* LIGAND DATABASE FILE (OPLS2005)
*
001     106   112    220    380     673
    1     0 S   NP   _N1_     1    30.68095    93.64148   -26.79147
    2     1 S   H    _HN1     2     1.02777   130.63242   -84.64742
    3     1 S   H    _H1_     3     1.02965    75.60164    17.33019
    4     1 S   H    _H2_     4     1.02831    33.72725  -140.95294
    5     1 S   CT   _CA1     5     1.50139   111.69104   123.84204
    6     5 S   HC   _HA1     6     1.09579   105.20444    95.40676
    7     5 S   CO3  _C1_     7     1.53772   112.43926   -24.69536
    8     7 S   O2Z  _O11     8     1.26354   114.99770   -42.07656
    9     7 S   O2Z  _O12     9     1.26245   114.91849   137.04238
   10     5 S   CT   _CB1    10     1.53086   107.38915  -146.75016
   11    10 S   HC   HB11    11     1.09825   109.19906   -51.22668
   12    10 S   HC   HB12    12     1.09822   110.43882    65.26620
   13    10 S   CT   _CG1    13     1.53016   112.77047  -172.39899
   14    13 S   HC   HG11    14     1.09595   110.39743   -65.32712
   15    13 S   HC   HG12    15     1.09652   110.02623    53.92315
   16    13 S   C    _CD1    16     1.51802   112.29715   174.12437
   17    16 S   O    _OE1    17     1.22738   123.26515    -3.73659
   18    16 S   N    _N2_    18     1.38667   111.71840   176.84365
   19    18 S   H    _HN2    19     1.01583   119.00359     1.95725
   20    18 S   CT1  _CA2    20     1.46042   123.36476   179.38547
   21    20 S   HC   _HA2    21     1.09615   109.29250     1.19698
   22    20 S   C    _C2_    22     1.53474   109.03703  -113.66897
   23    22 S   O    _O2_    23     1.23040   122.12012  -145.69626
   24    20 S   CT   _CB2    32     1.53408   111.63805   123.48753
   25    24 S   HC   HB21    33     1.09640   109.89418    60.85477
   26    24 S   HC   HB22    34     1.09585   110.60930   178.24900
   27    22 S   N    _N3_    24     1.38456   113.55356    42.03768
   28    27 S   H    _HN3    25     1.01469   119.04256    -0.54321
   29    24 S   S    _SG2    35     1.83181   115.03836   -59.69700
   30    27 S   CT   _CA3    26     1.45430   123.38756   174.40910
   31    30 S   HC   HA31    27     1.09528   109.10928    26.18366
   32    30 S   HC   HA32    28     1.09486   107.11213   143.25659
   33    29 S   CT   _C32    36     1.82396    99.55121   -57.10765
   34    33 S   HC   _H3_    37     1.09493   107.46796   -40.18822
   35    33 S   HC   _H4_    38     1.09321   107.45535    77.45217
   36    30 S   CO3  _C3_    29     1.52952   113.43068   -97.11470
   37    36 S   O2Z  _O31    30     1.26375   115.66755   -36.45221
   38    36 S   O2Z  _O32    31     1.26387   114.79286   144.46814
   39    33 S   CT   _C16    39     1.52502   112.57641  -160.55317
   40    39 S   HC   _H51    40     1.09901   110.33623    42.67515
   41    39 S   CO4  _C8_    41     1.50837   115.02595   -78.28531
   42    41 S   O    _O34    42     1.22015   126.81186    33.34701
   43    41 S   OS   _O36    43     1.36826   109.08404  -148.80632
   44    43 S   CT   _C23    44     1.44295   110.35414     3.07090
   45    44 S   HC   _H58    45     1.09702   106.94049   -96.60963
   46    44 S   CT   _C14    46     1.52719   107.42232   145.55239
   47    46 S   HC   _H48    47     1.09923   108.02636    62.92815
   48    46 S   HC   _H49    48     1.09774   109.76889   -48.81571
   49    39 S   CT   _C18    64     1.53812   114.43158   165.02760
   50    49 S   HC   _H53    65     1.09425   108.16018   -84.30608
   51    46 S   CT   _C22    49     1.53320   116.68050  -173.63006
   52    51 S   HC   _H57    50     1.09594   105.91492   172.90831
   53    51 S   CT   _C19    51     1.54821   115.36207    51.14738
   54    53 S   HC   _H54    52     1.09630   107.71989   -95.97550
   55    51 S   CT   _C30   103     1.53594   110.57271   -73.69899
   56    55 S   HC   _H64   104     1.09498   111.59881    64.68110
   57    55 S   HC   _H65   105     1.09523   110.83225   -55.66597
   58    55 S   HC   _H66   106     1.09524   110.72591  -174.99735
   59    53 S   CT   _C17    53     1.53945   114.47516   141.95510
   60    59 S   HC   _H52    54     1.09261   115.36267    55.92796
   61    59 S   CT   _C10    55     1.54157   104.60841   -68.96049
   62    61 S   HC   _H40    56     1.09236   112.85260  -152.78056
   63    61 S   HC   _H41    57     1.09168   112.78981    80.82195
   64    61 S   CO4  _C7_    58     1.50962    98.67475   -35.38324
   65    64 S   O    _O33    59     1.22188   124.25255  -178.89270
   66    53 S   CT   _C27    60     1.55441   119.83498    31.73724
   67    66 S   CT   _C11    61     1.53260   116.98277   -53.90556
   68    67 S   HC   _H42    62     1.08588   108.22238  -144.92304
   69    67 S   HC   _H43    63     1.09705   111.07531   101.92046
   70    66 S   CT   _C28    66     1.59682   102.58173   176.01479
   71    70 S   CO4  _C9_    67     1.52800   111.23331    83.13948
   72    71 S   O    _O35    68     1.22248   126.18176   -67.31542
   73    59 S   CT   _C12   100     1.54642   101.87297   178.26539
   74    73 S   HC   _H44   101     1.08829   109.28169   162.15211
   75    73 S   HC   _H45   102     1.09665   109.04449   -81.71859
   76    71 S   OS   _O37    69     1.36146   111.22223   113.68887
   77    76 S   CT   _C24    70     1.42720   111.04838    -6.83699
   78    77 S   HC   _H59    71     1.09721   105.26006   -93.23561
   79    77 S   CT   _C13    72     1.52898   110.14620   156.10560
   80    79 S   HC   _H46    73     1.09750   109.10725   174.77190
   81    79 S   HC   _H47    74     1.09988   105.75101    61.55914
   82    70 S   CT   _C20    88     1.56656   114.67870  -161.75481
   83    82 S   HC   _H55    89     1.09811   107.40720     8.83676
   84    79 S   CT   _C21    75     1.54645   118.49299   -58.11242
   85    84 S   HC   _H56    76     1.09479   109.93185    46.20819
   86    84 S   CT   _C15    77     1.53600   109.02855   -76.24160
   87    86 S   HC   _H50    78     1.10082   105.99008   -49.93552
   88    84 S   CT   _C29    96     1.53705   108.44740   162.39336
   89    88 S   HC   _H61    97     1.09512   111.35148    65.40654
   90    88 S   HC   _H62    98     1.09556   110.88856   -54.95591
   91    88 S   HC   _H63    99     1.09437   111.23271  -173.61322
   92    86 S   CM   _C5_    79     1.50823   120.35268  -165.39690
   93    92 S   HC   _H39    80     1.08138   123.75229    36.35455
   94    92 S   CM   _C4_    81     1.33666   113.29342  -152.49502
   95    94 S   HC   _H38    82     1.07495   129.03622  -173.87375
   96    94 S   CO4  _C6_    83     1.47640   105.17530     7.04308
   97    96 S   O    _O30    84     1.22155   122.89764  -170.08759
   98    86 S   CT   _C26    85     1.55120   113.72160    71.97731
   99    98 S   CT   _C25    86     1.54451   113.18552   -80.14113
  100    99 S   HC   _H60    87     1.09249   109.25400  -154.88931
  101    98 S   CT   _C31    92     1.54395   114.05506    52.70568
  102   101 S   HC   _H67    93     1.08627   113.28261   -71.12400
  103   101 S   HC   _H68    94     1.09477   111.08243   166.69060
  104   101 S   HC   _H69    95     1.09717   112.07311    48.68753
  105    99 S   OH   _O38    90     1.44282   107.86221   -43.68973
  106   105 S   HO   _H72    91     0.97291   107.87450  -166.59720
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
   9   4  15   8  22   9   5   2   1   1  14   9  10   5   4   9
   3  14   6   2   1  15  11   4   7   2   1   9  14   7  15   6
   5  10   4  14   8  19   8   5   2   1   1   8   4   6   3   9
   3   8   7   3   4   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    67    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    67    68    69    49    50  
   41    42    43    44    67    49    50  
   42    43    44    45    46    67    49    50  
   43    44    49  
   44    45    46    47    48    51    67    49    50  
   45    46    47    48    51    52    53    66    67    68    69    49    50    55  
   46    47    48    51    67    49    50  
   47    48    51    52    53    54    59    66    67    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    70    51    53    64    66    67    68    69  
   66    67    68    69  
   52    53    54    59    60    61    64    66    67    70    73    55    56    57    58  
   53    54    59    66    55    56    57    58  
   54    59    60    61    62    63    64    65    66    67    68    69    70    71    82    73    74    75    55    56    57    58  
   59    60    61    64    66    67    70    73    55  
   56    57    58    59    66  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    70    71    82    73    74    75  
   61    62    63    64    66    70    73    74    75  
   62    63    64    65    66    67    70    73    74    75  
   63    64    65    66    73  
   64    65    66    73  
   65    66    67    68    69    70    71    82    73  
   66    67    70  
   67    68    69    70    71    72    76    77    99    82    83    73    74    75  
   68    69    70    71    82    73  
   69    70  
   70  
   71    72    76    77    78    79    98    99   100    82    83   105    73    74    75  
   72    76    77    78    79    99    82    83    73    74    75  
   76    77    82    73  
   74    75    76    77    82    83    99  
   75    82  
   82  
   77    78    79    80    81    84    99    82    83  
   78    79    80    81    84    85    86    98    99   100    82    83   105    88  
   79    80    81    84    99    82    83  
   80    81    84    85    86    87    92    98    99    82    83    88    89    90    91  
   81    84    85    86    82    88  
   84    85    86    82    88  
   83   105   106   101    84    86    96    98    99   100  
  105    98    99   100  
   85    86    87    92    93    94    96    98    99   101    88    89    90    91  
   86    87    92    98    88    89    90    91  
   87    92    93    94    95    96    97    98    99   100   105   101   102   103   104    88    89    90    91  
   92    93    94    96    98    99   101    88  
   89    90    91    92    98  
   90    91  
   91  
    0  
   93    94    95    96    97    98    99   101  
   94    95    96    98  
   95    96    97    98    99   101  
   96    97    98  
   97    98    99   100   105   101   102   103   104  
   98    99   101  
   99   100   105   106   101   102   103   104  
  100   105   106   101   102   103   104  
  105   106   101  
  102   103   104   105  
  103   104  
  104  
    0  
  106  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   99   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  106   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    66   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    73   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.522
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   268.000  1.529
   66    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    49   268.000  1.529
   49    50   340.000  1.090
   70    71   317.000  1.522
   70    82   268.000  1.529
   70    73   268.000  1.529
   71    72   570.000  1.229
   71    76   214.000  1.327
   76    77   320.000  1.410
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   268.000  1.529
   86    87   340.000  1.090
   86    92   317.000  1.510
   86    98   268.000  1.529
   92    93   340.000  1.080
   92    94   549.000  1.340
   94    95   340.000  1.080
   94    96   320.000  1.462
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   268.000  1.529
   98   101   268.000  1.529
   99   100   340.000  1.090
   99    82   268.000  1.529
   99   105   320.000  1.410
   82    83   340.000  1.090
  105   106   553.000  0.945
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    67    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    67    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    58.35000  112.70000
   51    53    66    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    58.35000  112.70000
   53    59    73    58.35000  112.70000
   53    66    64    63.00000  111.10000
   53    66    67    58.35000  112.70000
   53    66    70    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    63.00000  111.10000
   59    73    70    58.35000  112.70000
   59    73    74    37.50000  110.70000
   59    73    75    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    64    65    80.00000  120.40000
   61    64    66    70.00000  116.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    66    67    63.00000  111.10000
   64    66    70    63.00000  111.10000
   66    53    54    37.50000  110.70000
   66    53    59    58.35000  112.70000
   66    64    65    80.00000  120.40000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    49    58.35000  112.70000
   66    70    71    63.00000  111.10000
   66    70    82    58.35000  112.70000
   66    70    73    58.35000  112.70000
   67    49    50    37.50000  110.70000
   69    67    68    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    67    68    37.50000  110.70000
   49    67    69    37.50000  110.70000
   70    66    67    58.35000  112.70000
   70    71    72    80.00000  120.40000
   70    71    76    81.00000  111.40000
   70    82    77    58.35000  112.70000
   70    82    99    58.35000  112.70000
   70    82    83    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   71    76    77    83.00000  116.90000
   76    71    72    83.00000  123.40000
   76    77    78    35.00000  109.50000
   76    77    79    50.00000  109.50000
   76    77    82    50.00000  109.50000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    84    58.35000  112.70000
   77    82    99    58.35000  112.70000
   77    82    83    37.50000  110.70000
   79    77    78    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    58.35000  112.70000
   79    84    88    58.35000  112.70000
   81    79    80    33.00000  107.80000
   84    79    80    37.50000  110.70000
   84    79    81    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    92    70.00000  112.02700
   84    86    98    58.35000  112.70000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    92    93    35.00000  117.00000
   86    92    94    70.00000  124.00000
   86    98    96    63.00000  111.10000
   86    98    99    58.35000  112.70000
   86    98   101    58.35000  112.70000
   92    86    87    35.00000  109.50000
   92    94    95    35.00000  120.00000
   92    94    96    65.00000  118.96000
   94    92    93    35.00000  120.00000
   94    96    97    80.00000  123.72100
   94    96    98    65.00000  118.62400
   96    94    95    40.00000  117.72500
   96    98    99    63.00000  111.10000
   96    98   101    63.00000  111.10000
   98    86    87    37.50000  110.70000
   98    86    92    70.00000  112.02700
   98    96    97    80.00000  120.40000
   98    99   100    37.50000  110.70000
   98    99    82    58.35000  112.70000
   98    99   105    50.00000  109.50000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    37.50000  110.70000
   99    82    83    37.50000  110.70000
   99   105   106    55.00000  108.50000
   82    70    71    63.00000  111.10000
   82    77    78    37.50000  110.70000
   82    77    79    58.35000  112.70000
   82    99   100    37.50000  110.70000
  105    99   100    35.00000  109.50000
  105    99    82    50.00000  109.50000
  101    98    99    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   88    84    85    37.50000  110.70000
   88    84    86    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   73    59    60    37.50000  110.70000
   73    59    61    58.35000  112.70000
   73    70    71    63.00000  111.10000
   73    70    82    58.35000  112.70000
   75    73    74    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
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
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   79    77    82    99   0.56750  1.0 1.0
   79    77    82    99  -0.07550 -1.0 2.0
   79    77    82    99   0.20000  1.0 3.0
   79    77    82    83   0.15000  1.0 3.0
   79    84    86    87   0.15000  1.0 3.0
   79    84    86    92   0.34400  1.0 1.0
   79    84    86    92   0.09450 -1.0 2.0
   79    84    86    92   0.11100  1.0 3.0
   79    84    86    98   0.56750  1.0 1.0
   79    84    86    98  -0.07550 -1.0 2.0
   79    84    86    98   0.20000  1.0 3.0
   79    84    88    89   0.15000  1.0 3.0
   79    84    88    90   0.15000  1.0 3.0
   79    84    88    91   0.15000  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    88   0.15000  1.0 3.0
   81    79    84    85   0.15000  1.0 3.0
   81    79    84    86   0.15000  1.0 3.0
   81    79    84    88   0.15000  1.0 3.0
   84    86    92    93   0.00000  1.0 1.0
   84    86    92    94   0.09850  1.0 1.0
   84    86    92    94   0.15250 -1.0 2.0
   84    86    92    94  -0.50650  1.0 3.0
   84    86    98    96  -0.95700  1.0 1.0
   84    86    98    96  -0.18200 -1.0 2.0
   84    86    98    96   0.29450  1.0 3.0
   84    86    98    99   0.56750  1.0 1.0
   84    86    98    99  -0.07550 -1.0 2.0
   84    86    98    99   0.20000  1.0 3.0
   84    86    98   101   0.56750  1.0 1.0
   84    86    98   101  -0.07550 -1.0 2.0
   84    86    98   101   0.20000  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    92   0.15000  1.0 3.0
   85    84    86    98   0.15000  1.0 3.0
   85    84    88    89   0.15000  1.0 3.0
   85    84    88    90   0.15000  1.0 3.0
   85    84    88    91   0.15000  1.0 3.0
   86    84    88    89   0.15000  1.0 3.0
   86    84    88    90   0.15000  1.0 3.0
   86    84    88    91   0.15000  1.0 3.0
   86    92    94    95   7.00000 -1.0 2.0
   86    92   -94    96   7.00000 -1.0 2.0
   86    98    99   100   0.15000  1.0 3.0
   86    98    99    82   0.56750  1.0 1.0
   86    98    99    82  -0.07550 -1.0 2.0
   86    98    99    82   0.20000  1.0 3.0
   86    98    99   105   0.86500  1.0 1.0
   86    98    99   105  -0.17500 -1.0 2.0
   86    98    99   105   0.20800  1.0 3.0
   86    98   101   102   0.15000  1.0 3.0
   86    98   101   103   0.15000  1.0 3.0
   86    98   101   104   0.15000  1.0 3.0
   87    86    92    93   0.33100  1.0 3.0
   87    86    92    94   0.00000  1.0 1.0
   87    86    98    96  -0.11250  1.0 3.0
   87    86    98    99   0.15000  1.0 3.0
   87    86    98   101   0.15000  1.0 3.0
   92    86   -98    96  -0.98800  1.0 1.0
   92    86   -98    96   0.48800 -1.0 2.0
   92    86   -98    96   0.76800  1.0 3.0
   92    86    98    99   0.34400  1.0 1.0
   92    86    98    99   0.09450 -1.0 2.0
   92    86    98    99   0.11100  1.0 3.0
   92    86    98   101   0.34400  1.0 1.0
   92    86    98   101   0.09450 -1.0 2.0
   92    86    98   101   0.11100  1.0 3.0
   92    94    96    97   1.00000 -1.0 2.0
   92    94   -96    98  -0.33500  1.0 1.0
   92    94   -96    98   1.06600 -1.0 2.0
   92    94   -96    98  -0.14000  1.0 3.0
   93    92    94    95   7.00000 -1.0 2.0
   93    92    94    96   7.00000 -1.0 2.0
   94    96   -98    86   0.65300  1.0 1.0
   94    96   -98    86  -0.03850 -1.0 2.0
   94    96   -98    86   0.33900  1.0 3.0
   94    96    98    99   0.65300  1.0 1.0
   94    96    98    99  -0.03850 -1.0 2.0
   94    96    98    99   0.33900  1.0 3.0
   94    96    98   101   0.65300  1.0 1.0
   94    96    98   101  -0.03850 -1.0 2.0
   94    96    98   101   0.33900  1.0 3.0
   95    94    96    97   0.00000  1.0 1.0
   95    94    96    98   0.04550  1.0 1.0
   95    94    96    98   0.83000 -1.0 2.0
   95    94    96    98  -0.04000  1.0 3.0
   96    98    99   100  -0.11250  1.0 3.0
   96    98    99    82  -0.95700  1.0 1.0
   96    98    99    82  -0.18200 -1.0 2.0
   96    98    99    82   0.29450  1.0 3.0
   96    98    99   105  -0.09450  1.0 1.0
   96    98    99   105  -1.12950 -1.0 2.0
   96    98    99   105   0.54000  1.0 3.0
   96    98   101   102  -0.11250  1.0 3.0
   96    98   101   103  -0.11250  1.0 3.0
   96    98   101   104  -0.11250  1.0 3.0
   97    96    98    86   0.30150 -1.0 2.0
   97    96    98    99   0.30150 -1.0 2.0
   97    96    98   101   0.30150 -1.0 2.0
   98    86    92    93   0.00000  1.0 1.0
   98    86   -92    94   0.09850  1.0 1.0
   98    86   -92    94   0.15250 -1.0 2.0
   98    86   -92    94  -0.50650  1.0 3.0
   98    99    82    70   0.56750  1.0 1.0
   98    99    82    70  -0.07550 -1.0 2.0
   98    99    82    70   0.20000  1.0 3.0
   98    99    82    77   0.56750  1.0 1.0
   98    99    82    77  -0.07550 -1.0 2.0
   98    99    82    77   0.20000  1.0 3.0
   98    99    82    83   0.15000  1.0 3.0
   98    99   105   106  -0.11600  1.0 1.0
   98    99   105   106  -0.09450 -1.0 2.0
   98    99   105   106   0.21250  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   103   0.15000  1.0 3.0
   99    98   101   104   0.15000  1.0 3.0
  100    99    82    70   0.15000  1.0 3.0
  100    99    82    77   0.15000  1.0 3.0
  100    99    82    83   0.15000  1.0 3.0
  100    99   105   106   0.19450  1.0 3.0
   82    70    71    72   0.30150 -1.0 2.0
   82    70   -71    76   0.36750  1.0 3.0
   82    70    73    59   0.56750  1.0 1.0
   82    70    73    59  -0.07550 -1.0 2.0
   82    70    73    59   0.20000  1.0 3.0
   82    70    73    74   0.15000  1.0 3.0
   82    70    73    75   0.15000  1.0 3.0
   82    77    79    80   0.15000  1.0 3.0
   82    77    79    81   0.15000  1.0 3.0
   82    77    79    84   0.56750  1.0 1.0
   82    77    79    84  -0.07550 -1.0 2.0
   82    77    79    84   0.20000  1.0 3.0
   82    99   105   106  -0.11600  1.0 1.0
   82    99   105   106  -0.09450 -1.0 2.0
   82    99   105   106   0.21250  1.0 3.0
  105    99    82    70   0.86500  1.0 1.0
  105    99    82    70  -0.17500 -1.0 2.0
  105    99    82    70   0.20800  1.0 3.0
  105    99    82    77   0.86500  1.0 1.0
  105    99    82    77  -0.17500 -1.0 2.0
  105    99    82    77   0.20800  1.0 3.0
  105    99    82    83   0.23400  1.0 3.0
  101    98    99   100   0.15000  1.0 3.0
  101    98    99    82   0.56750  1.0 1.0
  101    98    99    82  -0.07550 -1.0 2.0
  101    98    99    82   0.20000  1.0 3.0
  101    98    99   105   0.86500  1.0 1.0
  101    98    99   105  -0.17500 -1.0 2.0
  101    98    99   105   0.20800  1.0 3.0
   88    84    86    87   0.15000  1.0 3.0
   88    84    86    92   0.34400  1.0 1.0
   88    84    86    92   0.09450 -1.0 2.0
   88    84    86    92   0.11100  1.0 3.0
   88    84    86    98   0.56750  1.0 1.0
   88    84    86    98  -0.07550 -1.0 2.0
   88    84    86    98   0.20000  1.0 3.0
   73    59    61    62   0.15000  1.0 3.0
   73    59    61    63   0.15000  1.0 3.0
   73    59   -61    64  -0.95700  1.0 1.0
   73    59   -61    64  -0.18200 -1.0 2.0
   73    59   -61    64   0.29450  1.0 3.0
   73    70    71    72   0.30150 -1.0 2.0
   73    70    71    76   0.36750  1.0 3.0
   73    70    82    77   0.56750  1.0 1.0
   73    70    82    77  -0.07550 -1.0 2.0
   73    70    82    77   0.20000  1.0 3.0
   73    70    82    99   0.56750  1.0 1.0
   73    70    82    99  -0.07550 -1.0 2.0
   73    70    82    99   0.20000  1.0 3.0
   73    70    82    83   0.15000  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.56750  1.0 1.0
   55    51    53    59  -0.07550 -1.0 2.0
   55    51    53    59   0.20000  1.0 3.0
   55    51    53    66   0.56750  1.0 1.0
   55    51    53    66  -0.07550 -1.0 2.0
   55    51    53    66   0.20000  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   61    66    64    65  10.50000 -1.0 2.0
   70    76    71    72  10.50000 -1.0 2.0
   86    93    92    94   1.10000 -1.0 2.0
   96    95    94    92   1.10000 -1.0 2.0
   94    98    96    97  10.50000 -1.0 2.0
END
