* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    215    339     636
    1     0 S   NP   _N1_     1    28.88080    95.38120   -19.63104
    2     1 S   H    _HN1     2     1.02838    36.99255   149.87310
    3     1 S   H    _H1_     3     1.02778    80.41871   -72.24326
    4     1 S   H    _H2_     4     1.02959    93.44709    35.76543
    5     1 S   CT   _CA1     5     1.50104   146.26770   171.77658
    6     5 S   HC   _HA1     6     1.09574   105.26458    45.33027
    7     5 S   CO3  _C1_     7     1.53803   112.31173   -74.93036
    8     7 S   O2Z  _O11     8     1.26361   115.00535   -45.79737
    9     7 S   O2Z  _O12     9     1.26230   114.90100   133.44537
   10     5 S   CT   _CB1    10     1.53097   107.44143   163.23951
   11    10 S   HC   HB11    11     1.09815   109.38196   -50.72345
   12    10 S   HC   HB12    12     1.09822   110.43143    65.85328
   13    10 S   CT   _CG1    13     1.52975   112.60304  -171.87034
   14    13 S   HC   HG11    14     1.09478   110.36882   -60.67445
   15    13 S   HC   HG12    15     1.09638   110.12109    58.29661
   16    13 S   C    _CD1    16     1.51803   112.20699   178.29958
   17    16 S   O    _OE1    17     1.22730   123.12826   -14.10820
   18    16 S   N    _N2_    18     1.38544   111.71297   167.17283
   19    18 S   H    _HN2    19     1.01596   119.07527    -0.32021
   20    18 S   CT1  _CA2    20     1.46224   123.54077   178.91448
   21    20 S   HC   _HA2    21     1.09739   109.43083   -11.68201
   22    20 S   C    _C2_    22     1.53569   108.02483  -127.04739
   23    22 S   O    _O2_    23     1.23006   122.36266  -146.23840
   24    20 S   CT   _CB2    32     1.53619   111.53943   110.66161
   25    24 S   HC   HB21    33     1.09376   108.78385    51.44388
   26    24 S   HC   HB22    34     1.09194   109.62613   170.08817
   27    22 S   N    _N3_    24     1.38558   113.34966    41.26700
   28    27 S   H    _HN3    25     1.01516   118.88105    -0.81108
   29    24 S   S    _SG2    35     1.83196   111.28809   -68.94501
   30    27 S   CT   _CA3    26     1.45453   123.54137   175.07439
   31    30 S   HC   HA31    27     1.09516   109.34684    22.12832
   32    30 S   HC   HA32    28     1.09499   107.08476   139.14629
   33    29 S   CT   _C10    36     1.92966   103.54688  -172.10842
   34    30 S   CO3  _C3_    29     1.52928   113.07736  -101.43314
   35    34 S   O2Z  _O31    30     1.26409   115.40732   -44.31101
   36    34 S   O2Z  _O32    31     1.26358   114.99526   136.64584
   37    33 S   CM   _C8_    37     1.56744   105.21995   -57.15369
   38    33 S   CT   _C11    58     1.59650   106.74073    69.19283
   39    38 S   OM   _O38    59     1.32728   112.60447  -162.53500
   40    38 S   HC   _H5_    60     1.09586   109.82977   -29.42839
   41    37 S   CT   _C7_    38     1.55021   115.56694   -86.67494
   42    41 S   HC   _H4_    39     1.09042   102.57055    54.07487
   43    37 S   CM   _C9_   111     1.34712   119.94721    92.21530
   44    43 S   HC   _H12   112     1.08520   121.72340    -0.63180
   45    43 S   HC   _H13   113     1.07718   124.42540  -176.73391
   46    41 S   CT   _C6_    40     1.56960   110.48949   -57.07747
   47    46 S   HC   _H3_    41     1.09233   111.25542  -102.90356
   48    41 S   CT   _C23    79     1.62279   120.20585   167.62519
   49    46 S   CT   _C15    42     1.55007   113.46471    18.65519
   50    49 S   HC   _H7_    43     1.09766   107.39695   -77.48683
   51    46 S   OS   _O34    72     1.45832   106.90988   138.49983
   52    48 S   CM   _C24    80     1.53188   112.02999  -179.78511
   53    52 S   HC   _H25    81     1.08898   116.25684   -67.88994
   54    48 S   CT   _C34   107     1.56056   109.54895    68.42929
   55    54 S   HC   _H38   108     1.08840   114.45810   -68.49108
   56    54 S   HC   _H39   109     1.09843   111.37238   170.17441
   57    54 S   HC   _H40   110     1.09467   112.43276    52.50762
   58    33 S   CT   _C14    44     1.62338   109.68093  -178.64059
   59    49 S   OS   _O35    65     1.44749   110.19233   165.45654
   60    51 S   CO4  _C5_    73     1.36093   119.63915   140.21187
   61    60 S   O    _O33    74     1.22263   126.68296    -2.47045
   62    52 S   CM   _C25    82     1.33585   128.03595   117.23055
   63    62 S   HC   _H26    83     1.08385   121.50738   175.48542
   64    58 S   CT   _C13    45     1.58501   105.18348  -101.84637
   65    64 S   HC   _H6_    46     1.10093   108.11365   -99.43928
   66    58 S   CT   _C18    61     1.55331   115.27837    20.20274
   67    66 S   HC   _H19    62     1.09254   112.88032    51.19253
   68    66 S   HC   _H20    63     1.09439   112.23659   -68.73963
   69    66 S   HC   _H21    64     1.09591   111.50843   171.43572
   70    59 S   CO4  _C16    66     1.36371   117.39021    82.85542
   71    70 S   O    _O36    67     1.22346   126.47013     2.07575
   72    60 S   CT   _C4_    75     1.49808   109.28773   177.98530
   73    72 S   HC   _H9_    76     1.09301   109.79196   -59.94832
   74    72 S   HC   _H10    77     1.09371   109.37137  -178.91845
   75    72 S   HC   _H11    78     1.09291   109.80832    61.93204
   76    62 S   CO4  _C26    84     1.47488   120.79607    -5.04217
   77    76 S   O    _O39    85     1.22916   118.94005   167.00255
   78    64 S   C5BC _C19    47     1.50409   118.37811   141.46909
   79    64 S   CT   _C12    55     1.53573   105.34626    13.69264
   80    79 S   HC   _H14    56     1.09744   110.93822    82.65689
   81    79 S   HC   _H15    57     1.09883   111.50240  -159.27364
   82    70 S   CT   _C17    68     1.49861   109.79149  -178.78469
   83    82 S   HC   _H16    69     1.09172   109.80345   -81.92001
   84    82 S   HC   _H17    70     1.09373   109.20131   158.01880
   85    82 S   HC   _H18    71     1.09362   110.24130    39.88429
   86    76 S   CT   _C27    86     1.52554   117.45172   -16.29100
   87    78 S   C5BC _C20    48     1.42583   126.40710    96.29728
   88    87 S   HA   _H22    49     1.07973   127.27697    -0.34605
   89    48 S   CT   _C28    87     1.61456   110.36155   -58.00374
   90    89 S   HC   _H8_    88     1.09367   107.22749    26.53750
   91    86 S   CT   _C32    99     1.54282   106.57042   -78.48509
   92    91 S   HC   _H32   100     1.09315   111.02836   171.15880
   93    91 S   HC   _H33   101     1.09323   113.20087    47.91695
   94    91 S   HC   _H34   102     1.09684   110.95912   -69.48642
   95    86 S   CT   _C33   103     1.54475   109.16461   167.73769
   96    95 S   HC   _H35   104     1.09499   111.18238  -176.90623
   97    95 S   HC   _H36   105     1.09735   111.32218    63.87072
   98    95 S   HC   _H37   106     1.09421   112.31971   -54.16005
   99    87 S   C5A  _C21    50     1.37400   106.86620   179.43629
  100    99 S   HA   _H23    51     1.08014   133.84299   179.87028
  101    89 S   CT   _C29    89     1.56172   113.12548   143.43805
  102   101 S   HC   _H27    90     1.09548   110.22535    88.04432
  103   101 S   HC   _H28    91     1.09099   112.86539   -31.77542
  104    99 S   OA   _O37    52     1.35580   110.42021    -0.50319
  105   101 S   CO4  _C30    92     1.51801   113.59712  -147.94681
  106   105 S   O    _O40    93     1.22359   124.88557    32.93282
  107    78 S   C5A  _C22    53     1.38307   128.86923   -85.40121
  108   107 S   HA   _H24    54     1.08070   133.46672     0.98238
  109   105 S   OS   _O41    94     1.36501   109.39064  -149.10335
  110   109 S   CT   _C31    95     1.43044   115.18202  -179.54415
  111   110 S   HC   _H29    96     1.09326   108.11024  -178.89962
  112   110 S   HC   _H30    97     1.09419   110.25789    62.40729
  113   110 S   HC   _H31    98     1.09431   110.31558   -60.21136
  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
  25   2   1   1  20  13   6   5  24   9   5   1   1  16   7  20
  16   6   8  13   5   8   3   2   1  14   8   5   4   7   3  15
   7   5   2   1   1   5   4   3   2   1   1  13   4  10   4   1
   1   3   2   1   1  14   6   4  15   6   8   3   2   1   4   2
   1   1   4   2   6   4   3   2   6   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    49    58    64    79    38    39    40    66    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    46    49    50    58    64    65    78    79    80    81    38    39    40    66    67    68    69    59    48    43    44    45  
   35    36  
   36  
    0  
   41    42    46    47    49    58    64    79    38    39    40    66    51    48    52    89    54    43    44    45  
   39    40    66    43    41    49    58    64    65    78    79    80    81  
   40    58    64    79    80    81  
   58    64    79    80    81  
   42    46    47    49    50    58    59    51    60    48    52    53    62    86    89    90   101    54    55    56    57    43    44    45  
   46    47    49    51    48    52    89    54    43  
   44    45    46    48    58  
   45  
    0  
   47    49    50    58    64    66    59    70    51    60    61    72    48    52    89    54  
   49    50    58    59    51    60    48  
   52    53    62    63    76    86    89    90   101   102   103   105    91    95    54    55    56    57    49    51  
   50    58    64    65    78    79    66    67    68    69    59    70    71    82    51    60  
   58    64    66    59    70    51  
   60    61    72    73    74    75    58    59  
   53    62    63    76    77    86    89    90   101    54    55    56    57  
   62    63    76    89    54  
   55    56    57    62    86    89    90   101  
   56    57    89  
   57    89  
   89  
   64    65    78    87   107    79    80    81    66    67    68    69    59    70  
   70    71    82    83    84    85    64    66  
   61    72    73    74    75  
   72    73    74    75  
   63    76    77    86    89    91    95  
   76    77    86  
   65    78    87    88    99   104   107   108    79    80    81    66    67    68    69  
   78    87   107    79    80    81    66  
   67    68    69    78    79  
   68    69  
   69  
    0  
   71    82    83    84    85  
   82    83    84    85  
   73    74    75  
   74    75  
   75  
    0  
   77    86    89    90   101    91    92    93    94    95    96    97    98  
   86    89    91    95  
   87    88    99   100   104   107   108    79    80    81  
   80    81    87   107  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
   89    90   101   102   103   105    91    92    93    94    95    96    97    98  
   88    99   100   104   107   108  
   99   100   104   107  
   90   101   102   103   105   106   109    91    92    93    94    95    96    97    98  
  101   102   103   105    91    95  
   92    93    94    95    96    97    98   101  
   93    94    95  
   94    95  
   95  
   96    97    98   101  
   97    98  
   98  
    0  
  100   104   107   108  
  104   107  
  102   103   105   106   109   110  
  103   105   106   109  
  105   106   109  
  107   108  
  106   109   110   111   112   113  
  109   110  
  108  
    0  
  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   0.167500   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   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  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  105   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  108   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  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    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    58   268.000  1.529
   33    38   268.000  1.529
   37    41   317.000  1.510
   37    43   549.000  1.340
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    51   320.000  1.410
   49    50   340.000  1.090
   49    58   268.000  1.529
   49    59   320.000  1.410
   58    64   268.000  1.529
   58    66   268.000  1.529
   64    65   340.000  1.090
   64    78   285.000  1.502
   64    79   268.000  1.529
   78    87   469.000  1.424
   78   107   546.000  1.367
   87    88   367.000  1.080
   87    99   546.000  1.367
   99   100   367.000  1.080
   99   104   340.000  1.360
  104   107   340.000  1.360
  107   108   367.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    38   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   59    70   214.000  1.327
   70    71   570.000  1.229
   70    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   51    60   214.000  1.327
   60    61   570.000  1.229
   60    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   48    52   317.000  1.510
   48    89   268.000  1.529
   48    54   268.000  1.529
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   340.000  1.080
   62    76   320.000  1.462
   76    77   570.000  1.229
   76    86   317.000  1.522
   86    89   268.000  1.529
   86    91   268.000  1.529
   86    95   268.000  1.529
   89    90   340.000  1.090
   89   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   105   317.000  1.522
  105   106   570.000  1.229
  105   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
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   43    44   340.000  1.080
   43    45   340.000  1.080
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    58    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    65.00000  117.92700
   33    37    43    70.00000  124.00000
   33    58    49    58.35000  112.70000
   33    58    64    58.35000  112.70000
   33    58    66    58.35000  112.70000
   33    38    79    58.35000  112.70000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   37    41    42    35.00000  109.50000
   37    41    46    70.00000  112.02700
   37    41    48    70.00000  112.02700
   37    43    44    35.00000  120.00000
   37    43    45    35.00000  120.00000
   41    46    47    37.50000  110.70000
   41    46    49    58.35000  112.70000
   41    46    51    50.00000  109.50000
   41    48    52    70.00000  112.02700
   41    48    89    58.35000  112.70000
   41    48    54    58.35000  112.70000
   46    41    42    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    58    58.35000  112.70000
   46    49    59    50.00000  109.50000
   46    51    60    83.00000  116.90000
   49    46    47    37.50000  110.70000
   49    58    64    58.35000  112.70000
   49    58    66    58.35000  112.70000
   49    59    70    83.00000  116.90000
   58    33    37    70.00000  112.02700
   58    49    50    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    78    70.00000  112.17500
   58    64    79    58.35000  112.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    69    37.50000  110.70000
   64    78    87    60.00000  130.00000
   64    78   107    60.00000  130.00000
   64    79    80    37.50000  110.70000
   64    79    81    37.50000  110.70000
   64    79    38    58.35000  112.70000
   78    64    65    35.00000  109.50000
   78    87    88    35.00000  127.50000
   78    87    99    70.00000  107.30000
   78   107   104    70.00000  110.60000
   78   107   108    35.00000  132.10000
   87    99   100    35.00000  132.10000
   87    99   104    70.00000  110.60000
   99    87    88    35.00000  125.70000
   99   104   107    70.00000  106.50000
  104    99   100    35.00000  113.40000
  104   107   108    35.00000  113.40000
  107    78    87    70.00000  107.30000
   79    64    65    37.50000  110.70000
   79    64    78    70.00000  112.17500
   79    38    39    50.00000  109.50000
   79    38    40    37.50000  110.70000
   81    79    80    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    58    58.35000  112.70000
   38    79    80    37.50000  110.70000
   38    79    81    37.50000  110.70000
   40    38    39    45.00000  125.66300
   66    58    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   59    49    50    35.00000  109.50000
   59    49    58    50.00000  109.50000
   59    70    71    83.00000  123.40000
   59    70    82    81.00000  111.40000
   70    82    83    35.00000  109.50000
   70    82    84    35.00000  109.50000
   70    82    85    35.00000  109.50000
   82    70    71    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    49    50.00000  109.50000
   51    60    61    83.00000  123.40000
   51    60    72    81.00000  111.40000
   60    72    73    35.00000  109.50000
   60    72    74    35.00000  109.50000
   60    72    75    35.00000  109.50000
   72    60    61    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    46    58.35000  112.70000
   48    52    53    35.00000  117.00000
   48    52    62    70.00000  124.00000
   48    89    86    58.35000  112.70000
   48    89    90    37.50000  110.70000
   48    89   101    58.35000  112.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   52    62    63    35.00000  120.00000
   52    62    76    65.00000  118.96000
   62    52    53    35.00000  120.00000
   62    76    77    80.00000  123.72100
   62    76    86    65.00000  118.62400
   76    62    63    40.00000  117.72500
   76    86    89    63.00000  111.10000
   76    86    91    63.00000  111.10000
   76    86    95    63.00000  111.10000
   86    76    77    80.00000  120.40000
   86    89    90    37.50000  110.70000
   86    89   101    58.35000  112.70000
   86    91    92    37.50000  110.70000
   86    91    93    37.50000  110.70000
   86    91    94    37.50000  110.70000
   86    95    96    37.50000  110.70000
   86    95    97    37.50000  110.70000
   86    95    98    37.50000  110.70000
   89    48    52    70.00000  112.02700
   89   101   102    37.50000  110.70000
   89   101   103    37.50000  110.70000
   89   101   105    63.00000  111.10000
  101    89    90    37.50000  110.70000
  101   105   106    80.00000  120.40000
  101   105   109    81.00000  111.40000
  103   101   102    33.00000  107.80000
  105   101   102    35.00000  109.50000
  105   101   103    35.00000  109.50000
  105   109   110    83.00000  116.90000
  109   105   106    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
   91    86    89    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   95    86    89    58.35000  112.70000
   95    86    91    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   54    48    52    70.00000  112.02700
   54    48    89    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   43    37    41    70.00000  124.00000
   45    43    44    35.00000  117.00000
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
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   52    48    89    86   0.09450 -1.0 2.0
   52    48    89    86   0.11100  1.0 3.0
   52    48    89    90   0.15000  1.0 3.0
   52    48    89   101   0.34400  1.0 1.0
   52    48    89   101   0.09450 -1.0 2.0
   52    48    89   101   0.11100  1.0 3.0
   52    48    54    55   0.15000  1.0 3.0
   52    48    54    56   0.15000  1.0 3.0
   52    48    54    57   0.15000  1.0 3.0
   52    62    76    77   1.00000 -1.0 2.0
   52    62   -76    86  -0.33500  1.0 1.0
   52    62   -76    86   1.06600 -1.0 2.0
   52    62   -76    86  -0.14000  1.0 3.0
   53    52    62    63   7.00000 -1.0 2.0
   53    52    62    76   7.00000 -1.0 2.0
   62    76    86    89   0.65300  1.0 1.0
   62    76    86    89  -0.03850 -1.0 2.0
   62    76    86    89   0.33900  1.0 3.0
   62    76    86    91   0.65300  1.0 1.0
   62    76    86    91  -0.03850 -1.0 2.0
   62    76    86    91   0.33900  1.0 3.0
   62    76    86    95   0.65300  1.0 1.0
   62    76    86    95  -0.03850 -1.0 2.0
   62    76    86    95   0.33900  1.0 3.0
   63    62    76    77   0.00000  1.0 1.0
   63    62    76    86   0.04550  1.0 1.0
   63    62    76    86   0.83000 -1.0 2.0
   63    62    76    86  -0.04000  1.0 3.0
   76    86   -89    48  -0.95700  1.0 1.0
   76    86   -89    48  -0.18200 -1.0 2.0
   76    86   -89    48   0.29450  1.0 3.0
   76    86    89    90  -0.11250  1.0 3.0
   76    86    89   101  -0.95700  1.0 1.0
   76    86    89   101  -0.18200 -1.0 2.0
   76    86    89   101   0.29450  1.0 3.0
   76    86    91    92  -0.11250  1.0 3.0
   76    86    91    93  -0.11250  1.0 3.0
   76    86    91    94  -0.11250  1.0 3.0
   76    86    95    96  -0.11250  1.0 3.0
   76    86    95    97  -0.11250  1.0 3.0
   76    86    95    98  -0.11250  1.0 3.0
   77    76    86    89   0.30150 -1.0 2.0
   77    76    86    91   0.30150 -1.0 2.0
   77    76    86    95   0.30150 -1.0 2.0
   86    89   101   102   0.15000  1.0 3.0
   86    89   101   103   0.15000  1.0 3.0
   86    89   101   105  -0.95700  1.0 1.0
   86    89   101   105  -0.18200 -1.0 2.0
   86    89   101   105   0.29450  1.0 3.0
   89    48    52    53   0.00000  1.0 1.0
   89    48   -52    62   0.09850  1.0 1.0
   89    48   -52    62   0.15250 -1.0 2.0
   89    48   -52    62  -0.50650  1.0 3.0
   89    48    54    55   0.15000  1.0 3.0
   89    48    54    56   0.15000  1.0 3.0
   89    48    54    57   0.15000  1.0 3.0
   89    86    91    92   0.15000  1.0 3.0
   89    86    91    93   0.15000  1.0 3.0
   89    86    91    94   0.15000  1.0 3.0
   89    86    95    96   0.15000  1.0 3.0
   89    86    95    97   0.15000  1.0 3.0
   89    86    95    98   0.15000  1.0 3.0
   89   101   105   106   0.30150 -1.0 2.0
   89   101   105   109   0.36750  1.0 3.0
   90    89   101   102   0.15000  1.0 3.0
   90    89   101   103   0.15000  1.0 3.0
   90    89   101   105  -0.11250  1.0 3.0
  101   105   109   110   1.63150  1.0 1.0
  101   105   109   110   2.92000 -1.0 2.0
  102   101   105   106   0.00000  1.0 1.0
  102   101   105   109   0.00000  1.0 1.0
  103   101   105   106   0.00000  1.0 1.0
  103   101   105   109   0.00000  1.0 1.0
  105   109   110   111   0.08050  1.0 3.0
  105   109   110   112   0.08050  1.0 3.0
  105   109   110   113   0.08050  1.0 3.0
  106   105   109   110   3.00000 -1.0 2.0
   91    86    89    48   0.56750  1.0 1.0
   91    86    89    48  -0.07550 -1.0 2.0
   91    86    89    48   0.20000  1.0 3.0
   91    86    89    90   0.15000  1.0 3.0
   91    86    89   101   0.56750  1.0 1.0
   91    86    89   101  -0.07550 -1.0 2.0
   91    86    89   101   0.20000  1.0 3.0
   91    86    95    96   0.15000  1.0 3.0
   91    86    95    97   0.15000  1.0 3.0
   91    86    95    98   0.15000  1.0 3.0
   95    86    89    48   0.56750  1.0 1.0
   95    86    89    48  -0.07550 -1.0 2.0
   95    86    89    48   0.20000  1.0 3.0
   95    86    89    90   0.15000  1.0 3.0
   95    86    89   101   0.56750  1.0 1.0
   95    86    89   101  -0.07550 -1.0 2.0
   95    86    89   101   0.20000  1.0 3.0
   95    86    91    92   0.15000  1.0 3.0
   95    86    91    93   0.15000  1.0 3.0
   95    86    91    94   0.15000  1.0 3.0
   54    48    52    53   0.00000  1.0 1.0
   54    48    52    62   0.09850  1.0 1.0
   54    48    52    62   0.15250 -1.0 2.0
   54    48    52    62  -0.50650  1.0 3.0
   54    48    89    86   0.56750  1.0 1.0
   54    48    89    86  -0.07550 -1.0 2.0
   54    48    89    86   0.20000  1.0 3.0
   54    48    89    90   0.15000  1.0 3.0
   54    48    89   101   0.56750  1.0 1.0
   54    48    89   101  -0.07550 -1.0 2.0
   54    48    89   101   0.20000  1.0 3.0
   43    37    41    42   0.00000  1.0 1.0
   43    37    41    46   0.09850  1.0 1.0
   43    37    41    46   0.15250 -1.0 2.0
   43    37    41    46  -0.50650  1.0 3.0
   43    37    41    48   0.09850  1.0 1.0
   43    37    41    48   0.15250 -1.0 2.0
   43    37    41    48  -0.50650  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    41    37    43   1.10000 -1.0 2.0
   87   107    78    64   4.00000 -1.0 2.0
   99    88    87    78   1.10000 -1.0 2.0
  104   100    99    87   1.10000 -1.0 2.0
  104   108   107    78   1.10000 -1.0 2.0
   59    82    70    71  10.50000 -1.0 2.0
   51    72    60    61  10.50000 -1.0 2.0
   48    53    52    62   1.10000 -1.0 2.0
   76    63    62    52   1.10000 -1.0 2.0
   62    86    76    77  10.50000 -1.0 2.0
  101   109   105   106  10.50000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
END
