* LIGAND DATABASE FILE (OPLS2005)
*
001     118   121    221    337     634
    1     0 S   NP   _N1_     1    28.55683    96.74735   -24.41042
    2     1 S   H    _HN1     2     1.02957    70.48224     7.57562
    3     1 S   H    _H1_     3     1.02834    38.42148   168.95060
    4     1 S   H    _H2_     4     1.02777   108.89708   -95.80296
    5     1 S   CT   _CA1     5     1.50133   135.58722   107.12909
    6     5 S   HC   _HA1     6     1.09574   105.21346    95.02755
    7     5 S   CO3  _C1_     7     1.53787   112.38244   -25.16116
    8     7 S   O2Z  _O11     8     1.26366   115.00103   -43.35338
    9     7 S   O2Z  _O12     9     1.26238   114.93549   135.74168
   10     5 S   CT   _CB1    10     1.53083   107.41062  -147.05634
   11    10 S   HC   HB11    11     1.09827   109.32736   -50.44333
   12    10 S   HC   HB12    12     1.09817   110.42040    66.11010
   13    10 S   CT   _CG1    13     1.53014   112.68115  -171.51900
   14    13 S   HC   HG11    14     1.09593   110.48265   -64.39049
   15    13 S   HC   HG12    15     1.09656   109.92695    54.81834
   16    13 S   C    _CD1    16     1.51847   112.30732   175.17631
   17    16 S   O    _OE1    17     1.22728   123.20635    -0.09691
   18    16 S   N    _N2_    18     1.38530   111.65618   179.94405
   19    18 S   H    _HN2    19     1.01543   118.96452     4.84642
   20    18 S   CT1  _CA2    20     1.45858   123.04222   177.95570
   21    20 S   HC   _HA2    21     1.09713   108.82840    23.54363
   22    20 S   C    _C2_    22     1.53053   107.73984   -92.94567
   23    22 S   O    _O2_    23     1.22968   123.04024   -22.82664
   24    20 S   CT   _CB2    32     1.53348   111.81066   146.66898
   25    24 S   HC   HB21    33     1.09575   110.43620    45.97818
   26    24 S   HC   HB22    34     1.09078   109.66659   164.25368
   27    22 S   N    _N3_    24     1.38720   112.34080   159.68521
   28    27 S   H    _HN3    25     1.01700   119.53038    -5.03898
   29    24 S   S    _SG2    35     1.83253   110.28122   -74.08792
   30    27 S   CT   _CA3    26     1.45456   122.82011   178.07786
   31    30 S   HC   HA31    27     1.09532   109.17174   -32.91578
   32    30 S   HC   HA32    28     1.09552   106.65137    83.47816
   33    29 S   CT   _C20    36     1.86512   102.49721  -158.51410
   34    30 S   CO3  _C3_    29     1.52935   113.95758  -154.75731
   35    34 S   O2Z  _O31    30     1.26445   114.73539  -144.88166
   36    34 S   O2Z  _O32    31     1.26369   115.73814    35.58133
   37    33 S   CM   _C21    37     1.53926   109.39673   -48.78843
   38    33 S   CT   _C24   112     1.55286   108.24670  -169.21453
   39    38 S   HC   _H21   113     1.09837   110.23460    55.13895
   40    38 S   HC   _H22   114     1.09888   109.25644   170.64149
   41    37 S   CMA  _C22    38     1.34926   110.63429   113.68864
   42    41 S   OM   _O34    39     1.25232   136.70572  -179.97202
   43    37 S   CT   _C23   108     1.49457   122.79799   -66.50424
   44    43 S   HC   _H18   109     1.09410   110.59519   -63.16134
   45    43 S   HC   _H19   110     1.09486   111.90638   177.22399
   46    43 S   HC   _H20   111     1.09376   111.06717    57.38973
   47    38 S   CT   _C25   115     1.52661   115.70174   -67.80413
   48    47 S   HC   _H23   116     1.09315   111.65518   -61.55380
   49    47 S   HC   _H24   117     1.09524   109.63255   179.64946
   50    47 S   HC   _H25   118     1.09332   112.10684    60.43075
   51    41 S   NE   _N7_    40     1.37407   109.75327     1.02144
   52    51 S   H    _H17    41     1.01139   119.46852   170.89297
   53    33 S   CT   _C19    42     1.58221   116.21780    65.73359
   54    53 S   HC   _H4_    43     1.09865   108.97536   143.28286
   55    53 S   CT   _C18    44     1.53163   118.06403    18.59149
   56    55 S   HC   _H15    45     1.09650   109.72608    54.56474
   57    55 S   HC   _H16    46     1.09392   111.68664   -63.31474
   58    55 S   C5A  _C17    47     1.49856   112.74966   175.22435
   59    58 S   C5BC _C16    48     1.38674   131.57219   -82.27235
   60    59 S   C5BC _C15    49     1.43798   107.04119  -177.47230
   61    59 S   CT   _C26   104     1.48735   125.73099     2.32086
   62    61 S   HC   _H26   105     1.09484   110.55228   -51.48455
   63    61 S   HC   _H27   106     1.09468   110.21182    68.36968
   64    61 S   HC   _H28   107     1.09331   112.09639  -171.52164
   65    60 S   C5A  _C14    50     1.38574   106.88223     1.33031
   66    60 S   CT   _C27    95     1.49892   126.98670  -179.73020
   67    66 S   HC   _H29    96     1.09758   109.58273  -154.45537
   68    66 S   HC   _H30    97     1.09682   109.41386   -39.06861
   69    58 S   NA   _N6_    51     1.37221   120.62581    98.93103
   70    69 S   H    _H14    52     1.01375   124.83759    -1.32219
   71    65 S   CM   _C13    53     1.41019   134.07826  -179.41684
   72    71 S   HC   _H13    54     1.08816   115.88146    75.75240
   73    66 S   CT   _C28    98     1.52541   112.14773    83.52654
   74    73 S   HC   _H31    99     1.09776   109.65054    58.86826
   75    73 S   HC   _H32   100     1.09760   109.82527   -58.23595
   76    71 S   CM   _C12    55     1.34419   125.89658  -104.98689
   77    73 S   CO3  _C29   101     1.53071   114.96911  -179.66662
   78    77 S   O2Z  _O36   102     1.26532   114.04843  -179.96574
   79    77 S   O2Z  _O35   103     1.26128   116.71478     0.10835
   80    76 S   CM   _C30    56     1.46262   132.83432     2.33716
   81    80 S   CM   _C31    57     1.34303   109.71236  -177.90604
   82    80 S   CT   _C33    86     1.50179   126.55613     4.50546
   83    82 S   HC   _H36    87     1.09286   111.21989    28.09644
   84    82 S   HC   _H37    88     1.09851   109.18550   141.82337
   85    81 S   CD   _C11    58     1.46641   101.82151    -0.59807
   86    81 S   CT   _C32    82     1.47853   132.72756  -179.81025
   87    86 S   HC   _H33    83     1.09430   110.59465   120.96012
   88    86 S   HC   _H34    84     1.09348   112.26823     0.78808
   89    86 S   HC   _H35    85     1.09449   110.41695  -119.02655
   90    82 S   CT   _C34    89     1.52649   112.41761   -97.61222
   91    90 S   HC   _H38    90     1.09732   109.86000   -68.00885
   92    90 S   HC   _H39    91     1.09317   110.20256    49.17900
   93    76 S   NI   _N5_    59     1.38209   119.47424  -177.19028
   94    85 S   CT   _C10    60     1.50562   122.64354  -178.94057
   95    94 S   HC   _H11    61     1.09742   108.29439  -147.17101
   96    94 S   HC   _H12    62     1.09489   108.69458   -31.23015
   97    90 S   CO3  _C35    92     1.52983   114.89924   170.96334
   98    97 S   O2Z  _O38    93     1.26534   114.08396  -162.17996
   99    97 S   O2Z  _O37    94     1.26153   116.54218    18.47703
  100    94 S   CT   _C8_    63     1.52846   110.36916    90.75905
  101   100 S   HC   _H3_    64     1.09571   111.85551   -48.81228
  102   100 S   CM   _C7_    65     1.50600   113.73784  -175.28690
  103   102 S   CM   _C6_    66     1.34350   112.91233  -118.66416
  104   102 S   CT   _C36    78     1.49157   120.01919    63.25518
  105   104 S   HC   _H40    79     1.09404   110.63539   -69.66914
  106   104 S   HC   _H41    80     1.09371   112.34161   169.78743
  107   104 S   HC   _H42    81     1.09486   110.15967    50.26662
  108   103 S   C    _C9_    67     1.48010   106.58900    -0.01978
  109   108 S   O    _O33    68     1.21884   125.29913   179.72164
  110   103 S   CT   _C5_    71     1.48873   131.13457   178.89802
  111   110 S   HC   _H8_    72     1.09649   109.56621  -136.95276
  112   110 S   HC   _H9_    73     1.09555   110.61340   -20.56761
  113   100 S   N    _N4_    69     1.43992   111.63298    71.84769
  114   113 S   H    _H10    70     1.01518   123.86791   -60.52847
  115   110 S   CT   _C4_    74     1.52113   111.96501   101.37569
  116   115 S   HC   _H5_    75     1.09532   111.17229   -60.18185
  117   115 S   HC   _H6_    76     1.09477   110.13635  -179.78330
  118   115 S   HC   _H7_    77     1.09510   111.43539    60.54457
  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  12   5   4   3
  22   2   1   1  15  12   6   5  10   4   5   2   1   1   4   2
   1   1   7   3   7   4   9   4   3  11  13  17   6   2   1   1
  11  10   5   4   4   1   7   3   5   4   3  10   2   1   1  15
  14  11   5   4  12   5   2   1   1   5   4   3   4  10   5   4
   2   1   1  12   6  13  15   6   2   1   1   7   3   7   5   4
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    51    53    54    55    43    38    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    51    52    53    54    55    56    57    58    43    44    45    46    38    39    40    47    48    49    50  
   35    36  
   36  
    0  
   41    42    51    52    53    54    55    43    44    45    46    38    39    40    47  
   39    40    47    48    49    50    41    43    51    53    54    55  
   40    47    48    49    50    53  
   47    48    49    50    53  
   42    51    52    53    54    55    43    44    45    46  
   51    52    53    43  
   44    45    46    51    53  
   45    46  
   46  
    0  
   48    49    50    53  
   49    50  
   50  
    0  
   52    53    54    55    56    57    58  
   53    54    55  
   54    55    56    57    58    59    69  
   55    56    57    58  
   56    57    58    59    60    65    69    70    61  
   57    58    59    69  
   58    59    69  
   59    60    65    69    70    71    66    61    62    63    64  
   60    65    69    70    71    66    67    68    73    61    62    63    64  
   65    69    70    71    72    76    66    67    68    73    74    75    77    61    62    63    64  
   62    63    64    65    66    69  
   63    64  
   64  
    0  
   69    70    71    72    76    80    93    66    67    68    73  
   67    68    73    74    75    77    78    79    69    71  
   68    73    74    75    77  
   73    74    75    77  
   70    71    72    76  
   71  
   72    76    80    81    85    93    82  
   76    80    93  
   74    75    77    78    79  
   75    77    78    79  
   77    78    79  
   80    81    85    93    94    86    82    83    84    90  
   78    79  
   79  
    0  
   81    85    93    94    86    87    88    89    82    83    84    90    91    92    97  
   85    93    94    95    96   100    86    87    88    89    82    83    84    90  
   83    84    90    91    92    97    98    99    85    86    93  
   84    90    91    92    97  
   90    91    92    97  
   93    94    95    96   100   101   102   113    86    87    88    89  
   87    88    89    93    94  
   88    89  
   89  
    0  
   91    92    97    98    99  
   92    97    98    99  
   97    98    99  
   94    95    96   100  
   95    96   100   101   102   103   108   113   114   104  
   96   100   101   102   113  
  100   101   102   113  
   98    99  
   99  
    0  
  101   102   103   108   109   113   114   110   104   105   106   107  
  102   103   108   113   114   104  
  103   108   109   113   114   110   111   112   115   104   105   106   107  
  108   109   113   114   110   111   112   115   116   117   118   104   105   106   107  
  105   106   107   108   110   113  
  106   107  
  107  
    0  
  109   113   114   110   111   112   115  
  113   114   110  
  111   112   115   116   117   118   113  
  112   115   116   117   118  
  115   116   117   118  
  114  
    0  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   77   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   94   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  103   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  110   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
  113   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  114   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  115   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    51   415.000  1.382
   51    52   434.000  1.010
   51    53   382.000  1.448
   53    54   340.000  1.090
   53    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   295.000  1.489
   58    59   546.000  1.367
   58    69   427.000  1.381
   59    60   469.000  1.424
   59    61   285.000  1.502
   60    65   546.000  1.367
   60    66   285.000  1.502
   65    69   427.000  1.381
   65    71   375.000  1.423
   69    70   434.000  1.010
   71    72   340.000  1.080
   71    76   549.000  1.340
   76    80   380.000  1.444
   76    93   405.000  1.380
   80    81   549.000  1.340
   80    82   317.000  1.510
   81    85   320.000  1.464
   81    86   317.000  1.510
   85    93   500.000  1.261
   85    94   270.000  1.508
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   100   268.000  1.529
  100   101   340.000  1.090
  100   102   317.000  1.510
  100   113   337.000  1.449
  102   103   549.000  1.340
  102   104   317.000  1.510
  103   108   410.000  1.444
  103   110   317.000  1.510
  108   109   570.000  1.229
  108   113   490.000  1.335
  113   114   434.000  1.010
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   115   268.000  1.529
  115   116   340.000  1.090
  115   117   340.000  1.090
  115   118   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    97   317.000  1.522
   97    98   656.000  1.250
   97    99   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   317.000  1.522
   77    78   656.000  1.250
   77    79   656.000  1.250
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    53    51    80.00000  111.61500
   33    53    54    37.50000  110.70000
   33    53    55    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    47    58.35000  112.70000
   37    41    42    65.00000  137.10300
   37    41    51    75.00000  114.40000
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    51    52    50.00000  121.48000
   41    51    53    50.00000  121.00000
   51    41    42   105.00000  113.92000
   51    53    54    35.00000  109.50000
   51    53    55    80.00000  111.61500
   53    33    37    70.00000  112.02700
   53    51    52    35.00000  112.50000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    70.00000  113.44400
   55    53    54    37.50000  110.70000
   55    58    59    50.00000  133.50000
   55    58    69    65.00000  122.56900
   57    55    56    33.00000  107.80000
   58    55    56    45.00000  110.47400
   58    55    57    45.00000  110.47400
   58    59    60    70.00000  107.30000
   58    59    61    60.00000  130.00000
   58    69    65    70.00000  109.80000
   58    69    70    35.00000  120.00000
   59    60    65    70.00000  107.30000
   59    60    66    60.00000  130.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   60    65    69    70.00000  107.70000
   60    65    71    50.00000  133.16000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    73    70.00000  112.17500
   65    69    70    35.00000  120.00000
   65    71    72    40.00000  117.26300
   65    71    76    55.00000  128.24000
   69    58    59    70.00000  107.70000
   71    65    69    70.00000  120.38000
   71    76    80    70.00000  123.01800
   71    76    93    70.00000  120.83400
   76    71    72    35.00000  120.00000
   76    80    81    70.00000  123.01800
   76    80    82    70.00000  124.00000
   76    93    85    75.00000  115.77100
   80    81    85    60.00000  120.31500
   80    81    86    70.00000  124.00000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    90    70.00000  112.02700
   81    85    93    70.00000  121.86000
   81    85    94    65.00000  117.24000
   81    86    87    35.00000  109.50000
   81    86    88    35.00000  109.50000
   81    86    89    35.00000  109.50000
   85    94    95    45.00000  109.49600
   85    94    96    45.00000  109.49600
   85    94   100    70.00000  111.76100
   93    76    80    70.00000  120.83400
   94    85    93    65.00000  122.10100
   94   100   101    37.50000  110.70000
   94   100   102    70.00000  112.02700
   94   100   113    70.00000  110.72300
   96    94    95    33.00000  107.80000
  100    94    95    37.50000  110.70000
  100    94    96    37.50000  110.70000
  100   102   103    70.00000  124.00000
  100   102   104    65.00000  117.92700
  100   113   108    50.00000  121.90000
  100   113   114    38.00000  118.40000
  102   100   101    35.00000  109.50000
  102   103   108    70.00000  118.70000
  102   103   110    70.00000  124.00000
  102   104   105    35.00000  109.50000
  102   104   106    35.00000  109.50000
  102   104   107    35.00000  109.50000
  103   108   109    80.00000  125.30000
  103   108   113    80.00000  111.56200
  103   110   111    35.00000  109.50000
  103   110   112    35.00000  109.50000
  103   110   115    70.00000  112.02700
  108   113   114    35.00000  119.80000
  113   100   101    35.00000  109.50000
  113   100   102    75.00000  110.78400
  113   108   109    80.00000  122.90000
  110   103   108    70.00000  119.70000
  110   115   116    37.50000  110.70000
  110   115   117    37.50000  110.70000
  110   115   118    37.50000  110.70000
  112   110   111    33.00000  107.80000
  115   110   111    37.50000  110.70000
  115   110   112    37.50000  110.70000
  117   115   116    33.00000  107.80000
  118   115   116    33.00000  107.80000
  118   115   117    33.00000  107.80000
  104   102   103    70.00000  124.00000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   86    81    85    65.00000  117.22000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   82    80    81    70.00000  124.00000
   82    90    91    37.50000  110.70000
   82    90    92    37.50000  110.70000
   82    90    97    70.00000  109.69300
   84    82    83    33.00000  107.80000
   90    82    83    37.50000  110.70000
   90    82    84    37.50000  110.70000
   90    97    98    70.00000  117.00000
   90    97    99    70.00000  117.00000
   92    90    91    33.00000  107.80000
   97    90    91    35.00000  109.50000
   97    90    92    35.00000  109.50000
   99    97    98    80.00000  126.00000
   66    60    65    60.00000  130.00000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    77    70.00000  109.69300
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    77    78    70.00000  117.00000
   73    77    79    70.00000  117.00000
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   79    77    78    80.00000  126.00000
   61    59    60    60.00000  130.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    53    58.35000  112.70000
   38    47    48    37.50000  110.70000
   38    47    49    37.50000  110.70000
   38    47    50    37.50000  110.70000
   40    38    39    33.00000  107.80000
   47    38    39    37.50000  110.70000
   47    38    40    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   83    82    90    92   0.15000  1.0 3.0
   83    82    90    97  -0.11250  1.0 3.0
   84    82    90    91   0.15000  1.0 3.0
   84    82    90    92   0.15000  1.0 3.0
   84    82    90    97  -0.11250  1.0 3.0
   91    90    97    98   0.00000  1.0 1.0
   91    90    97    99   0.00000  1.0 1.0
   92    90    97    98   0.00000  1.0 1.0
   92    90    97    99   0.00000  1.0 1.0
   66    60    65    69   3.62500 -1.0 2.0
   66    60    65    71   3.62500 -1.0 2.0
   66    73    77    78   0.41150 -1.0 2.0
   66    73    77    79   0.41150 -1.0 2.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    77  -0.11250  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    77  -0.11250  1.0 3.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   75    73    77    78   0.00000  1.0 1.0
   75    73    77    79   0.00000  1.0 1.0
   61    59    60    65   3.62500 -1.0 2.0
   61    59    60    66   3.62500 -1.0 2.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    51   7.00000 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    53    51   1.26750  1.0 1.0
   38    33    53    51  -0.00950 -1.0 2.0
   38    33    53    51   0.30600  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.56750  1.0 1.0
   38    33    53    55  -0.07550 -1.0 2.0
   38    33    53    55   0.20000  1.0 3.0
   39    38    47    48   0.15000  1.0 3.0
   39    38    47    49   0.15000  1.0 3.0
   39    38    47    50   0.15000  1.0 3.0
   40    38    47    48   0.15000  1.0 3.0
   40    38    47    49   0.15000  1.0 3.0
   40    38    47    50   0.15000  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   51    42    41    37   1.10000 -1.0 2.0
   52    41    51    53   1.00000 -1.0 2.0
   59    69    58    55   4.00000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   65    66    60    59   4.00000 -1.0 2.0
   71    69    65    60   4.00000 -1.0 2.0
   70    58    69    65   1.00000 -1.0 2.0
   65    72    71    76   1.10000 -1.0 2.0
   80    93    76    71   1.10000 -1.0 2.0
   76    82    80    81   1.10000 -1.0 2.0
   85    86    81    80   1.10000 -1.0 2.0
   81    94    85    93  10.50000 -1.0 2.0
  100   104   102   103   1.10000 -1.0 2.0
  108   110   103   102   1.10000 -1.0 2.0
  103   113   108   109  10.50000 -1.0 2.0
  114   108   113   100   1.00000 -1.0 2.0
   98    90    97    99  10.50000 -1.0 2.0
   78    73    77    79  10.50000 -1.0 2.0
END
