* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    215    340     631
    1     0 S   NP   _N1_     1    28.50653    95.21860   -22.16503
    2     1 S   H    _HN1     2     1.02837    32.56164   160.38890
    3     1 S   H    _H1_     3     1.02781    95.51083   -84.64162
    4     1 S   H    _H2_     4     1.02959    83.27173    23.20903
    5     1 S   CT   _CA1     5     1.50124   141.76855   137.88832
    6     5 S   HC   _HA1     6     1.09576   105.21971    71.93367
    7     5 S   CO3  _C1_     7     1.53774   112.34420   -48.25206
    8     7 S   O2Z  _O11     8     1.26359   115.00337   -44.89300
    9     7 S   O2Z  _O12     9     1.26232   114.90857   134.17837
   10     5 S   CT   _CB1    10     1.53082   107.41860  -170.19793
   11    10 S   HC   HB11    11     1.09827   109.29834   -50.86469
   12    10 S   HC   HB12    12     1.09817   110.43972    65.67080
   13    10 S   CT   _CG1    13     1.53017   112.69237  -171.95651
   14    13 S   HC   HG11    14     1.09599   110.46858   -64.45047
   15    13 S   HC   HG12    15     1.09654   109.96453    54.78298
   16    13 S   C    _CD1    16     1.51827   112.26158   175.11412
   17    16 S   O    _OE1    17     1.22728   123.24431    -0.43701
   18    16 S   N    _N2_    18     1.38602   111.66114   179.72732
   19    18 S   H    _HN2    19     1.01594   119.07737     0.99268
   20    18 S   CT1  _CA2    20     1.46195   123.43063   179.97202
   21    20 S   HC   _HA2    21     1.09731   109.40666    -4.72663
   22    20 S   C    _C2_    22     1.53527   108.75034  -120.38474
   23    22 S   O    _O2_    23     1.23049   122.11895  -148.23527
   24    20 S   CT   _CB2    32     1.53422   111.34746   117.28401
   25    24 S   HC   HB21    33     1.09442   109.45706    56.54944
   26    24 S   HC   HB22    34     1.09475   109.88732   174.95477
   27    22 S   N    _N3_    24     1.38474   113.58168    39.30980
   28    27 S   H    _HN3    25     1.01500   118.91809    -0.95491
   29    24 S   S    _SG2    35     1.83273   111.38039   -65.94490
   30    27 S   CT   _CA3    26     1.45447   123.55452   175.11364
   31    30 S   HC   HA31    27     1.09516   109.40607    21.70436
   32    30 S   HC   HA32    28     1.09504   107.10172   138.71832
   33    29 S   CT   _C16    36     1.83374   101.95037   155.89943
   34    33 S   HC   _H3_    37     1.09080   105.88239  -176.85677
   35    30 S   CO3  _C3_    29     1.52900   112.90672  -101.88178
   36    35 S   O2Z  _O31    30     1.26414   115.30002   -47.50904
   37    35 S   O2Z  _O32    31     1.26339   115.05020   133.36112
   38    33 S   CM   _C6_    38     1.50471   113.50608   -60.16488
   39    38 S   CMA  _C7_    39     1.34741   112.93067   134.58881
   40    39 S   OM   _O33    40     1.25877   134.14647   175.63453
   41    38 S   CT   _C25   109     1.49793   121.06872   -50.99198
   42    41 S   HC   _H53   110     1.09490   110.21328   -48.84927
   43    41 S   HC   _H54   111     1.09474   112.26103  -168.32950
   44    41 S   HC   _H55   112     1.09364   110.98350    71.54125
   45    39 S   CT   _C17    41     1.52960   110.58296    -0.22900
   46    45 S   HC   _H48    42     1.09863   107.50465   107.58906
   47    45 S   CT   _C14    43     1.55739   114.33144  -130.30747
   48    47 S   HC   _H44    44     1.10001   107.42287    36.88647
   49    47 S   HC   _H45    45     1.09806   108.66355   -77.53055
   50    33 S   CT   _C19    59     1.54490   114.00041    58.57552
   51    50 S   HC   _H50    60     1.09752   106.59925   -26.40960
   52    47 S   CM   _C5_    46     1.52325   119.39421   158.16163
   53    52 S   CM   _C4_    47     1.34779   125.93655    15.15137
   54    53 S   HC   _H39    48     1.08863   118.35260  -178.47043
   55    52 S   CT   _C31   104     1.51020   114.47359  -162.77853
   56    55 S   HC   _H71   105     1.09510   112.26959   177.09202
   57    55 S   HC   _H72   106     1.09533   110.18657    56.72052
   58    53 S   CT   _C15    49     1.50892   125.59796     5.99806
   59    58 S   HC   _H46    50     1.09191   104.29948    50.10983
   60    55 S   OH   _O37   107     1.42109   109.40111   -62.97037
   61    60 S   HO   _H78   108     0.97206   106.99835   176.98079
   62    58 S   C3T  _C18    51     1.51551   113.13100   167.17302
   63    62 S   HC   _H49    52     1.08735   111.20243    49.76508
   64    62 S   C3T  _C23    53     1.51452   115.56191  -174.99727
   65    64 S   CT   _C21    54     1.52421   114.62780    -2.64249
   66    65 S   HC   _H52    55     1.09715   107.94392  -166.36751
   67    62 S   C3T  _C24    88     1.51747   125.78906  -102.95603
   68    64 S   OS   _O39    97     1.45345   113.99997  -134.06437
   69    65 S   CT   _C20    56     1.56795   111.85162   -45.58147
   70    69 S   HC   _H51    57     1.09546   105.50763   157.62499
   71    65 S   OS   _O38    67     1.44460   111.15970    77.02287
   72    67 S   CT   _C28    89     1.50898   121.98757     8.25038
   73    72 S   HC   _H62    90     1.09524   109.78202  -139.18781
   74    72 S   HC   _H63    91     1.09611   110.27854   102.51228
   75    72 S   HC   _H64    92     1.08979   114.95325   -16.90474
   76    67 S   CT   _C29    93     1.51798   115.81877   149.17117
   77    76 S   HC   _H65    94     1.09489   110.23494   152.59435
   78    76 S   HC   _H66    95     1.09497   112.67654    31.72344
   79    76 S   HC   _H67    96     1.09541   110.26901   -87.87382
   80    68 S   CO4  _C13    98     1.36468   117.61859  -148.68622
   81    80 S   O    _O35    99     1.22319   126.06127     0.62807
   82    58 S   CT   _C22    58     1.56993   115.37305   -67.81802
   83    69 S   CT   _C27    63     1.54013   108.44408   -87.95157
   84    83 S   HC   _H59    64     1.09450   111.81827    60.30183
   85    83 S   HC   _H60    65     1.09568   110.34785   -59.35714
   86    83 S   HC   _H61    66     1.09279   112.00417  -178.59236
   87    71 S   CO4  _C12    68     1.35769   117.29366   159.23745
   88    87 S   O    _O34    69     1.22010   127.56898    -4.98354
   89    80 S   CT   _C26   100     1.49755   109.59042  -179.52358
   90    89 S   HC   _H56   101     1.09286   109.80264   -61.57107
   91    89 S   HC   _H57   102     1.09374   109.35793   179.33973
   92    89 S   HC   _H58   103     1.09293   109.81428    60.32532
   93    82 S   OH   _O36    61     1.44305   107.58578   -69.72238
   94    93 S   HO   _H77    62     0.97226   108.27409    59.01167
   95    87 S   CM   _C9_    70     1.47470   107.44922   173.17657
   96    95 S   HC   _H41    71     1.08514   116.63777    51.12971
   97    95 S   CM   _C8_    72     1.34075   123.09206  -127.07449
   98    97 S   HC   _H40    73     1.08875   117.12218   179.85463
   99    97 S   CM   _C10    74     1.44699   126.79237     2.32220
  100    99 S   HC   _H42    75     1.08614   118.16345     1.66225
  101    99 S   CM   _C11    76     1.34161   123.13391  -179.96044
  102   101 S   HC   _H43    77     1.08756   120.11805     0.51434
  103   101 S   CT   _C32    78     1.50221   123.36911  -177.94100
  104   103 S   HC   _H73    79     1.09660   108.41807   121.60056
  105   103 S   HC   _H74    80     1.09694   110.79626     4.77114
  106   103 S   CT   _C33    81     1.52836   111.34435  -117.50382
  107   106 S   HC   _H75    82     1.09681   110.12510   -58.40263
  108   106 S   HC   _H76    83     1.09682   110.03233    59.39342
  109   106 S   CT   _C30    84     1.52084   111.36617  -179.52358
  110   109 S   HC   _H68    85     1.09472   110.99995   -60.27082
  111   109 S   HC   _H69    86     1.09448   110.26241   179.98022
  112   109 S   HC   _H70    87     1.09470   110.99186    60.23852
  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   9   5   4   3
  17   7   2   1   1  12  14   5   5   2   1   1  13   7  13   5
   4  13   4  11  14   5   5   3   2  15   7   1   1  19   7  21
  18   8  13  10  10   7   7   7   3   2   1   3   2   1   1   5
   4   6   4   2   1   1   6   3   3   2   1   1   1   1   6   3
   6   3   7   3   8   4   9   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    82    50    51    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    47    58    69    82    50    51    93    41    42    43    44  
   38    39    45    82    50    51    41  
   36    37  
   37  
    0  
   39    40    45    46    47    82    50    51    41    42    43    44  
   40    45    46    47    48    49    52    82    50    51    41    42    43    44  
   45    46    47    50    41  
   42    43    44    45    50  
   43    44  
   44  
    0  
   46    47    48    49    52    53    58    69    82    50    51    93    55  
   47    48    49    52    82    50    51  
   48    49    52    53    54    58    82    50    51    55    56    57    60  
   49    52    53    50    55  
   52    53    50    55  
   51    93    94    83    52    53    58    59    62    65    69    70    82  
   93    58    69    82  
   53    54    58    59    62    82    55    56    57    60    61  
   54    58    59    62    63    64    69    82    93    67    55    56    57    60  
   58    59    62    82    55  
   56    57    60    61    58  
   57    60    61  
   60    61  
   59    62    63    64    65    69    70    82    93    94    83    67    72    76    68  
   62    63    64    69    82    93    67  
   61  
    0  
   63    64    65    66    69    82    93    71    67    72    73    74    75    76    77    78    79    68    80  
   64    65    82    67    72    76    68  
   65    66    69    70    82    83    71    87    67    72    73    74    75    76    77    78    79    68    80    81    89  
   66    69    70    82    93    83    84    85    86    71    87    88    95    67    72    76    68    80  
   69    70    82    83    71    87    67    68  
   72    73    74    75    76    77    78    79    68    80    69    71    82  
   80    81    89    90    91    92    69    71    72    76  
   70    82    93    94    83    84    85    86    71    87  
   82    93    83    84    85    86    71  
   87    88    95    96    97    82    83  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    89    90    91    92  
   89    90    91    92  
   93    94    83    84    85    86  
   84    85    86    93  
   85    86  
   86  
    0  
   88    95    96    97    98    99  
   95    96    97  
   90    91    92  
   91    92  
   92  
    0  
   94  
    0  
   96    97    98    99   100   101  
   97    98    99  
   98    99   100   101   102   103  
   99   100   101  
  100   101   102   103   104   105   106  
  101   102   103  
  102   103   104   105   106   107   108   109  
  103   104   105   106  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109   110   111   112  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.206000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  100   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   317.000  1.510
   52    53   549.000  1.340
   52    55   317.000  1.510
   53    54   340.000  1.080
   53    58   317.000  1.510
   58    59   340.000  1.090
   58    62   275.000  1.510
   58    82   268.000  1.529
   62    63   340.000  1.088
   62    64   260.000  1.509
   62    67   260.000  1.509
   64    65   275.000  1.510
   64    67   260.000  1.509
   64    68   320.000  1.410
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   320.000  1.410
   69    70   340.000  1.090
   69    82   268.000  1.529
   69    83   268.000  1.529
   82    50   268.000  1.529
   82    93   320.000  1.410
   50    51   340.000  1.090
   93    94   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   71    87   214.000  1.327
   87    88   570.000  1.229
   87    95   320.000  1.462
   95    96   340.000  1.080
   95    97   549.000  1.340
   97    98   340.000  1.080
   97    99   380.000  1.444
   99   100   340.000  1.080
   99   101   549.000  1.340
  101   102   340.000  1.080
  101   103   317.000  1.510
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   67    72   275.000  1.510
   67    76   275.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   68    80   214.000  1.327
   80    81   570.000  1.229
   80    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   320.000  1.410
   60    61   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    50    45    58.35000  112.70000
   33    50    82    58.35000  112.70000
   33    50    51    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    45.00000  110.52000
   39    45    47    70.00000  112.02700
   39    45    50    70.00000  112.02700
   45    39    40    85.00000  112.85300
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    52    70.00000  112.02700
   45    50    82    58.35000  112.70000
   45    50    51    37.50000  110.70000
   47    45    46    37.50000  110.70000
   47    52    53    70.00000  124.00000
   47    52    55    65.00000  117.92700
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   52    53    54    35.00000  120.00000
   52    53    58    70.00000  124.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    60    90.00000  110.39200
   53    58    59    35.00000  109.50000
   53    58    62    70.00000  112.02700
   53    58    82    70.00000  112.02700
   58    53    54    35.00000  117.00000
   58    62    63    40.00000  115.04500
   58    62    64    60.00000  120.94000
   58    62    67    60.00000  120.94000
   58    82    69    58.35000  112.70000
   58    82    50    58.35000  112.70000
   58    82    93    50.00000  109.50000
   62    58    59    45.00000  109.38400
   62    64    65    60.00000  120.94000
   62    64    67    10.00000   60.00500
   62    64    68    50.00000  109.50000
   62    67    64    10.00000   60.00500
   62    67    72    60.00000  120.94000
   62    67    76    60.00000  120.94000
   64    62    63    37.50000  117.20000
   64    65    66    45.00000  109.38400
   64    65    69    70.00000  112.37300
   64    65    71    50.00000  109.50000
   64    67    72    60.00000  120.94000
   64    67    76    60.00000  120.94000
   64    68    80    83.00000  116.90000
   65    69    70    37.50000  110.70000
   65    69    82    58.35000  112.70000
   65    69    83    58.35000  112.70000
   65    71    87    83.00000  116.90000
   69    65    66    37.50000  110.70000
   69    82    50    58.35000  112.70000
   69    82    93    50.00000  109.50000
   69    83    84    37.50000  110.70000
   69    83    85    37.50000  110.70000
   69    83    86    37.50000  110.70000
   82    58    59    37.50000  110.70000
   82    58    62    70.00000  112.37300
   82    69    70    37.50000  110.70000
   82    50    51    37.50000  110.70000
   82    93    94    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    45    46    37.50000  110.70000
   50    45    47    58.35000  112.70000
   93    82    50    50.00000  109.50000
   83    69    70    37.50000  110.70000
   83    69    82    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    69    50.00000  109.50000
   71    87    88    83.00000  123.40000
   71    87    95    90.00000  111.29400
   87    95    96    40.00000  117.72500
   87    95    97    65.00000  118.96000
   95    87    88    80.00000  123.72100
   95    97    98    35.00000  120.00000
   95    97    99    70.00000  123.01800
   97    95    96    35.00000  120.00000
   97    99   100    35.00000  120.00000
   97    99   101    70.00000  123.01800
   99    97    98    35.00000  120.00000
   99   101   102    35.00000  120.00000
   99   101   103    70.00000  124.00000
  101    99   100    35.00000  120.00000
  101   103   104    35.00000  109.50000
  101   103   105    35.00000  109.50000
  101   103   106    70.00000  112.02700
  103   101   102    35.00000  117.00000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  106   109   112    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   67    62    63    37.50000  117.20000
   67    62    64    10.00000   60.00500
   67    64    65    60.00000  120.94000
   67    72    73    45.00000  109.38400
   67    72    74    45.00000  109.38400
   67    72    75    45.00000  109.38400
   67    76    77    45.00000  109.38400
   67    76    78    45.00000  109.38400
   67    76    79    45.00000  109.38400
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    67    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   68    64    65    50.00000  109.50000
   68    64    67    50.00000  109.50000
   68    80    81    83.00000  123.40000
   68    80    89    81.00000  111.40000
   80    89    90    35.00000  109.50000
   80    89    91    35.00000  109.50000
   80    89    92    35.00000  109.50000
   89    80    81    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   55    52    53    70.00000  124.00000
   55    60    61    55.00000  108.50000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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
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   93    82    50    33  -0.17500 -1.0 2.0
   93    82    50    33   0.20800  1.0 3.0
   93    82    50    45   0.86500  1.0 1.0
   93    82    50    45  -0.17500 -1.0 2.0
   93    82    50    45   0.20800  1.0 3.0
   93    82    50    51   0.23400  1.0 3.0
   83    69    82    58   0.56750  1.0 1.0
   83    69    82    58  -0.07550 -1.0 2.0
   83    69    82    58   0.20000  1.0 3.0
   83    69    82    50   0.56750  1.0 1.0
   83    69    82    50  -0.07550 -1.0 2.0
   83    69    82    50   0.20000  1.0 3.0
   83    69    82    93   0.86500  1.0 1.0
   83    69    82    93  -0.17500 -1.0 2.0
   83    69    82    93   0.20800  1.0 3.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    82   0.62750  1.0 1.0
   71    65    69    82  -0.30950 -1.0 2.0
   71    65    69    82   0.27300  1.0 3.0
   71    65    69    83   0.62750  1.0 1.0
   71    65    69    83  -0.30950 -1.0 2.0
   71    65    69    83   0.27300  1.0 3.0
   71    87    95    96   1.63100 -1.0 2.0
   71    87    95    97  -0.56150  1.0 1.0
   71    87    95    97   2.19150 -1.0 2.0
   87    95    97    98   7.00000 -1.0 2.0
   87    95    97    99   7.00000 -1.0 2.0
   88    87    95    96   0.00000  1.0 1.0
   88    87    95    97   1.00000 -1.0 2.0
   95    97    99   100  -0.18600  1.0 3.0
   95    97    99   101   0.28850  1.0 1.0
   95    97    99   101   2.61350 -1.0 2.0
   95    97    99   101   0.78400  1.0 3.0
   96    95    97    98   7.00000 -1.0 2.0
   96    95    97    99   7.00000 -1.0 2.0
   97    99   101   102   7.00000 -1.0 2.0
   97    99   101   103   7.00000 -1.0 2.0
   98    97    99   100   0.00000  1.0 1.0
   98    97    99   101  -0.18600  1.0 3.0
   99   101   103   104   0.00000  1.0 1.0
   99   101   103   105   0.00000  1.0 1.0
   99   101   103   106   0.09850  1.0 1.0
   99   101   103   106   0.15250 -1.0 2.0
   99   101   103   106  -0.50650  1.0 3.0
  100    99   101   102   7.00000 -1.0 2.0
  100    99   101   103   7.00000 -1.0 2.0
  101   103   106   107   0.15000  1.0 3.0
  101   103   106   108   0.15000  1.0 3.0
  101   103   106   109   0.34400  1.0 1.0
  101   103   106   109   0.09450 -1.0 2.0
  101   103   106   109   0.11100  1.0 3.0
  102   101   103   104   0.33100  1.0 3.0
  102   101   103   105   0.33100  1.0 3.0
  102   101   103   106   0.00000  1.0 1.0
  103   106   109   110   0.15000  1.0 3.0
  103   106   109   111   0.15000  1.0 3.0
  103   106   109   112   0.15000  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   109   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   109   0.15000  1.0 3.0
  107   106   109   110   0.15000  1.0 3.0
  107   106   109   111   0.15000  1.0 3.0
  107   106   109   112   0.15000  1.0 3.0
  108   106   109   110   0.15000  1.0 3.0
  108   106   109   111   0.15000  1.0 3.0
  108   106   109   112   0.15000  1.0 3.0
   67    62   -64    65   0.07850  1.0 1.0
   67    62   -64    65  -0.03950 -1.0 2.0
   67    62   -64    65   0.67350  1.0 3.0
   67    62   -64    68  -0.26800  1.0 1.0
   67    62   -64    68   0.69150 -1.0 2.0
   67    62   -64    68  -0.48750  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    69   0.07850  1.0 1.0
   67    64    65    69  -0.03950 -1.0 2.0
   67    64    65    69   0.67350  1.0 3.0
   67    64    65    71  -0.26800  1.0 1.0
   67    64    65    71   0.69150 -1.0 2.0
   67    64    65    71  -0.48750  1.0 3.0
   67    64    68    80  -0.25900  1.0 1.0
   67    64    68    80  -0.47000 -1.0 2.0
   67    64    68    80   0.11750  1.0 3.0
   72    67    76    77   0.15000  1.0 3.0
   72    67    76    78   0.15000  1.0 3.0
   72    67    76    79   0.15000  1.0 3.0
   76    67    72    73   0.15000  1.0 3.0
   76    67    72    74   0.15000  1.0 3.0
   76    67    72    75   0.15000  1.0 3.0
   68    64    65    66   0.23400  1.0 3.0
   68    64    65    69   0.62750  1.0 1.0
   68    64    65    69  -0.30950 -1.0 2.0
   68    64    65    69   0.27300  1.0 3.0
   68    64    65    71   1.11900  1.0 1.0
   68    64    65    71  -1.16350 -1.0 2.0
   68    64    65    71  -0.34150  1.0 3.0
   68    64   -67    62  -0.26800  1.0 1.0
   68    64   -67    62   0.69150 -1.0 2.0
   68    64   -67    62  -0.48750  1.0 3.0
   68    64    67    72   0.62750  1.0 1.0
   68    64    67    72  -0.30950 -1.0 2.0
   68    64    67    72   0.27300  1.0 3.0
   68    64    67    76   0.62750  1.0 1.0
   68    64    67    76  -0.30950 -1.0 2.0
   68    64    67    76   0.27300  1.0 3.0
   68    80    89    90   0.00000  1.0 1.0
   68    80    89    91   0.00000  1.0 1.0
   68    80    89    92   0.00000  1.0 1.0
   81    80    89    90   0.00000  1.0 1.0
   81    80    89    91   0.00000  1.0 1.0
   81    80    89    92   0.00000  1.0 1.0
   55    52    53    54   7.00000 -1.0 2.0
   55    52    53    58   7.00000 -1.0 2.0
   56    55    60    61   0.19450  1.0 3.0
   57    55    60    61   0.19450  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   45    40    39    38   1.10000 -1.0 2.0
   47    55    52    53   1.10000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   71    95    87    88  10.50000 -1.0 2.0
   87    96    95    97  15.00000 -1.0 2.0
   99    98    97    95  15.00000 -1.0 2.0
   97   100    99   101  15.00000 -1.0 2.0
  103   102   101    99  15.00000 -1.0 2.0
   68    89    80    81  10.50000 -1.0 2.0
END
