* LIGAND DATABASE FILE (OPLS2005)
*
001     110   115    226    365     675
    1     0 S   NP   _N1_     1    29.27534    99.92130   -19.85448
    2     1 S   H    _HN1     2     1.02781    79.38328   -88.22401
    3     1 S   H    _H1_     3     1.02951    62.49908    29.07743
    4     1 S   H    _H2_     4     1.02827    65.24771   156.25702
    5     1 S   CT   _CA1     5     1.50096   168.29890    83.91726
    6     5 S   HC   _HA1     6     1.09575   105.21540   126.81710
    7     5 S   CO3  _C1_     7     1.53839   112.50141     6.61945
    8     7 S   O2Z  _O11     8     1.26371   114.99799   -42.16518
    9     7 S   O2Z  _O12     9     1.26259   114.96340   137.02177
   10     5 S   CT   _CB1    10     1.53102   107.42354  -115.23859
   11    10 S   HC   HB11    11     1.09821   109.46365   -50.54042
   12    10 S   HC   HB12    12     1.09815   110.40085    66.12872
   13    10 S   CT   _CG1    13     1.52908   112.47382  -171.58023
   14    13 S   HC   HG11    14     1.09518   110.26689   -64.47461
   15    13 S   HC   HG12    15     1.09656   109.94826    54.71592
   16    13 S   C    _CD1    16     1.51721   112.53545   175.52070
   17    16 S   O    _OE1    17     1.22715   123.33117     4.09031
   18    16 S   N    _N2_    18     1.38632   111.51523  -176.22431
   19    18 S   H    _HN2    19     1.01545   118.96827     2.16392
   20    18 S   CT1  _CA2    20     1.46149   123.52566  -179.65282
   21    20 S   HC   _HA2    21     1.09741   109.30434     0.82922
   22    20 S   C    _C2_    22     1.53507   108.83408  -114.79535
   23    22 S   O    _O2_    23     1.23065   122.25473  -149.56094
   24    20 S   CT   _CB2    32     1.53691   111.45816   122.69574
   25    24 S   HC   HB21    33     1.09218   109.17063    59.02812
   26    24 S   HC   HB22    34     1.09355   109.05741   177.81278
   27    22 S   N    _N3_    24     1.38328   113.74238    37.93764
   28    27 S   H    _HN3    25     1.01598   119.53442    -3.55683
   29    24 S   S    _SG2    35     1.82668   110.67439   -63.25040
   30    27 S   CT   _CA3    26     1.45284   123.16254   177.01587
   31    30 S   HC   HA31    27     1.09552   107.50868   -64.23409
   32    30 S   HC   HA32    28     1.09559   107.96771    52.17850
   33    29 S   CT   _C24    36     1.91254   104.53211   165.05160
   34    30 S   CO3  _C3_    29     1.52944   114.13794   174.16299
   35    34 S   O2Z  _O31    30     1.26370   116.08183    -1.16684
   36    34 S   O2Z  _O32    31     1.26436   114.40591   178.90300
   37    33 S   CT   _C23    37     1.55400   109.19150   -61.47639
   38    37 S   HC   _H29    38     1.09536   110.98610    59.01676
   39    37 S   HC   _H30    39     1.09814   109.00084   172.15965
   40    33 S   CT   _C25    55     1.55523   110.19828    60.58964
   41    40 S   HC   _H8_    56     1.09544   108.94741   179.09475
   42    37 S   CO   _C22    40     1.53871   115.50333   -65.63839
   43    40 S   OH   _O37    57     1.42439   112.07079   -65.96670
   44    43 S   HO   _H33    58     0.97245   107.81839  -179.32769
   45    42 S   CT   _C21    41     1.52922   113.00093   -46.81014
   46    45 S   HC   _H27    42     1.09712   109.55082   -79.27607
   47    45 S   HC   _H28    43     1.09816   109.60675   166.05795
   48    42 S   OS   _O38   103     1.44495   107.45745  -166.11685
   49    45 S   CT   _C20    44     1.53463   114.68803    44.20403
   50    49 S   HC   _H25    45     1.09535   109.53126    74.07841
   51    49 S   HC   _H26    46     1.09433   105.75416  -172.07935
   52    48 S   CT   _C27   104     1.42554   105.08753  -133.30265
   53    52 S   HC   _H34   105     1.09531   108.24130   -86.77495
   54    52 S   HC   _H35   106     1.09260   110.79065   153.28563
   55    33 S   CT   _C19    47     1.60717   108.43219   178.78743
   56    52 S   CT   _C28   107     1.50056   102.96157    31.65615
   57    56 S   HC   _H36   108     1.09532   111.71734    76.71684
   58    56 S   HC   _H37   109     1.09231   113.34362  -159.23824
   59    55 S   CT   _C18    48     1.60008   109.08974   -60.36333
   60    59 S   HC   _H7_    49     1.09735   106.77531    60.40493
   61    55 S   CT   _C29    99     1.56457   112.10612   179.88986
   62    61 S   HC   _H38   100     1.09122   113.56809    67.48073
   63    61 S   HC   _H39   101     1.09273   112.84147   -53.29394
   64    61 S   HC   _H40   102     1.09565   110.92169  -172.30882
   65    42 S   OS   _O39   110     1.43827   110.93348    75.44770
   66    59 S   CT   _C17    50     1.57040   110.91265   -56.13046
   67    66 S   HC   _H6_    51     1.09395   109.15639   -65.85214
   68    59 S   CT   _C6_    73     1.56463   116.42698   175.71691
   69    68 S   HC   _H3_    74     1.09460   109.41871    54.81982
   70    66 S   CT   _C26    52     1.53656   113.06266    52.02539
   71    70 S   HC   _H31    53     1.09657   110.81431    73.67359
   72    70 S   HC   _H32    54     1.09797   109.61200  -171.51064
   73    66 S   CT   _C9_    59     1.53275   109.05242   176.51923
   74    73 S   HC   _H4_    60     1.10313   106.40453   -57.72668
   75    68 S   OS   _O34    75     1.44739   109.03562   -64.90353
   76    73 S   CT   _C10    61     1.52260   118.45986  -176.70877
   77    76 S   HC   _H14    62     1.09485   112.05462    78.23221
   78    76 S   HC   _H15    63     1.09582   111.53772   -42.44514
   79    75 S   CO4  _C5_    76     1.36357   117.60486   154.40488
   80    79 S   O    _O33    77     1.22313   126.46856    -0.58950
   81    76 S   CT   _C11    64     1.53460   104.11470  -161.47774
   82    81 S   HC   _H16    65     1.09491   109.02963   129.82188
   83    81 S   HC   _H17    66     1.09586   110.88022  -112.27242
   84    79 S   CT   _C4_    78     1.49846   109.43363   179.50862
   85    84 S   HC   _H9_    79     1.09290   109.82037   -60.58254
   86    84 S   HC   _H10    80     1.09376   109.35712  -179.59749
   87    84 S   HC   _H11    81     1.09288   109.85501    61.32498
   88    81 S   CT   _C12    67     1.55718   106.89563     7.86459
   89    88 S   HC   _H5_    68     1.10189   105.83419   -91.08625
   90    73 S   CT   _C8_    69     1.54869   113.28126    61.33222
   91    88 S   CO   _C13    86     1.54826   112.44232   153.43807
   92    90 S   CT   _C7_    70     1.53424   106.38131   -62.28367
   93    92 S   HC   _H12    71     1.09899   110.15106   -65.40621
   94    92 S   HC   _H13    72     1.09417   110.87724   178.96259
   95    90 S   CT   _C30    82     1.54591   114.03008    58.71783
   96    95 S   HC   _H41    83     1.09428   112.47272    61.78141
   97    95 S   HC   _H42    84     1.09308   112.85068   -58.99496
   98    95 S   HC   _H43    85     1.09506   110.80582  -177.82994
   99    91 S   OS   _O35    87     1.44645   108.18597    63.09413
  100    91 S   CT   _C16    95     1.52819   113.14923  -179.41116
  101   100 S   HC   _H22    96     1.09662   110.64973  -167.46321
  102   100 S   HC   _H23    97     1.09290   111.88362    74.17496
  103   100 S   HC   _H24    98     1.09488   111.34976   -49.13547
  104    99 S   CT   _C14    88     1.42738   105.68651  -117.00284
  105   104 S   HC   _H18    89     1.09289   110.66569  -146.51439
  106   104 S   HC   _H19    90     1.09469   108.07270    94.31355
  107   104 S   CT   _C15    91     1.50283   104.20898   -24.42480
  108   107 S   HC   _H20    92     1.09279   113.29992   155.93213
  109   107 S   HC   _H21    93     1.09524   111.73673   -80.33270
  110    91 S   OS   _O36    94     1.43584   111.59870   -56.51687
  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  13   5   4   3
  26   2   1   1  18   7   6  14   7  15   6   1  12   7   6   8
  12   4   3   6   5   4  14   3   2   1  21   9   5   2   1   1
   1  17   8  13   6   6   2   1  18   8  10  11   6   5   6   4
  11   5   4   3   2   1   1  18   7  11  14   6   2   1   3   2
   1   1  11   6   3   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    49    55    59    70    40    41    43    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    49    50    51    55    59    60    66    70    71    72    40    41    43    44    68    61    62    63    64    48    65  
   35    36  
   36  
    0  
   38    39    42    45    46    47    49    55    59    70    40    41    43    61    48    52    56    65  
   39    42    45    55    40    48    65  
   42    45    55    40    48    65  
   41    43    44    73    61    42    49    55    59    66    67    70    71    72  
   43    44    55    66    70    71    72  
   45    46    47    49    50    51    55    48    52    53    54    56    57    58    65  
   44    55    66    70    71    72  
   70  
   46    47    49    50    51    55    59    61    48    52    56    65  
   47    49    50    51    55    48    65  
   49    50    51    55    48    65  
   52    53    54    56    57    58    65    49  
   50    51    55    59    60    66    68    61    62    63    64    65  
   51    55    59    61  
   55    59    61  
   53    54    56    57    58    65  
   54    56    57    58    65  
   56    57    58    65  
   59    60    66    67    70    73    92    68    69    75    61    62    63    64  
   57    58    65  
   58    65  
   65  
   60    66    67    70    71    72    73    74    76    90    92    93    94    68    69    75    79    61    62    63    64  
   66    67    70    73    92    68    69    75    61  
   62    63    64    66    68  
   63    64  
   64  
    0  
    0  
   67    70    71    72    73    74    76    77    78    81    88    90    92    68    69    75    95  
   70    71    72    73    74    76    90    68  
   69    75    79    80    84    95    70    73    88    90    92    93    94  
   75    79    90    92    93    94  
   71    72    73    74    76    90  
   72    73  
   73  
   74    76    77    78    81    82    83    88    89    90    92    93    94    95    96    97    98    91  
   76    77    78    81    88    90    92    95  
   79    80    84    85    86    87    90    92    93    94  
   77    78    81    82    83    88    89    90    92    95    91  
   78    81    82    83    88    90  
   81    82    83    88    90  
   80    84    85    86    87    92  
   84    85    86    87  
   82    83    88    89    90    92    95    91    99   110   100  
   83    88    89    90    91  
   88    89    90    91  
   85    86    87  
   86    87  
   87  
    0  
   89    90    92    93    94    95    96    97    98    91    99   104   107   110   100   101   102   103  
   90    92    95    91    99   110   100  
   92    93    94    95    96    97    98    91    99   110   100  
   99   104   105   106   107   108   109   110   100   101   102   103    92    95  
   93    94    95    96    97    98  
   94    95  
   95  
   96    97    98  
   97    98  
   98  
    0  
  104   105   106   107   108   109   110   100   101   102   103  
  101   102   103   104   107   110  
  102   103   110  
  103   110  
  110  
  105   106   107   108   109   110  
  106   107   108   109   110  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.140000   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  110   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    55   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   250.000  1.527
   42    45   250.000  1.527
   42    48   320.000  1.380
   42    65   320.000  1.380
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    59   268.000  1.529
   55    61   268.000  1.529
   59    60   340.000  1.090
   59    66   268.000  1.529
   59    68   268.000  1.529
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    40   268.000  1.529
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   73    74   340.000  1.090
   73    76   268.000  1.529
   73    90   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   268.000  1.529
   88    89   340.000  1.090
   88    90   268.000  1.529
   88    91   250.000  1.527
   90    92   268.000  1.529
   90    95   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    68   268.000  1.529
   68    69   340.000  1.090
   68    75   320.000  1.410
   75    79   214.000  1.327
   79    80   570.000  1.229
   79    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   91    99   320.000  1.380
   91   110   320.000  1.380
   91   100   250.000  1.527
   99   104   320.000  1.410
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    65   320.000  1.410
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  111.63000
   29    33    55    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    75.00000  109.43000
   33    55    49    58.35000  112.70000
   33    55    59    58.35000  112.70000
   33    55    61    58.35000  112.70000
   33    40    70    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   37    42    45    65.00000  112.71400
   37    42    48    90.00000  108.56700
   37    42    65    90.00000  108.56700
   39    37    38    33.00000  107.80000
   42    37    38    45.00000  108.72000
   42    37    39    45.00000  108.72000
   42    45    46    45.00000  108.72000
   42    45    47    45.00000  108.72000
   42    45    49    75.00000  109.43000
   42    48    52    60.00000  109.50000
   42    65    56    60.00000  109.50000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    55    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    61    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    33    37    58.35000  112.70000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    66    58.35000  112.70000
   55    59    68    58.35000  112.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    70    58.35000  112.70000
   59    66    73    58.35000  112.70000
   59    68    92    58.35000  112.70000
   59    68    69    37.50000  110.70000
   59    68    75    50.00000  109.50000
   66    59    60    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    40    58.35000  112.70000
   66    73    74    37.50000  110.70000
   66    73    76    58.35000  112.70000
   66    73    90    58.35000  112.70000
   70    66    67    37.50000  110.70000
   70    40    41    37.50000  110.70000
   70    40    43    50.00000  109.50000
   72    70    71    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    55    58.35000  112.70000
   40    70    71    37.50000  110.70000
   40    70    72    37.50000  110.70000
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   73    66    67    37.50000  110.70000
   73    66    70    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    81    58.35000  112.70000
   73    90    88    58.35000  112.70000
   73    90    92    58.35000  112.70000
   73    90    95    58.35000  112.70000
   76    73    74    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    88    58.35000  112.70000
   78    76    77    33.00000  107.80000
   81    76    77    37.50000  110.70000
   81    76    78    37.50000  110.70000
   81    88    89    37.50000  110.70000
   81    88    90    58.35000  112.70000
   81    88    91    75.00000  109.43000
   83    81    82    33.00000  107.80000
   88    81    82    37.50000  110.70000
   88    81    83    37.50000  110.70000
   88    90    92    58.35000  112.70000
   88    90    95    58.35000  112.70000
   88    91    99    90.00000  108.56700
   88    91   110    90.00000  108.56700
   88    91   100    65.00000  112.71400
   90    73    74    37.50000  110.70000
   90    73    76    58.35000  112.70000
   90    88    89    37.50000  110.70000
   90    92    93    37.50000  110.70000
   90    92    94    37.50000  110.70000
   90    92    68    58.35000  112.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    37.50000  110.70000
   92    68    69    37.50000  110.70000
   92    68    75    50.00000  109.50000
   94    92    93    33.00000  107.80000
   68    59    60    37.50000  110.70000
   68    59    66    58.35000  112.70000
   68    92    93    37.50000  110.70000
   68    92    94    37.50000  110.70000
   68    75    79    83.00000  116.90000
   75    68    69    35.00000  109.50000
   75    79    80    83.00000  123.40000
   75    79    84    81.00000  111.40000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   84    79    80    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   95    90    92    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
   91    88    89    45.00000  108.72000
   91    88    90    75.00000  109.43000
   91    99   104    60.00000  109.50000
   91   110   107    60.00000  109.50000
   91   100   101    45.00000  108.72000
   91   100   102    45.00000  108.72000
   91   100   103    45.00000  108.72000
   99   104   105    35.00000  109.50000
   99   104   106    35.00000  109.50000
   99   104   107    50.00000  109.50000
  104   107   108    37.50000  110.70000
  104   107   109    37.50000  110.70000
  104   107   110    50.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110    91    99    92.60000  111.55000
  110   107   108    35.00000  109.50000
  110   107   109    35.00000  109.50000
  100    91    99    90.00000  108.56700
  100    91   110    90.00000  108.56700
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   61    55    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   48    42    45    90.00000  108.56700
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    56    50.00000  109.50000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    65    50.00000  109.50000
   54    52    53    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    37.50000  110.70000
   58    56    57    33.00000  107.80000
   65    42    45    90.00000  108.56700
   65    42    48    92.60000  111.55000
   65    56    57    35.00000  109.50000
   65    56    58    35.00000  109.50000
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
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   81    88    90    95   0.56750  1.0 1.0
   81    88    90    95  -0.07550 -1.0 2.0
   81    88    90    95   0.20000  1.0 3.0
   81    88    91    99   0.62750  1.0 1.0
   81    88    91    99  -0.30950 -1.0 2.0
   81    88    91    99   0.27300  1.0 3.0
   81    88    91   110   0.62750  1.0 1.0
   81    88    91   110  -0.30950 -1.0 2.0
   81    88    91   110   0.27300  1.0 3.0
   81    88    91   100   0.56750  1.0 1.0
   81    88    91   100  -0.07550 -1.0 2.0
   81    88    91   100   0.20000  1.0 3.0
   82    81    88    89   0.15000  1.0 3.0
   82    81    88    90   0.15000  1.0 3.0
   82    81    88    91   0.15000  1.0 3.0
   83    81    88    89   0.15000  1.0 3.0
   83    81    88    90   0.15000  1.0 3.0
   83    81    88    91   0.15000  1.0 3.0
   88    90    92    93   0.15000  1.0 3.0
   88    90    92    94   0.15000  1.0 3.0
   88    90    92    68   0.56750  1.0 1.0
   88    90    92    68  -0.07550 -1.0 2.0
   88    90    92    68   0.20000  1.0 3.0
   88    90    95    96   0.15000  1.0 3.0
   88    90    95    97   0.15000  1.0 3.0
   88    90    95    98   0.15000  1.0 3.0
   88    91    99   104   0.06250  1.0 1.0
   88    91    99   104  -0.01100 -1.0 2.0
   88    91    99   104   0.28050  1.0 3.0
   88    91   110   107   0.06250  1.0 1.0
   88    91   110   107  -0.01100 -1.0 2.0
   88    91   110   107   0.28050  1.0 3.0
   88    91   100   101   0.15000  1.0 3.0
   88    91   100   102   0.15000  1.0 3.0
   88    91   100   103   0.15000  1.0 3.0
   89    88    90    73   0.15000  1.0 3.0
   89    88    90    92   0.15000  1.0 3.0
   89    88    90    95   0.15000  1.0 3.0
   89    88    91    99   0.23400  1.0 3.0
   89    88    91   110   0.23400  1.0 3.0
   89    88    91   100   0.15000  1.0 3.0
   90    73    76    77   0.15000  1.0 3.0
   90    73    76    78   0.15000  1.0 3.0
   90    73   -76    81   0.56750  1.0 1.0
   90    73   -76    81  -0.07550 -1.0 2.0
   90    73   -76    81   0.20000  1.0 3.0
   90    88    91    99   0.62750  1.0 1.0
   90    88    91    99  -0.30950 -1.0 2.0
   90    88    91    99   0.27300  1.0 3.0
   90    88    91   110   0.62750  1.0 1.0
   90    88    91   110  -0.30950 -1.0 2.0
   90    88    91   110   0.27300  1.0 3.0
   90    88    91   100   0.56750  1.0 1.0
   90    88    91   100  -0.07550 -1.0 2.0
   90    88    91   100   0.20000  1.0 3.0
   90    92   -68    59   0.56750  1.0 1.0
   90    92   -68    59  -0.07550 -1.0 2.0
   90    92   -68    59   0.20000  1.0 3.0
   90    92    68    69   0.15000  1.0 3.0
   90    92    68    75   0.62750  1.0 1.0
   90    92    68    75  -0.30950 -1.0 2.0
   90    92    68    75   0.27300  1.0 3.0
   92    90    95    96   0.15000  1.0 3.0
   92    90    95    97   0.15000  1.0 3.0
   92    90    95    98   0.15000  1.0 3.0
   92    68    75    79  -0.25900  1.0 1.0
   92    68    75    79  -0.47000 -1.0 2.0
   92    68    75    79   0.11750  1.0 3.0
   93    92    68    59   0.15000  1.0 3.0
   93    92    68    69   0.15000  1.0 3.0
   93    92    68    75   0.23400  1.0 3.0
   94    92    68    59   0.15000  1.0 3.0
   94    92    68    69   0.15000  1.0 3.0
   94    92    68    75   0.23400  1.0 3.0
   68    59    66    67   0.15000  1.0 3.0
   68    59    66    70   0.56750  1.0 1.0
   68    59    66    70  -0.07550 -1.0 2.0
   68    59    66    70   0.20000  1.0 3.0
   68    59   -66    73   0.56750  1.0 1.0
   68    59   -66    73  -0.07550 -1.0 2.0
   68    59   -66    73   0.20000  1.0 3.0
   68    75    79    80   3.00000 -1.0 2.0
   68    75    79    84   1.63150  1.0 1.0
   68    75    79    84   2.92000 -1.0 2.0
   69    68    75    79   0.08050  1.0 3.0
   75    79    84    85   0.00000  1.0 1.0
   75    79    84    86   0.00000  1.0 1.0
   75    79    84    87   0.00000  1.0 1.0
   80    79    84    85   0.00000  1.0 1.0
   80    79    84    86   0.00000  1.0 1.0
   80    79    84    87   0.00000  1.0 1.0
   95    90    92    93   0.15000  1.0 3.0
   95    90    92    94   0.15000  1.0 3.0
   95    90    92    68   0.56750  1.0 1.0
   95    90    92    68  -0.07550 -1.0 2.0
   95    90    92    68   0.20000  1.0 3.0
   91    88    90    73   3.97050  1.0 1.0
   91    88    90    92   3.97050  1.0 1.0
   91    88    90    95   3.97050  1.0 1.0
   91    99   104   105   0.37050  1.0 3.0
   91    99   104   106   0.37050  1.0 3.0
   91    99  -104   107   0.06250  1.0 1.0
   91    99  -104   107  -0.01100 -1.0 2.0
   91    99  -104   107   0.28050  1.0 3.0
   99    91  -110   107  -0.53350  1.0 1.0
   99    91  -110   107  -0.78350 -1.0 2.0
   99    91  -110   107   0.33750  1.0 3.0
   99    91   100   101   0.23400  1.0 3.0
   99    91   100   102   0.23400  1.0 3.0
   99    91   100   103   0.23400  1.0 3.0
   99   104   107   108   0.23400  1.0 3.0
   99   104   107   109   0.23400  1.0 3.0
   99   104  -107   110   1.11900  1.0 1.0
   99   104  -107   110  -1.16350 -1.0 2.0
   99   104  -107   110  -0.34150  1.0 3.0
  104   107  -110    91   0.06250  1.0 1.0
  104   107  -110    91  -0.01100 -1.0 2.0
  104   107  -110    91   0.28050  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   110   0.23400  1.0 3.0
  106   104   107   108   0.15000  1.0 3.0
  106   104   107   109   0.15000  1.0 3.0
  106   104   107   110   0.23400  1.0 3.0
  108   107   110    91   0.37050  1.0 3.0
  109   107   110    91   0.37050  1.0 3.0
  110    91   -99   104  -0.53350  1.0 1.0
  110    91   -99   104  -0.78350 -1.0 2.0
  110    91   -99   104   0.33750  1.0 3.0
  110    91   100   101   0.23400  1.0 3.0
  110    91   100   102   0.23400  1.0 3.0
  110    91   100   103   0.23400  1.0 3.0
  100    91    99   104   0.06250  1.0 1.0
  100    91    99   104  -0.01100 -1.0 2.0
  100    91    99   104   0.28050  1.0 3.0
  100    91   110   107   0.06250  1.0 1.0
  100    91   110   107  -0.01100 -1.0 2.0
  100    91   110   107   0.28050  1.0 3.0
   61    55    59    60   0.15000  1.0 3.0
   61    55    59    66   0.56750  1.0 1.0
   61    55    59    66  -0.07550 -1.0 2.0
   61    55    59    66   0.20000  1.0 3.0
   61    55    59    68   0.56750  1.0 1.0
   61    55    59    68  -0.07550 -1.0 2.0
   61    55    59    68   0.20000  1.0 3.0
   48    42    45    46   0.23400  1.0 3.0
   48    42    45    47   0.23400  1.0 3.0
   48    42    45    49   0.62750  1.0 1.0
   48    42    45    49  -0.30950 -1.0 2.0
   48    42    45    49   0.27300  1.0 3.0
   48    42   -65    56  -0.53350  1.0 1.0
   48    42   -65    56  -0.78350 -1.0 2.0
   48    42   -65    56   0.33750  1.0 3.0
   48    52    56    57   0.23400  1.0 3.0
   48    52    56    58   0.23400  1.0 3.0
   48    52   -56    65   1.11900  1.0 1.0
   48    52   -56    65  -1.16350 -1.0 2.0
   48    52   -56    65  -0.34150  1.0 3.0
   52    56   -65    42   0.06250  1.0 1.0
   52    56   -65    42  -0.01100 -1.0 2.0
   52    56   -65    42   0.28050  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    65   0.23400  1.0 3.0
   54    52    56    57   0.15000  1.0 3.0
   54    52    56    58   0.15000  1.0 3.0
   54    52    56    65   0.23400  1.0 3.0
   57    56    65    42   0.37050  1.0 3.0
   58    56    65    42   0.37050  1.0 3.0
   65    42    45    46   0.23400  1.0 3.0
   65    42    45    47   0.23400  1.0 3.0
   65    42    45    49   0.62750  1.0 1.0
   65    42    45    49  -0.30950 -1.0 2.0
   65    42    45    49   0.27300  1.0 3.0
   65    42   -48    52  -0.53350  1.0 1.0
   65    42   -48    52  -0.78350 -1.0 2.0
   65    42   -48    52   0.33750  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
   75    84    79    80  10.50000 -1.0 2.0
END
