26343   115.02215   -47.29723
    9     7 S   O2Z  _O12     9     1.26271   114.94837   131.63976
   10     5 S   CT   _CB1    10     1.53142   107.33084   132.69285
   11    10 S   HC   HB11    11     1.09799   109.00546   -54.06955
   12    10 S   HC   HB12    12     1.09801   110.67109    62.49669
   13    10 S   CT   _CG1    13     1.52797   112.39780  -175.36887
   14    13 S   HC   HG11    14     1.09358   109.97567   -68.73887
   15    13 S   HC   HG12    15     1.09678   109.93591    50.12265
   16    13 S   C    _CD1    16     1.51754   113.01711   170.12377
   17    16 S   O    _OE1    17     1.22707   123.35825    -8.22872
   18    16 S   N    _N2_    18     1.38678   111.45058   173.71350
   19    18 S   H    _HN2    19     1.01770   118.71006    -2.10719
   20    18 S   CT1  _CA2    20     1.46224   123.57231   172.53699
   21    20 S   HC   _HA2    21     1.09729   109.37485    -2.79687
   22    20 S   C    _C2_    22     1.53629   107.85373  -118.00698
   23    22 S   O    _O2_    23     1.23028   122.34827  -150.22200
   24    20 S   CT   _CB2    32     1.53516   111.95108   119.76774
   25    24 S   HC   HB21    33     1.09123   109.03662    58.79581
   26    24 S   HC   HB22    34     1.09406   109.75624   176.41909
   27    22 S   N    _N3_    24     1.38367   113.49969    37.14127
   28    27 S   H    _HN3    25     1.01598   119.27908    -4.70636
   29    24 S   S    _SG2    35     1.83058   110.64144   -64.81656
   30    27 S   CT   _CA3    26     1.45255   123.57469   177.99221
   31    30 S   HC   HA31    27     1.09549   107.79549   -55.74288
   32    30 S   HC   HA32    28     1.09539   107.75371    60.76166
   33    29 S   CT   _C31    36     1.87068   104.01105   149.41139
   34    30 S   CO3  _C3_    29     1.52988   113.67883  -178.04706
   35    34 S   O2Z  _O31    30     1.26422   115.89335   -15.16928
   36    34 S   O2Z  _O32    31     1.26399   114.56276   164.78140
   37    33 S   CO4  _C19    37     1.52999   110.54859   -40.54103
   38    37 S   O    _O38    38     1.22859   124.02865   108.57348
   39    33 S   CT   _C30    94     1.56704   114.16817    81.83482
   40    39 S   HC   _H59    95     1.09994   108.86754  -166.91272
   41    37 S   CA   _C12    39     1.47122   117.42959   -69.36004
   42    39 S   CT   _C33    96     1.52936   116.44838   -46.76305
   43    42 S   HC   _H63    97     1.09475   111.65450    71.24188
   44    42 S   HC   _H64    98     1.09215   112.82113   -52.55419
   45    42 S   HC   _H65    99     1.09674   109.51034  -172.38630
   46    41 S   CA   _C10    40     1.39741   116.93482   -31.11167
   47    46 S   CA   _C6_    41     1.40758   116.75148   176.14522
   48    47 S   HA   _H48    42     1.08860   120.90223  -179.22595
   49    46 S   CMA  _C16    85     1.51358   122.15722    -5.15187
   50    49 S   OM   _O33    86     1.26865   118.92430  -159.39870
   51    47 S   CA   _C4_    43     1.39995   121.70946    -0.12667
   52    51 S   HA   _H46    44     1.08882   118.24591  -178.71839
   53    33 S   CM   _C20    87     1.54189   105.17016  -155.58077
   54    51 S   CA   _C8_    45     1.40181   121.36617     0.48416
   55    53 S   CT   _C23    88     1.52966   113.80287   -86.88624
   56    55 S   HC   _H50    89     1.09826   107.46165    74.19793
   57    55 S   HC   _H51    90     1.09532   112.40866  -168.60926
   58    54 S   CA   _C9_    46     1.47764   119.80666  -178.98067
   59    41 S   CA   _C14    82     1.41001   121.17350   146.63322
   60    55 S   CT   _C27    91     1.52467   111.71726   -46.06976
   61    60 S   HC   _H56    92     1.09779   110.53894   -60.21084
   62    58 S   CA   _C5_    47     1.40479   119.41081   -60.39050
   63    62 S   HA   _H47    48     1.08873   120.27681    -0.71601
   64    59 S   OH   _O43    83     1.37394   121.48704     4.93161
   65    64 S   HO   _H70    84     0.97320   109.17319     7.49439
   66    60 S   OS   _O41    93     1.42823   107.46009    59.91074
   67    60 S   CT   _C34   100     1.52839   110.82961   177.44733
   68    67 S   HC   _H66   101     1.09710   109.75382    50.67909
   69    67 S   HC   _H67   102     1.09782   109.67138   -67.61780
   70    62 S   CA   _C7_    49     1.39557   121.27348   179.62154
   71    70 S   HA   _H49    50     1.08729   118.55250   179.62466
   72    67 S   CO3  _C21   103     1.53345   115.52401   170.90757
   73    72 S   O2Z  _O34   104     1.26586   114.00685   168.26397
   74    72 S   O2Z  _O39   105     1.26129   116.85717   -12.45132
   75    70 S   CA   _C11    51     1.39765   120.22426     0.10468
   76    75 S   CA   _C13    52     1.39692   119.90900    -0.25564
   77    58 S   CA   _C15    53     1.41129   122.74018   118.90782
   78    76 S   CO4  _C18    56     1.48291   119.02980   179.86152
   79    78 S   O    _O37    57     1.22517   119.11630  -156.84986
   80    77 S   OH   _O44    54     1.37474   117.51559    -1.33662
   81    80 S   HO   _H71    55     0.97418   109.27422   174.83225
   82    78 S   CT   _C26    58     1.52424   116.52450    25.01199
   83    82 S   HC   _H55    59     1.09898   106.01817    67.45540
   84    82 S   CT   _C25    60     1.53116   109.06438   -50.68133
   85    84 S   HC   _H54    61     1.09948   107.34904   167.34198
   86    75 S   CO4  _C17    62     1.48195   118.66777   178.06447
   87    86 S   O    _O36    63     1.22875   120.21823    -0.70165
   88    84 S   CT   _C24    64     1.53327   111.36651   -73.80989
   89    88 S   HC   _H52    65     1.09814   109.42603    69.20070
   90    88 S   HC   _H53    66     1.09698   110.12217  -174.03320
   91    88 S   CT   _C28    67     1.53294   110.82172   -51.88980
   92    91 S   HC   _H57    68     1.09737   109.38151   -64.63121
   93    91 S   OS   _O42    69     1.43371   109.75104    54.76895
   94    91 S   CT   _C35    76     1.52758   110.62706   173.86496
   95    94 S   HC   _H68    77     1.09715   109.78009    47.69987
   96    94 S   HC   _H69    78     1.09775   109.58100   -70.53935
   97    82 S   CT   _C29    70     1.54065   114.94763  -172.84645
   98    97 S   HC   _H58    71     1.09919   108.24559  -176.76197
   99    94 S   CO3  _C22    79     1.53322   115.54615   167.78864
  100    99 S   O2Z  _O35    80     1.26560   114.03442   165.40738
  101    99 S   O2Z  _O40    81     1.26130   116.76387   -15.61071
  102    97 S   CT   _C32    72     1.52424   114.69749   -58.34115
  103   102 S   HC   _H60    73     1.09274   112.36265    74.61903
  104   102 S   HC   _H61    74     1.09389   111.53780   -48.66409
  105   102 S   HC   _H62    75     1.09618   109.60537  -168.41911
  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
  19   2   1   1  14   5  13   7  12   6   3   2   1  11   9   4
   8   2   7   3   7  10   9   5   4  12   4   8   5   8   4   1
   1   4   5   4   3   8   3   2   1   1  11  11   6  12   4   1
   1  16   8  13   7   6   1  10   5   4  11   6  10   6   4   3
   5   4   2   1   1   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    53    55    66    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    59    49    50    53    55    56    57    60    66    39    40    42    43    44    45  
   35    36  
   36  
    0  
   38    41    46    47    54    59    64    49    53    55    66    39    40    42  
   41    46    59    53    39  
   40    42    43    44    45    67    41    49    53    55    60    61    66  
   42    43    44    45    53    60    66  
   46    47    48    51    54    58    59    64    65    49    50    53  
   43    44    45    53    60    66  
   44    45    66  
   45    66  
   66  
   47    48    51    52    54    59    64    49    50    53    55  
   48    51    52    54    58    59    49    50    53  
   51    52    54    49  
   50    53    55    56    57    60    51    59  
   53    55  
   52    54    58    62    77    59    64  
   54    58    59  
   55    56    57    60    61    66    67  
   58    62    63    70    76    77    80    59    64    65  
   56    57    60    61    66    67    68    69    72  
   57    60    61    66    67  
   60    61    66    67  
   62    63    70    71    75    76    77    80    81    78    59    64  
   64    65    62    77  
   61    66    67    68    69    72    73    74  
   66    67    68    69    72  
   63    70    71    75    76    77    80    86  
   70    71    75    77  
   65  
    0  
   67    68    69    72  
   68    69    72    73    74  
   69    72    73    74  
   72    73    74  
   71    75    76    77    78    84    86    87  
   75    76    86  
   73    74  
   74  
    0  
   76    77    80    78    79    82    84    85    86    87    88  
   77    80    81    78    79    82    83    84    86    87    97  
   80    81    78    79    82    86  
   79    82    83    84    85    86    88    93    97    98   102    80  
   82    83    84    97  
   81  
    0  
   83    84    85    86    87    88    89    90    91    93    97    98   102   103   104   105  
   84    85    86    88    93    97    98   102  
   85    86    87    88    89    90    91    92    93    97    98   102    94  
   86    87    88    89    90    91    97  
   87    88    89    90    91    97  
   88  
   89    90    91    92    93    97    94    95    96    99  
   90    91    92    93    94  
   91    92    93    94  
   92    93    97    98   102    94    95    96    99   100   101  
   93    97    94    95    96    99  
   97    98   102   103   104   105    94    95    96    99  
   95    96    99   100   101    97  
   96    99   100   101  
   99   100   101  
   98   102   103   104   105  
  102   103   104   105  
  100   101  
  101  
    0  
  103   104   105  
  104   105  
  105  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  102   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    53   317.000  1.510
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    59   469.000  1.400
   46    47   469.000  1.400
   46    49   320.000  1.460
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    58   375.000  1.464
   54    59   469.000  1.400
   58    62   469.000  1.400
   58    77   469.000  1.400
   62    63   367.000  1.080
   62    70   469.000  1.400
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    76   469.000  1.400
   75    86   310.000  1.470
   76    77   469.000  1.400
   76    78   310.000  1.470
   77    80   450.000  1.364
   80    81   553.000  0.945
   78    79   570.000  1.229
   78    82   317.000  1.522
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    97   268.000  1.529
   84    85   340.000  1.090
   84    86   317.000  1.522
   84    88   268.000  1.529
   86    87   570.000  1.229
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   320.000  1.410
   91    94   268.000  1.529
   93    97   320.000  1.410
   97    98   340.000  1.090
   97   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   317.000  1.522
   99   100   656.000  1.250
   99   101   656.000  1.250
   59    64   450.000  1.364
   64    65   553.000  0.945
   49    50   745.000  1.250
   49    53   465.000  1.376
   53    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    66   320.000  1.410
   60    67   268.000  1.529
   66    39   320.000  1.410
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
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  110.18000
   29    33    53    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    53    49    70.00000  124.00000
   33    53    55    65.00000  117.92700
   33    39    66    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    46    60.00000  119.52600
   37    41    59    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    47    63.00000  120.00000
   41    46    49    60.00000  120.93500
   41    59    54    63.00000  120.00000
   41    59    64    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    85.00000  114.86500
   46    49    53    60.00000  123.20500
   47    51    52    35.00000  120.00000
   47    51    54    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    54    58    60.00000  122.76000
   51    54    59    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    58    62    60.00000  122.76000
   54    58    77    60.00000  122.76000
   54    59    64    70.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    70    63.00000  120.00000
   58    77    76    63.00000  120.00000
   58    77    80    70.00000  120.00000
   62    70    71    35.00000  120.00000
   62    70    75    63.00000  120.00000
   70    62    63    35.00000  120.00000
   70    75    76    63.00000  120.00000
   70    75    86    60.00000  119.52600
   75    70    71    35.00000  120.00000
   75    76    77    63.00000  120.00000
   75    76    78    60.00000  119.52600
   75    86    84    65.00000  115.47100
   75    86    87    75.00000  123.78400
   76    77    80    70.00000  120.00000
   76    78    79    75.00000  123.78400
   76    78    82    65.00000  115.47100
   77    58    62    63.00000  120.00000
   77    80    81    35.00000  113.00000
   78    76    77    60.00000  119.52600
   78    82    83    35.00000  109.50000
   78    82    84    63.00000  111.10000
   78    82    97    63.00000  111.10000
   82    78    79    80.00000  120.40000
   82    84    85    37.50000  110.70000
   82    84    86    63.00000  111.10000
   82    84    88    58.35000  112.70000
   82    97    93    50.00000  109.50000
   82    97    98    37.50000  110.70000
   82    97   102    58.35000  112.70000
   84    82    83    37.50000  110.70000
   84    86    87    80.00000  120.40000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    58.35000  112.70000
   86    75    76    60.00000  119.52600
   86    84    85    35.00000  109.50000
   88    84    85    37.50000  110.70000
   88    84    86    63.00000  111.10000
   88    91    92    37.50000  110.70000
   88    91    93    50.00000  109.50000
   88    91    94    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   91    93    97    60.00000  109.50000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    99    70.00000  109.69300
   93    91    92    35.00000  109.50000
   93    97    98    35.00000  109.50000
   93    97   102    50.00000  109.50000
   97    82    83    37.50000  110.70000
   97    82    84    58.35000  112.70000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    37.50000  110.70000
  102    97    98    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    50.00000  109.50000
   94    99   100    70.00000  117.00000
   94    99   101    70.00000  117.00000
   96    94    95    33.00000  107.80000
   99    94    95    35.00000  109.50000
   99    94    96    35.00000  109.50000
  101    99   100    80.00000  126.00000
   59    41    46    63.00000  120.00000
   59    54    58    60.00000  122.76000
   59    64    65    35.00000  113.00000
   49    46    47    60.00000  120.93500
   49    53    55    70.00000  124.00000
   53    33    37    70.00000  109.06800
   53    49    50    65.00000  137.10300
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    60    70.00000  112.02700
   55    60    61    37.50000  110.70000
   55    60    66    50.00000  109.50000
   55    60    67    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    66    39    60.00000  109.50000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    72    70.00000  109.69300
   66    60    61    35.00000  109.50000
   66    39    40    35.00000  109.50000
   66    39    42    50.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    53    70.00000  112.02700
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    66    50.00000  109.50000
   67    72    73    70.00000  117.00000
   67    72    74    70.00000  117.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   74    72    73    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
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   59    54    58    62  -0.19450  1.0 1.0
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   59    54    58    77  -0.19450  1.0 1.0
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   49    53    55    56   0.00000  1.0 1.0
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   53    33    37    38   0.30150 -1.0 2.0
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   53    33    39    40   0.15000  1.0 3.0
   53    33    39    42   0.34400  1.0 1.0
   53    33    39    42   0.09450 -1.0 2.0
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   53    55    60    61   0.15000  1.0 3.0
   53    55   -60    66   0.61850  1.0 1.0
   53    55   -60    66  -0.22750 -1.0 2.0
   53    55   -60    66   0.15300  1.0 3.0
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   55    60    66    39   0.06250  1.0 1.0
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   55    60    67    69   0.15000  1.0 3.0
   55    60    67    72  -1.63150  1.0 1.0
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   55    60    67    72   0.24500  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    66   0.23400  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    66   0.23400  1.0 3.0
   57    55    60    67   0.15000  1.0 3.0
   60    66   -39    33   0.06250  1.0 1.0
   60    66   -39    33  -0.01100 -1.0 2.0
   60    66   -39    33   0.28050  1.0 3.0
   60    66    39    40   0.37050  1.0 3.0
   60    66    39    42   0.06250  1.0 1.0
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   60    67    72    73   0.41150 -1.0 2.0
   60    67    72    74   0.41150 -1.0 2.0
   61    60    66    39   0.37050  1.0 3.0
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   61    60    67    69   0.15000  1.0 3.0
   61    60    67    72  -0.11250  1.0 3.0
   66    60    67    68   0.23400  1.0 3.0
   66    60    67    69   0.23400  1.0 3.0
   66    60    67    72  -3.35100  1.0 1.0
   66    60    67    72  -0.37050 -1.0 2.0
   66    60    67    72   0.22400  1.0 3.0
   66    39    42    43   0.23400  1.0 3.0
   66    39    42    44   0.23400  1.0 3.0
   66    39    42    45   0.23400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    53    49   0.09850  1.0 1.0
   39    33    53    49   0.15250 -1.0 2.0
   39    33    53    49  -0.50650  1.0 3.0
   39    33   -53    55   0.46850  1.0 1.0
   39    33   -53    55   0.08550 -1.0 2.0
   39    33   -53    55   0.09800  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   67    60    66    39   0.06250  1.0 1.0
   67    60    66    39  -0.01100 -1.0 2.0
   67    60    66    39   0.28050  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    74   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    74   0.00000  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
   33    41    37    38  10.50000 -1.0 2.0
   46    59    41    37   4.00000 -1.0 2.0
   47    49    46    41   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   54    52    51    47   1.10000 -1.0 2.0
   58    59    54    51   4.00000 -1.0 2.0
   62    77    58    54   4.00000 -1.0 2.0
   70    63    62    58   1.10000 -1.0 2.0
   75    71    70    62   1.10000 -1.0 2.0
   76    86    75    70   4.00000 -1.0 2.0
   77    78    76    75   4.00000 -1.0 2.0
   76    80    77    58   4.00000 -1.0 2.0
   76    82    78    79  10.50000 -1.0 2.0
   75    84    86    87  10.50000 -1.0 2.0
  100    94    99   101  10.50000 -1.0 2.0
   54    64    59    41   4.00000 -1.0 2.0
   46    50    49    53   1.10000 -1.0 2.0
   33    55    53    49   1.10000 -1.0 2.0
   73    67    72    74  10.50000 -1.0 2.0
END
