* LIGAND DATABASE FILE (OPLS2005)
*
001     118   119    213    304     612
    1     0 S   NP   _N1_     1    28.43006    95.40492   -22.58271
    2     1 S   H    _HN1     2     1.02960    82.14897    22.96824
    3     1 S   H    _H1_     3     1.02837    32.77290   162.47405
    4     1 S   H    _H2_     4     1.02779    96.73751   -84.69055
    5     1 S   CT   _CA1     5     1.50118   141.35976   135.98579
    6     5 S   HC   _HA1     6     1.09575   105.23045    74.08222
    7     5 S   CO3  _C1_     7     1.53782   112.39673   -46.12500
    8     7 S   O2Z  _O11     8     1.26358   115.00198   -43.74233
    9     7 S   O2Z  _O12     9     1.26239   114.92086   135.44931
   10     5 S   CT   _CB1    10     1.53100   107.43596  -168.01190
   11    10 S   HC   HB11    11     1.09825   109.31945   -50.87483
   12    10 S   HC   HB12    12     1.09818   110.41785    65.66940
   13    10 S   CT   _CG1    13     1.53016   112.68390  -171.98119
   14    13 S   HC   HG11    14     1.09596   110.44556   -64.00483
   15    13 S   HC   HG12    15     1.09654   109.97109    55.21195
   16    13 S   C    _CD1    16     1.51826   112.33674   175.55732
   17    16 S   O    _OE1    17     1.22715   123.25167    -1.88824
   18    16 S   N    _N2_    18     1.38623   111.63078   178.41860
   19    18 S   H    _HN2    19     1.01570   118.99625     1.76680
   20    18 S   CT1  _CA2    20     1.46226   123.46865   179.83449
   21    20 S   HC   _HA2    21     1.09731   109.49065    -2.02796
   22    20 S   C    _C2_    22     1.53464   108.17386  -117.68055
   23    22 S   O    _O2_    23     1.23022   122.30079  -142.51761
   24    20 S   CT   _CB2    32     1.53318   111.49253   120.03896
   25    24 S   HC   HB21    33     1.09561   109.96665    56.37840
   26    24 S   HC   HB22    34     1.09532   110.14858   175.32194
   27    22 S   N    _N3_    24     1.38530   113.43010    44.55472
   28    27 S   H    _HN3    25     1.01496   118.99421    -0.14265
   29    24 S   S    _SG2    35     1.82824   111.69804   -64.92276
   30    27 S   CT   _CA3    26     1.45445   123.39460   175.39215
   31    30 S   HC   HA31    27     1.09525   109.23307    25.06924
   32    30 S   HC   HA32    28     1.09497   107.13663   142.05613
   33    29 S   CT   _C18    36     1.84816    99.21248   178.37237
   34    33 S   HC   _H3_    37     1.09612   106.52664    41.23234
   35    30 S   CO3  _C3_    29     1.52912   113.05288   -98.40668
   36    35 S   O2Z  _O31    30     1.26404   115.35886   -46.18597
   37    35 S   O2Z  _O32    31     1.26349   115.01380   134.72572
   38    33 S   CM   _C6_    38     1.50931   109.17058   -75.25127
   39    38 S   HC   _H45    39     1.09007   117.01053   -21.48508
   40    33 S   CM   _C12    76     1.53436   108.34328   159.81767
   41    38 S   CM   _C7_    40     1.34244   127.19203   157.57191
   42    41 S   HC   _H46    41     1.08978   116.07171  -177.54537
   43    40 S   CT   _C27    77     1.51660   115.91980    90.18210
   44    43 S   HC   _H61    78     1.09525   110.25387   -52.90385
   45    43 S   HC   _H62    79     1.09181   114.27923  -172.68928
   46    43 S   HC   _H63    80     1.09463   110.57164    67.25975
   47    41 S   CT   _C20    42     1.51453   128.61050     3.38830
   48    47 S   HC   _H52    43     1.09652   112.17431     2.09490
   49    47 S   CT   _C22    44     1.55923   109.16201   122.06456
   50    49 S   HC   _H54    45     1.09933   106.34957   -57.71926
   51    47 S   OS   _O38   114     1.43359   107.29686  -118.96369
   52    49 S   CM   _C11    46     1.53296   116.65734   179.77971
   53    49 S   OS   _O37   108     1.45630   108.44405    58.89328
   54    51 S   CT   _C30   115     1.42296   112.88365    86.87854
   55    54 S   HC   _H70   116     1.09330   108.16760   179.48149
   56    54 S   HC   _H71   117     1.09427   110.44113    60.92884
   57    54 S   HC   _H72   118     1.09377   111.01484   -61.63943
   58    52 S   CM   _C8_    47     1.35189   119.54574   124.18903
   59    58 S   HC   _H47    48     1.09026   117.49726    -5.82642
   60    52 S   CT   _C26   104     1.50707   116.37306   -60.74595
   61    60 S   HC   _H58   105     1.09466   110.99395   -42.42032
   62    60 S   HC   _H59   106     1.09043   113.89531  -162.07069
   63    60 S   HC   _H60   107     1.09418   110.07634    77.91202
   64    53 S   CO4  _C16   109     1.36090   118.06745  -144.82224
   65    64 S   O    _O36   110     1.22491   125.91463     0.07662
   66    58 S   CT   _C19    49     1.51933   128.15554   168.87394
   67    66 S   HC   _H51    50     1.09340   108.49596   -15.98971
   68    64 S   N    _N32   111     1.36885   110.05696  -179.93744
   69    68 S   H    _H83   112     1.01319   121.02127   179.92598
   70    68 S   H    _H84   113     1.01324   120.98911     0.16071
   71    66 S   CT   _C25    51     1.55848   114.69356   103.32986
   72    71 S   HC   _H57    52     1.09972   107.38125   174.10113
   73    66 S   CT   _C28   100     1.53548   108.98810  -128.62782
   74    73 S   HC   _H64   101     1.09381   112.81612   -53.61807
   75    73 S   HC   _H65   102     1.09499   111.00733  -175.61197
   76    73 S   HC   _H66   103     1.09675   110.19754    65.55270
   77    71 S   CT   _C24    53     1.55571   116.01902    54.43037
   78    77 S   HC   _H56    54     1.09370   109.20681   -59.08168
   79    71 S   OS   _O41    95     1.43582   108.45586   -68.30134
   80    77 S   CT   _C17    55     1.55307   112.07939   178.82164
   81    80 S   HC   _H48    56     1.09863   107.69280   -41.37024
   82    80 S   HC   _H49    57     1.09587   110.03269  -153.59639
   83    77 S   OS   _O40    90     1.43431   107.85131    60.49297
   84    79 S   CT   _C33    96     1.42188   113.67177   -86.44603
   85    84 S   HC   _H79    97     1.09334   108.11184  -179.43042
   86    84 S   HC   _H80    98     1.09244   111.51908    61.52084
   87    84 S   HC   _H81    99     1.09414   110.43629   -60.96904
   88    80 S   CT   _C23    58     1.54728   114.65079    82.07929
   89    88 S   HC   _H55    59     1.09498   110.45360   -11.21600
   90    83 S   CT   _C32    91     1.42185   113.23819  -149.34771
   91    90 S   HC   _H76    92     1.09330   108.15344   178.27354
   92    90 S   HC   _H77    93     1.09427   110.54209    59.73991
   93    90 S   HC   _H78    94     1.09195   111.06893   -62.94968
   94    88 S   CT   _C21    60     1.55916   113.77507   110.89632
   95    94 S   HC   _H53    61     1.09982   106.72109    72.07216
   96    88 S   CT   _C29    86     1.54083   109.58488  -127.28567
   97    96 S   HC   _H67    87     1.09550   111.13148   -63.73411
   98    96 S   HC   _H68    88     1.09483   111.29468   175.79513
   99    96 S   HC   _H69    89     1.09367   111.12212    56.29570
  100    94 S   CM   _C9_    62     1.51787   116.12922   -49.99247
  101    94 S   OS   _O39    81     1.44018   107.28419  -172.28121
  102   100 S   CM   _C4_    63     1.33935   120.66936   119.01646
  103   102 S   HC   _H43    64     1.08506   121.64198    -1.42505
  104   101 S   CT   _C31    82     1.42188   113.60596  -153.30404
  105   104 S   HC   _H73    83     1.09337   108.15231   178.75086
  106   104 S   HC   _H74    84     1.09414   110.50233    60.21057
  107   104 S   HC   _H75    85     1.09354   111.07094   -62.48023
  108   102 S   CO4  _C14    65     1.46855   122.10674   178.44732
  109   108 S   O    _O34    66     1.22532   121.39417   174.33597
  110   108 S   CM   _C5_    67     1.46964   117.11089    -7.06675
  111   110 S   HC   _H44    68     1.08584   115.72178  -173.61718
  112   110 S   CM   _C10    69     1.34194   123.34613     5.29535
  113   100 S   CO4  _C15    70     1.49389   119.55484   -61.39886
  114   113 S   O    _O35    71     1.22740   119.64105    13.87138
  115   112 S   NE   _N31    72     1.39263   121.12136   179.59846
  116   115 S   H    _H82    73     1.01485   112.82674   -13.63704
  117   115 S   CMA  _C13    74     1.39640   134.32549   162.93150
  118   117 S   OM   _O33    75     1.26402   111.22691   -37.43263
  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   8   5   4   3
  14   6   2   1   1  10   4  10   9   4   6   3   2   1  13   6
  15   6   6  12   7   3   2   1   1  15   5   4   2   1   1   4
   3  13   8   2   1   1  18   7   5   2   1   1  15   7   6  14
   6   5   5   3   2   1   1  12   8   3   2   1   1  17   6   5
   2   1   1  11   6   8   4   3   2   1   1   6   3   7   3   6
   4   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41   117    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47   115   117   118    40    43    44    45    46  
   38    39    41   117    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49   117    40    43    51  
   41    42    47    40  
   43    44    45    46    41   112   115   116   117   118  
   42    47    48    49    50    52    53    51    54  
   47    48    49    51  
   44    45    46   115   117   118  
   45    46   117  
   46   117  
  117  
   48    49    50    52    58    60    53    64    51    54    55    56    57  
   49    50    52    53    51    54  
   50    52    58    59    66    60    61    62    63    53    64    65    68    51    54  
   52    58    60    53    64    51  
   54    55    56    57    52    53  
   58    59    66    67    71    73    60    61    62    63    53    64  
   64    65    68    69    70    58    60  
   55    56    57  
   56    57  
   57  
    0  
   59    66    67    71    72    77    79    73    74    75    76    60    61    62    63  
   66    67    71    73    60  
   61    62    63    66  
   62    63  
   63  
    0  
   65    68    69    70  
   68    69    70  
   67    71    72    77    78    80    83    79    84    73    74    75    76  
   71    72    77    79    73    74    75    76  
   69    70  
   70  
    0  
   72    77    78    80    81    82    88    83    90    79    84    85    86    87    73    74    75    76  
   77    78    80    83    79    84    73  
   74    75    76    77    79  
   75    76  
   76  
    0  
   78    80    81    82    88    89    94    96    83    90    91    92    93    79    84  
   80    81    82    88    83    90    79  
   84    85    86    87    80    83  
   81    82    88    89    94    95   100   101    96    97    98    99    83    90  
   82    88    89    94    96    83  
   88    89    94    96    83  
   90    91    92    93    88  
   85    86    87  
   86    87  
   87  
    0  
   89    94    95   100   102   113   101   104    96    97    98    99  
   94    95   100   101    96    97    98    99  
   91    92    93  
   92    93  
   93  
    0  
   95   100   102   103   108   112   113   114   101   104   105   106   107    96    97    98    99  
  100   102   113   101   104    96  
   97    98    99   100   101  
   98    99  
   99  
    0  
  102   103   108   109   110   112   113   114   115   101   104  
  104   105   106   107   102   113  
  103   108   109   110   111   112   113   114  
  108   109   110   113  
  105   106   107  
  106   107  
  107  
    0  
  109   110   111   112   113   115  
  110   111   112  
  111   112   113   114   115   116   117  
  112   113   115  
  113   114   115   116   117   118  
  114   115   116   117  
  115  
  116   117   118  
  117   118  
  118  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  110   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  111   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
  113   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  115   3.2500   0.1700  -0.894200   1.8650   1.6500   0.051222218  -2.220205820
  116   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
  117   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
  118   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
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    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    53   320.000  1.410
   52    58   549.000  1.340
   52    60   317.000  1.510
   58    59   340.000  1.080
   58    66   317.000  1.510
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    73   268.000  1.529
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    79   320.000  1.410
   77    78   340.000  1.090
   77    80   268.000  1.529
   77    83   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    88   268.000  1.529
   88    89   340.000  1.090
   88    94   268.000  1.529
   88    96   268.000  1.529
   94    95   340.000  1.090
   94   100   317.000  1.510
   94   101   320.000  1.410
  100   102   549.000  1.340
  100   113   320.000  1.462
  102   103   340.000  1.080
  102   108   320.000  1.462
  108   109   570.000  1.229
  108   110   320.000  1.462
  110   111   340.000  1.080
  110   112   549.000  1.340
  112   113   320.000  1.462
  112   115   425.000  1.378
  113   114   570.000  1.229
  115   116   434.000  1.010
  115   117   415.000  1.382
  117   118   745.000  1.250
  117    40   465.000  1.376
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
  101   104   320.000  1.410
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   83    90   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   79    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   53    64   214.000  1.327
   64    65   570.000  1.229
   64    68   435.000  1.380
   68    69   434.000  1.010
   68    70   434.000  1.010
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40   117    70.00000  124.00000
   33    40    43    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   41    38    39    35.00000  120.00000
   41    47    48    35.00000  109.50000
   41    47    49    70.00000  112.02700
   41    47    51    85.00000  110.90400
   47    41    42    35.00000  117.00000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    53    50.00000  109.50000
   47    51    54    60.00000  109.50000
   49    47    48    37.50000  110.70000
   49    52    58    70.00000  124.00000
   49    52    60    65.00000  117.92700
   49    53    64    83.00000  116.90000
   52    49    50    35.00000  109.50000
   52    58    59    35.00000  120.00000
   52    58    66    70.00000  124.00000
   52    60    61    35.00000  109.50000
   52    60    62    35.00000  109.50000
   52    60    63    35.00000  109.50000
   58    66    67    35.00000  109.50000
   58    66    71    70.00000  112.02700
   58    66    73    70.00000  112.02700
   66    58    59    35.00000  117.00000
   66    71    72    37.50000  110.70000
   66    71    77    58.35000  112.70000
   66    71    79    50.00000  109.50000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   71    66    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    80    58.35000  112.70000
   71    77    83    50.00000  109.50000
   71    79    84    60.00000  109.50000
   77    71    72    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    88    58.35000  112.70000
   77    83    90    60.00000  109.50000
   80    77    78    37.50000  110.70000
   80    88    89    37.50000  110.70000
   80    88    94    58.35000  112.70000
   80    88    96    58.35000  112.70000
   82    80    81    33.00000  107.80000
   88    80    81    37.50000  110.70000
   88    80    82    37.50000  110.70000
   88    94    95    37.50000  110.70000
   88    94   100    70.00000  112.02700
   88    94   101    50.00000  109.50000
   88    96    97    37.50000  110.70000
   88    96    98    37.50000  110.70000
   88    96    99    37.50000  110.70000
   94    88    89    37.50000  110.70000
   94   100   102    70.00000  124.00000
   94   100   113    65.00000  116.34900
   94   101   104    60.00000  109.50000
  100    94    95    35.00000  109.50000
  100   102   103    35.00000  120.00000
  100   102   108    65.00000  118.96000
  100   113   112    65.00000  118.65900
  100   113   114    80.00000  123.72100
  102   108   109    80.00000  123.72100
  102   108   110    65.00000  118.65900
  108   102   103    40.00000  117.72500
  108   110   111    40.00000  117.72500
  108   110   112    65.00000  118.96000
  110   108   109    80.00000  123.72100
  110   112   113    65.00000  118.96000
  110   112   115    70.00000  124.03900
  112   110   111    35.00000  120.00000
  112   113   114    80.00000  123.72100
  112   115   116    35.00000  114.50000
  112   115   117    75.00000  118.45600
  113   100   102    65.00000  118.96000
  115   112   113    70.00000  117.92000
  115   117   118   105.00000  113.92000
  115   117    40    75.00000  114.40000
  117   115   116    50.00000  121.48000
  117    40    43    70.00000  124.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40   117   118    65.00000  137.10300
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
  101    94    95    35.00000  109.50000
  101    94   100    85.00000  110.90400
  101   104   105    35.00000  109.50000
  101   104   106    35.00000  109.50000
  101   104   107    35.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   96    88    89    37.50000  110.70000
   96    88    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
   83    77    78    35.00000  109.50000
   83    77    80    50.00000  109.50000
   83    90    91    35.00000  109.50000
   83    90    92    35.00000  109.50000
   83    90    93    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   79    71    72    35.00000  109.50000
   79    71    77    50.00000  109.50000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    52    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    52    85.00000  110.90400
   53    64    65    83.00000  123.40000
   53    64    68   110.00000  108.75700
   64    68    69    50.00000  116.34900
   64    68    70    50.00000  116.34900
   68    64    65    85.00000  125.96000
   70    68    69    35.00000  120.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   79    71    77    83  -1.16350 -1.0 2.0
   79    71    77    83  -0.34150  1.0 3.0
   73    66    71    72   0.15000  1.0 3.0
   73    66    71    77   0.56750  1.0 1.0
   73    66    71    77  -0.07550 -1.0 2.0
   73    66    71    77   0.20000  1.0 3.0
   73    66    71    79   0.62750  1.0 1.0
   73    66    71    79  -0.30950 -1.0 2.0
   73    66    71    79   0.27300  1.0 3.0
   60    52    58    59   7.00000 -1.0 2.0
   60    52    58    66   7.00000 -1.0 2.0
   53    49    52    58   0.39000  1.0 1.0
   53    49    52    58  -0.05800 -1.0 2.0
   53    49    52    58  -0.55150  1.0 3.0
   53    49    52    60   0.09700  1.0 1.0
   53    49    52    60   0.15600 -1.0 2.0
   53    49    52    60  -0.50800  1.0 3.0
   53    64    68    69   2.56700 -1.0 2.0
   53    64    68    70   2.56700 -1.0 2.0
   65    64    68    69   2.45000 -1.0 2.0
   65    64    68    70   2.45000 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    53   1.11900  1.0 1.0
   51    47    49    53  -1.16350 -1.0 2.0
   51    47    49    53  -0.34150  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
   33    39    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   49    60    52    58   1.10000 -1.0 2.0
   66    59    58    52   1.10000 -1.0 2.0
   94   113   100   102   1.10000 -1.0 2.0
  108   103   102   100   1.10000 -1.0 2.0
  102   110   108   109  10.50000 -1.0 2.0
  108   111   110   112   1.10000 -1.0 2.0
  113   115   112   110   1.10000 -1.0 2.0
  100   112   113   114  10.50000 -1.0 2.0
  116   112   115   117   1.00000 -1.0 2.0
  115   118   117    40   1.10000 -1.0 2.0
   33    43    40   117   1.10000 -1.0 2.0
   53    68    64    65  10.50000 -1.0 2.0
   70    64    68    69   1.00000 -1.0 2.0
END
