* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    215    339     636
    1     0 S   NP   _N1_     1    28.83358    95.84819   -19.55140
    2     1 S   H    _HN1     2     1.02777    77.73582   -77.43457
    3     1 S   H    _H1_     3     1.02960    90.30251    31.27557
    4     1 S   H    _H2_     4     1.02837    41.82686   146.96501
    5     1 S   CT   _CA1     5     1.50158   151.21450   168.40205
    6     5 S   HC   _HA1     6     1.09566   105.23500    44.10869
    7     5 S   CO3  _C1_     7     1.53870   112.26327   -76.14952
    8     7 S   O2Z  _O11     8     1.26383   115.01306   -43.21376
    9     7 S   O2Z  _O12     9     1.26232   114.91639   135.77922
   10     5 S   CT   _CB1    10     1.53078   107.39887   162.11116
   11    10 S   HC   HB11    11     1.09823   109.52682   -48.66892
   12    10 S   HC   HB12    12     1.09832   110.28083    67.89993
   13    10 S   CT   _CG1    13     1.53054   112.74755  -169.74412
   14    13 S   HC   HG11    14     1.09579   110.33858   -59.59185
   15    13 S   HC   HG12    15     1.09616   110.19343    59.66015
   16    13 S   C    _CD1    16     1.51839   112.01384   179.95154
   17    16 S   O    _OE1    17     1.22751   123.12995   -10.48106
   18    16 S   N    _N2_    18     1.38633   111.80443   169.61988
   19    18 S   H    _HN2    19     1.01582   119.10558     2.49489
   20    18 S   CT1  _CA2    20     1.46367   123.27569  -174.97504
   21    20 S   HC   _HA2    21     1.09730   109.32338   -13.26997
   22    20 S   C    _C2_    22     1.53333   108.68102  -129.22273
   23    22 S   O    _O2_    23     1.23020   122.21261  -147.01731
   24    20 S   CT   _CB2    32     1.53588   111.11001   108.48367
   25    24 S   HC   HB21    33     1.09549   109.31126    58.04908
   26    24 S   HC   HB22    34     1.09495   110.84993   176.68672
   27    22 S   N    _N3_    24     1.38506   113.38121    40.45663
   28    27 S   H    _HN3    25     1.01532   118.86829    -0.69521
   29    24 S   S    _SG2    35     1.82790   111.18991   -63.43075
   30    27 S   CT   _CA3    26     1.45446   123.44832   175.07332
   31    30 S   HC   HA31    27     1.09526   109.21761    24.67928
   32    30 S   HC   HA32    28     1.09497   107.12647   141.67773
   33    29 S   CT   _C22    36     1.84656   100.05851   151.27316
   34    33 S   HC   _H3_    37     1.09892   104.86952   -37.00067
   35    30 S   CO3  _C3_    29     1.52927   113.13087   -98.78622
   36    35 S   O2Z  _O31    30     1.26401   115.41001   -44.38919
   37    35 S   O2Z  _O32    31     1.26356   114.98008   136.55095
   38    33 S   CT   _C16    38     1.56396   109.05422    80.10605
   39    38 S   HC   _H49    39     1.09537   112.60547    -5.53336
   40    38 S   HC   _H50    40     1.09789   109.64465  -123.21543
   41    38 S   CT   _C17    41     1.55639   107.31860   118.64816
   42    41 S   HC   _H51    42     1.10113   106.50850    94.45073
   43    41 S   C5BC _C7_    43     1.50111   114.49063  -149.96321
   44    41 S   CT   _C26    51     1.56698   104.17320   -19.65982
   45    43 S   C5BC _C4_    44     1.42711   125.88818  -134.91228
   46    45 S   HA   _H42    45     1.08097   127.16788    -0.93565
   47    44 S   CT   _C21    52     1.55855   115.11575   157.83543
   48    47 S   HC   _H55    53     1.09634   108.45466   -52.41269
   49    44 S   CT   _C32   110     1.56289   109.19787   -79.16529
   50    49 S   HC   _H72   111     1.09361   112.47417   154.74613
   51    49 S   HC   _H73   112     1.09172   113.07043    34.30010
   52    49 S   HC   _H74   113     1.09562   111.65672   -84.24345
   53    45 S   C5A  _C5_    46     1.37385   106.86695   179.32944
   54    53 S   HA   _H43    47     1.08013   133.84816   179.70525
   55    47 S   CT   _C20    54     1.55347   112.31627  -172.98049
   56    55 S   HC   _H54    55     1.09305   107.45506   171.53550
   57    47 S   OS   _O40   103     1.44788   110.18315    64.91874
   58    53 S   OA   _O38    48     1.35569   110.40003    -0.50007
   59    55 S   CT   _C18    56     1.57274   115.60161    48.30222
   60    59 S   HC   _H52    57     1.10023   103.60376  -144.03965
   61    55 S   OS   _O39    96     1.45686   109.76653   -72.19584
   62    57 S   CO4  _C14   104     1.36278   117.55119  -154.51460
   63    62 S   O    _O36   105     1.22324   126.53236     2.94111
   64    43 S   C5A  _C6_    49     1.38223   129.41556    43.28688
   65    64 S   HA   _H44    50     1.08059   133.54723     0.70693
   66    59 S   CM   _C11    58     1.56192   114.11426   -33.75631
   67    59 S   CT   _C23    64     1.62728   112.27020   104.36389
   68    61 S   CO4  _C13    97     1.36107   119.06852  -104.90902
   69    68 S   O    _O35    98     1.22293   126.83818     0.95695
   70    62 S   CT   _C28   106     1.49835   109.50154  -177.09337
   71    70 S   HC   _H60   107     1.09203   109.97521   -66.55058
   72    70 S   HC   _H61   108     1.09379   109.31276   174.08371
   73    70 S   HC   _H62   109     1.09316   109.86696    55.42465
   74    33 S   CT   _C25    59     1.58344   117.91343  -160.70828
   75    74 S   OM   _O33    60     1.33302   103.13057   155.20735
   76    66 S   CM   _C12    61     1.34768   118.12659  -145.12013
   77    76 S   HC   _H47    62     1.08051   122.92531  -176.33617
   78    76 S   HC   _H48    63     1.08511   121.40897     0.71764
   79    67 S   CM   _C9_    65     1.52166   110.46777   -45.44835
   80    79 S   HC   _H46    66     1.08541   117.01207   -56.63578
   81    67 S   CT   _C29    92     1.54816   111.63730  -163.37637
   82    81 S   HC   _H63    93     1.09262   112.78198   -57.65257
   83    81 S   HC   _H64    94     1.09126   112.54308  -178.05067
   84    81 S   HC   _H65    95     1.09597   111.69169    63.34775
   85    68 S   CT   _C27    99     1.49821   109.25030  -179.25270
   86    85 S   HC   _H57   100     1.09294   109.79711   -61.23488
   87    85 S   HC   _H58   101     1.09374   109.37369   179.68534
   88    85 S   HC   _H59   102     1.09296   109.81310    60.66174
   89    79 S   CM   _C8_    67     1.33607   127.00687   122.37056
   90    89 S   HC   _H45    68     1.08389   121.35856  -176.92744
   91    89 S   CO4  _C10    69     1.47725   120.98543     4.43628
   92    91 S   O    _O34    70     1.23012   118.59405  -167.13639
   93    91 S   CT   _C24    71     1.53319   117.93011    17.26333
   94    67 S   CT   _C19    72     1.60125   107.27232    74.63222
   95    94 S   HC   _H53    73     1.09875   104.79496   -40.64573
   96    93 S   CT   _C30    84     1.54567   108.12575  -162.98177
   97    96 S   HC   _H66    85     1.09416   111.72491  -173.12542
   98    96 S   HC   _H67    86     1.09589   111.27587    65.28900
   99    96 S   HC   _H68    87     1.09677   111.59255   -53.95978
  100    93 S   CT   _C31    88     1.53907   106.66121    81.71101
  101   100 S   HC   _H69    89     1.09284   112.51778  -172.50852
  102   100 S   HC   _H70    90     1.09768   110.49750    68.02251
  103   100 S   HC   _H71    91     1.09313   112.65422   -49.37560
  104    94 S   CT   _C34    74     1.55654   112.48906    74.23439
  105   104 S   HC   _H78    75     1.09346   110.79770    97.44855
  106   104 S   HC   _H79    76     1.09426   112.22890   -21.17796
  107   104 S   CO4  _C15    77     1.51582   113.25772  -138.99799
  108   107 S   O    _O37    78     1.22386   124.66757    40.64399
  109   107 S   OS   _O41    79     1.36462   109.63822  -141.15069
  110   109 S   CT   _C33    80     1.43036   115.19595  -179.53691
  111   110 S   HC   _H75    81     1.09327   108.10961  -179.15977
  112   110 S   HC   _H76    82     1.09420   110.27023    62.14815
  113   110 S   HC   _H77    83     1.09430   110.30843   -60.47661
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  13   6   5  20   7  11  18   6   4  19   8
   8   3   2   1   4   2  16   7   9   2  21   8   8   5   4   1
   1   9  20   5   4   3   2   1   1   4   1   2   1   1  13   5
   8   3   2   1   3   2   1   1   7   3  13   4  14  15   6   8
   3   2   1   4   2   1   1   6   4   3   6   2   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    74    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    66    74    75  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    59    66    74    75    76    49  
   38    39    40    41    44    66    74    75  
   36    37  
   37  
    0  
   39    40    41    42    43    45    64    44    47    66    74    75    49  
   40    41    42    43    44    74  
   41    42    43    44    74  
   42    43    45    46    53    58    64    65    44    47    48    55    66    74    75    57    49    50    51    52  
   43    45    64    44    47    74    49  
   45    46    53    54    58    64    65    44    47    74    49  
   47    48    55    56    59    66    74    75    76    61    57    62    49    50    51    52    45    64  
   46    53    54    58    64    65  
   53    54    58    64  
   48    55    56    59    60    66    74    75    67    61    68    57    62    63    70    49    50    51    52  
   55    56    59    74    61    57    62    49  
   50    51    52    55    57    66    74    75  
   51    52    74  
   52    74  
   74  
   54    58    64    65  
   58    64  
   56    59    60    66    74    76    67    79    94    81    61    68    69    85    57    62  
   59    60    66    67    61    68    57  
   62    63    70    71    72    73    59    61    74  
   64    65  
   60    66    74    75    76    77    78    67    79    80    89    93    94    95   104    81    82    83    84    61    68  
   66    74    76    67    79    94    81    61  
   68    69    85    86    87    88    66    67  
   63    70    71    72    73  
   70    71    72    73  
   65  
    0  
   74    75    76    77    78    67    79    94    81  
   79    80    89    90    91    93    94    95   104   105   106   107    96   100    81    82    83    84    74    76  
   69    85    86    87    88  
   85    86    87    88  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78  
   76  
   77    78  
   78  
    0  
   80    89    90    91    92    93    94    95   104    81    82    83    84  
   89    90    91    94    81  
   82    83    84    89    93    94    95   104  
   83    84    94  
   84    94  
   94  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    93    94    96   100  
   91    92    93  
   92    93    94    95   104    96    97    98    99   100   101   102   103  
   93    94    96   100  
   94    95   104   105   106   107    96    97    98    99   100   101   102   103  
   95   104   105   106   107   108   109    96    97    98    99   100   101   102   103  
  104   105   106   107    96   100  
   97    98    99   100   101   102   103   104  
   98    99   100  
   99   100  
  100  
  101   102   103   104  
  102   103  
  103  
    0  
  105   106   107   108   109   110  
  106   107   108   109  
  107   108   109  
  108   109   110   111   112   113  
  109   110  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  109   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  110   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  112   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  113   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    74   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    64   546.000  1.367
   45    46   367.000  1.080
   45    53   546.000  1.367
   53    54   367.000  1.080
   53    58   340.000  1.360
   58    64   340.000  1.360
   64    65   367.000  1.080
   44    47   268.000  1.529
   44    74   268.000  1.529
   44    49   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   320.000  1.410
   59    60   340.000  1.090
   59    66   317.000  1.510
   59    67   268.000  1.529
   66    74   317.000  1.510
   66    76   549.000  1.340
   74    75   570.000  1.307
   76    77   340.000  1.080
   76    78   340.000  1.080
   67    79   317.000  1.510
   67    94   268.000  1.529
   67    81   268.000  1.529
   79    80   340.000  1.080
   79    89   549.000  1.340
   89    90   340.000  1.080
   89    91   320.000  1.462
   91    92   570.000  1.229
   91    93   317.000  1.522
   93    94   268.000  1.529
   93    96   268.000  1.529
   93   100   268.000  1.529
   94    95   340.000  1.090
   94   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   317.000  1.522
  107   108   570.000  1.229
  107   109   214.000  1.327
  109   110   320.000  1.410
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   61    68   214.000  1.327
   68    69   570.000  1.229
   68    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   57    62   214.000  1.327
   62    63   570.000  1.229
   62    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    74    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    74    44    58.35000  112.70000
   33    74    66    70.00000  112.02700
   33    74    75    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.17500
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    45    60.00000  130.00000
   41    43    64    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    74    58.35000  112.70000
   41    44    49    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    53    70.00000  107.30000
   43    64    58    70.00000  110.60000
   43    64    65    35.00000  132.10000
   45    53    54    35.00000  132.10000
   45    53    58    70.00000  110.60000
   53    45    46    35.00000  125.70000
   53    58    64    70.00000  106.50000
   58    53    54    35.00000  113.40000
   58    64    65    35.00000  113.40000
   64    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    55    58.35000  112.70000
   44    47    57    50.00000  109.50000
   44    74    66    70.00000  112.02700
   44    74    75    50.00000  109.50000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    59    58.35000  112.70000
   47    55    61    50.00000  109.50000
   47    57    62    83.00000  116.90000
   55    47    48    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    66    70.00000  112.02700
   55    59    67    58.35000  112.70000
   55    61    68    83.00000  116.90000
   59    55    56    37.50000  110.70000
   59    66    74    65.00000  117.92700
   59    66    76    70.00000  124.00000
   59    67    79    70.00000  112.02700
   59    67    94    58.35000  112.70000
   59    67    81    58.35000  112.70000
   66    59    60    35.00000  109.50000
   66    74    75    85.00000  110.90400
   66    76    77    35.00000  120.00000
   66    76    78    35.00000  120.00000
   74    33    34    37.50000  110.70000
   74    33    38    58.35000  112.70000
   74    44    47    58.35000  112.70000
   76    66    74    70.00000  124.00000
   78    76    77    35.00000  117.00000
   67    59    60    37.50000  110.70000
   67    59    66    70.00000  112.02700
   67    79    80    35.00000  117.00000
   67    79    89    70.00000  124.00000
   67    94    93    58.35000  112.70000
   67    94    95    37.50000  110.70000
   67    94   104    58.35000  112.70000
   67    81    82    37.50000  110.70000
   67    81    83    37.50000  110.70000
   67    81    84    37.50000  110.70000
   79    89    90    35.00000  120.00000
   79    89    91    65.00000  118.96000
   89    79    80    35.00000  120.00000
   89    91    92    80.00000  123.72100
   89    91    93    65.00000  118.62400
   91    89    90    40.00000  117.72500
   91    93    94    63.00000  111.10000
   91    93    96    63.00000  111.10000
   91    93   100    63.00000  111.10000
   93    91    92    80.00000  120.40000
   93    94    95    37.50000  110.70000
   93    94   104    58.35000  112.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    37.50000  110.70000
   93   100   101    37.50000  110.70000
   93   100   102    37.50000  110.70000
   93   100   103    37.50000  110.70000
   94    67    79    70.00000  112.02700
   94   104   105    37.50000  110.70000
   94   104   106    37.50000  110.70000
   94   104   107    63.00000  111.10000
  104    94    95    37.50000  110.70000
  104   107   108    80.00000  120.40000
  104   107   109    81.00000  111.40000
  106   104   105    33.00000  107.80000
  107   104   105    35.00000  109.50000
  107   104   106    35.00000  109.50000
  107   109   110    83.00000  116.90000
  109   107   108    83.00000  123.40000
  109   110   111    35.00000  109.50000
  109   110   112    35.00000  109.50000
  109   110   113    35.00000  109.50000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   96    93    94    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    93    94    58.35000  112.70000
  100    93    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   81    67    79    70.00000  112.02700
   81    67    94    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    59    50.00000  109.50000
   61    68    69    83.00000  123.40000
   61    68    85    81.00000  111.40000
   68    85    86    35.00000  109.50000
   68    85    87    35.00000  109.50000
   68    85    88    35.00000  109.50000
   85    68    69    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   57    47    48    35.00000  109.50000
   57    47    55    50.00000  109.50000
   57    62    63    83.00000  123.40000
   57    62    70    81.00000  111.40000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   70    62    63    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   49    44    47    58.35000  112.70000
   49    44    74    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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
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   91    93    96    99  -0.11250  1.0 3.0
   91    93   100   101  -0.11250  1.0 3.0
   91    93   100   102  -0.11250  1.0 3.0
   91    93   100   103  -0.11250  1.0 3.0
   92    91    93    94   0.30150 -1.0 2.0
   92    91    93    96   0.30150 -1.0 2.0
   92    91    93   100   0.30150 -1.0 2.0
   93    94   104   105   0.15000  1.0 3.0
   93    94   104   106   0.15000  1.0 3.0
   93    94   104   107  -0.95700  1.0 1.0
   93    94   104   107  -0.18200 -1.0 2.0
   93    94   104   107   0.29450  1.0 3.0
   94    67    79    80   0.00000  1.0 1.0
   94    67   -79    89   0.09850  1.0 1.0
   94    67   -79    89   0.15250 -1.0 2.0
   94    67   -79    89  -0.50650  1.0 3.0
   94    67    81    82   0.15000  1.0 3.0
   94    67    81    83   0.15000  1.0 3.0
   94    67    81    84   0.15000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   102   0.15000  1.0 3.0
   94    93   100   103   0.15000  1.0 3.0
   94   104   107   108   0.30150 -1.0 2.0
   94   104   107   109   0.36750  1.0 3.0
   95    94   104   105   0.15000  1.0 3.0
   95    94   104   106   0.15000  1.0 3.0
   95    94   104   107  -0.11250  1.0 3.0
  104   107   109   110   1.63150  1.0 1.0
  104   107   109   110   2.92000 -1.0 2.0
  105   104   107   108   0.00000  1.0 1.0
  105   104   107   109   0.00000  1.0 1.0
  106   104   107   108   0.00000  1.0 1.0
  106   104   107   109   0.00000  1.0 1.0
  107   109   110   111   0.08050  1.0 3.0
  107   109   110   112   0.08050  1.0 3.0
  107   109   110   113   0.08050  1.0 3.0
  108   107   109   110   3.00000 -1.0 2.0
   96    93    94    67   0.56750  1.0 1.0
   96    93    94    67  -0.07550 -1.0 2.0
   96    93    94    67   0.20000  1.0 3.0
   96    93    94    95   0.15000  1.0 3.0
   96    93    94   104   0.56750  1.0 1.0
   96    93    94   104  -0.07550 -1.0 2.0
   96    93    94   104   0.20000  1.0 3.0
   96    93   100   101   0.15000  1.0 3.0
   96    93   100   102   0.15000  1.0 3.0
   96    93   100   103   0.15000  1.0 3.0
  100    93    94    67   0.56750  1.0 1.0
  100    93    94    67  -0.07550 -1.0 2.0
  100    93    94    67   0.20000  1.0 3.0
  100    93    94    95   0.15000  1.0 3.0
  100    93    94   104   0.56750  1.0 1.0
  100    93    94   104  -0.07550 -1.0 2.0
  100    93    94   104   0.20000  1.0 3.0
  100    93    96    97   0.15000  1.0 3.0
  100    93    96    98   0.15000  1.0 3.0
  100    93    96    99   0.15000  1.0 3.0
   81    67    79    80   0.00000  1.0 1.0
   81    67    79    89   0.09850  1.0 1.0
   81    67    79    89   0.15250 -1.0 2.0
   81    67    79    89  -0.50650  1.0 3.0
   81    67    94    93   0.56750  1.0 1.0
   81    67    94    93  -0.07550 -1.0 2.0
   81    67    94    93   0.20000  1.0 3.0
   81    67    94    95   0.15000  1.0 3.0
   81    67    94   104   0.56750  1.0 1.0
   81    67    94   104  -0.07550 -1.0 2.0
   81    67    94   104   0.20000  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    66   0.61850  1.0 1.0
   61    55    59    66  -0.22750 -1.0 2.0
   61    55    59    66   0.15300  1.0 3.0
   61    55    59    67   0.62750  1.0 1.0
   61    55    59    67  -0.30950 -1.0 2.0
   61    55    59    67   0.27300  1.0 3.0
   61    68    85    86   0.00000  1.0 1.0
   61    68    85    87   0.00000  1.0 1.0
   61    68    85    88   0.00000  1.0 1.0
   69    68    85    86   0.00000  1.0 1.0
   69    68    85    87   0.00000  1.0 1.0
   69    68    85    88   0.00000  1.0 1.0
   57    47    55    56   0.23400  1.0 3.0
   57    47    55    59   0.62750  1.0 1.0
   57    47    55    59  -0.30950 -1.0 2.0
   57    47    55    59   0.27300  1.0 3.0
   57    47    55    61   1.11900  1.0 1.0
   57    47    55    61  -1.16350 -1.0 2.0
   57    47    55    61  -0.34150  1.0 3.0
   57    62    70    71   0.00000  1.0 1.0
   57    62    70    72   0.00000  1.0 1.0
   57    62    70    73   0.00000  1.0 1.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    70    72   0.00000  1.0 1.0
   63    62    70    73   0.00000  1.0 1.0
   49    44    47    48   0.15000  1.0 3.0
   49    44    47    55   0.56750  1.0 1.0
   49    44    47    55  -0.07550 -1.0 2.0
   49    44    47    55   0.20000  1.0 3.0
   49    44    47    57   0.62750  1.0 1.0
   49    44    47    57  -0.30950 -1.0 2.0
   49    44    47    57   0.27300  1.0 3.0
   49    44    74    33   0.56750  1.0 1.0
   49    44    74    33  -0.07550 -1.0 2.0
   49    44    74    33   0.20000  1.0 3.0
   49    44    74    66   0.34400  1.0 1.0
   49    44    74    66   0.09450 -1.0 2.0
   49    44    74    66   0.11100  1.0 3.0
   49    44    74    75   0.62750  1.0 1.0
   49    44    74    75  -0.30950 -1.0 2.0
   49    44    74    75   0.27300  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
   37    30    35    36  10.50000 -1.0 2.0
   45    64    43    41   4.00000 -1.0 2.0
   53    46    45    43   1.10000 -1.0 2.0
   58    54    53    45   1.10000 -1.0 2.0
   58    65    64    43   1.10000 -1.0 2.0
   59    74    66    76   1.10000 -1.0 2.0
   77    78    76    66   1.10000 -1.0 2.0
   67    80    79    89   1.10000 -1.0 2.0
   91    90    89    79   1.10000 -1.0 2.0
   89    93    91    92  10.50000 -1.0 2.0
  104   109   107   108  10.50000 -1.0 2.0
   61    85    68    69  10.50000 -1.0 2.0
   57    70    62    63  10.50000 -1.0 2.0
END
