* LIGAND DATABASE FILE (OPLS2005)
*
001     123   125    226    338     662
    1     0 S   NP   _N1_     1    28.53425    96.59287   -21.52498
    2     1 S   H    _HN1     2     1.02954    77.22714    12.28251
    3     1 S   H    _H1_     3     1.02827    41.12473   148.10602
    4     1 S   H    _H2_     4     1.02779    91.67958   -96.16640
    5     1 S   CT   _CA1     5     1.50114   149.62072   120.91250
    6     5 S   HC   _HA1     6     1.09573   105.21233    77.94397
    7     5 S   CO3  _C1_     7     1.53801   112.43936   -42.28247
    8     7 S   O2Z  _O11     8     1.26368   115.00499   -42.56727
    9     7 S   O2Z  _O12     9     1.26241   114.95077   136.59067
   10     5 S   CT   _CB1    10     1.53090   107.41703  -164.08665
   11    10 S   HC   HB11    11     1.09828   109.38250   -50.00940
   12    10 S   HC   HB12    12     1.09815   110.42727    66.59531
   13    10 S   CT   _CG1    13     1.52975   112.60737  -171.03334
   14    13 S   HC   HG11    14     1.09592   110.53474   -64.61149
   15    13 S   HC   HG12    15     1.09666   109.87749    54.60769
   16    13 S   C    _CD1    16     1.51801   112.33843   175.02831
   17    16 S   O    _OE1    17     1.22721   123.33324     2.59955
   18    16 S   N    _N2_    18     1.38637   111.57601  -177.45224
   19    18 S   H    _HN2    19     1.01587   118.94767     1.71771
   20    18 S   CT1  _CA2    20     1.46205   123.44505   178.61605
   21    20 S   HC   _HA2    21     1.09737   109.37927    -2.23940
   22    20 S   C    _C2_    22     1.53461   108.56755  -117.71054
   23    22 S   O    _O2_    23     1.23035   122.32178  -148.50562
   24    20 S   CT   _CB2    32     1.53317   111.46484   119.74414
   25    24 S   HC   HB21    33     1.09600   109.98216    55.27011
   26    24 S   HC   HB22    34     1.09387   110.32663   174.31028
   27    22 S   N    _N3_    24     1.38350   113.61426    39.02026
   28    27 S   H    _HN3    25     1.01610   119.54242    -3.54878
   29    24 S   S    _SG2    35     1.82855   111.35941   -65.28637
   30    27 S   CT   _CA3    26     1.45284   123.14792   176.99424
   31    30 S   HC   HA31    27     1.09551   107.52916   -63.88593
   32    30 S   HC   HA32    28     1.09558   107.95094    52.53012
   33    29 S   CT   _C24    36     1.84894    99.72599   178.85910
   34    33 S   HC   _H3_    37     1.09725   103.93953   -24.73207
   35    30 S   CO3  _C3_    29     1.52940   114.12071   174.51473
   36    35 S   O2Z  _O31    30     1.26371   116.07246    -0.63827
   37    35 S   O2Z  _O32    31     1.26432   114.41291   179.41550
   38    33 S   CT   _C21    38     1.57909   116.17295    90.63953
   39    38 S   HC   _H58    39     1.09451   107.81664   114.29652
   40    33 S   CT   _C25    80     1.58300   111.25709  -136.87389
   41    38 S   CT   _C22    40     1.56046   109.89753  -130.84916
   42    41 S   HC   _H59    41     1.09577   108.34975   -43.56508
   43    40 S   CT   _C29    81     1.55134   109.32462    71.15887
   44    43 S   HC   _H68    82     1.09639   110.98608    51.04198
   45    43 S   HC   _H69    83     1.09422   112.18470   -70.23377
   46    43 S   HC   _H70    84     1.09607   111.27946   168.21180
   47    40 S   OH   _O39    85     1.43419   108.31208  -174.37130
   48    47 S   HO   _H88    86     0.97201   108.50268   -69.19973
   49    38 S   CT   _C28   120     1.53749   115.79517    -3.82848
   50    49 S   HC   _H65   121     1.09354   112.33010   -65.77558
   51    49 S   HC   _H66   122     1.09434   111.04333   173.99051
   52    49 S   HC   _H67   123     1.09442   111.44285    56.51061
   53    41 S   CT   _C19    42     1.52487   112.84818  -164.47739
   54    53 S   HC   _H55    43     1.09586   110.45941   -62.49727
   55    53 S   HC   _H56    44     1.09570   108.72869    56.84155
   56    53 S   CT   _C26    45     1.53301   108.70386   178.34153
   57    56 S   CT   _C20    46     1.56266   112.01508   172.40901
   58    57 S   HC   _H57    47     1.09932   107.97782   -68.25522
   59    56 S   N    _N33   113     1.45656   108.57380    50.83157
   60    59 S   H    _H87   114     1.01461   117.15398   162.39712
   61    56 S   OH   _O40   118     1.42857   109.49498   -65.09980
   62    61 S   HO   _H89   119     0.97153   108.24968   -58.13211
   63    57 S   CM   _C12    48     1.51118   111.29832    53.24923
   64    63 S   HC   _H50    49     1.08766   116.84248    67.87790
   65    57 S   OS   _O43   108     1.43514   108.58464   173.65863
   66    59 S   CO4  _C15   115     1.37988   125.81606   -25.55099
   67    66 S   O    _O36   116     1.22950   121.89587  -177.29875
   68    63 S   CM   _C10    50     1.34250   122.75544  -106.01551
   69    68 S   HC   _H48    51     1.08480   118.75888    -4.39454
   70    65 S   CT   _C34   109     1.42239   113.12249   156.20738
   71    70 S   HC   _H83   110     1.09335   108.19499   179.94065
   72    70 S   HC   _H84   111     1.09379   111.02214    61.03221
   73    70 S   HC   _H85   112     1.09421   110.42232   -61.51133
   74    41 S   OS   _O38   117     1.44451   109.76495    72.39381
   75    68 S   CM   _C11    52     1.44482   122.29729   167.70751
   76    75 S   HC   _H49    53     1.09010   115.14581     2.28139
   77    75 S   CM   _C13    54     1.34849   126.70225  -170.82716
   78    77 S   CT   _C17    55     1.51964   119.42927   169.36847
   79    78 S   HC   _H51    56     1.09745   110.41458   172.75820
   80    78 S   HC   _H52    57     1.09839   108.01267    57.26353
   81    77 S   CT   _C27   104     1.50548   125.82523    -7.68802
   82    81 S   HC   _H62   105     1.09470   110.33523   114.62290
   83    81 S   HC   _H63   106     1.09194   113.72391    -6.62679
   84    81 S   HC   _H64   107     1.09551   109.81876  -126.10701
   85    78 S   CA   _C6_    58     1.52013   114.55833   -65.50543
   86    85 S   CA   _C4_    59     1.40387   121.97072   -36.46749
   87    86 S   HA   _H46    60     1.08766   119.05403     1.78553
   88    86 S   CA   _C7_    61     1.40561   121.68282   178.59528
   89    88 S   CA   _C9_    62     1.40918   118.46544     4.38767
   90    89 S   Cl   CL45    63     1.74185   120.81046   170.30762
   91    88 S   N    _N34    72     1.43831   118.43088  -175.60787
   92    89 S   CA   _C8_    64     1.41024   120.57145    -3.16953
   93    91 S   C    _C14    73     1.41142   119.83335   125.34660
   94    93 S   O    _O35    74     1.23172   123.55521    -1.73607
   95    91 S   CT   _C32   100     1.46568   116.66978   -45.30163
   96    95 S   HC   _H77   101     1.09424   108.85947    97.64694
   97    95 S   HC   _H78   102     1.09464   111.09850   -24.00428
   98    95 S   HC   _H79   103     1.09309   110.18044  -142.96405
   99    85 S   CA   _C5_    65     1.40145   119.33336   145.16481
  100    99 S   HA   _H47    66     1.08648   117.98900    -0.44367
  101    92 S   OS   _O41    67     1.37375   116.50839  -179.97202
  102    93 S   CT   _C18    75     1.53123   115.22369   178.18124
  103   102 S   HC   _H53    76     1.09812   104.89402   -66.13201
  104   102 S   HC   _H54    77     1.09110   110.10999    48.40823
  105   101 S   CT   _C33    68     1.42208   117.70537   179.06644
  106   105 S   HC   _H80    69     1.09429   107.72249  -179.17338
  107   105 S   HC   _H81    70     1.09488   111.11829    63.16626
  108   105 S   HC   _H82    71     1.09494   111.17315   -61.47465
  109   102 S   CT   _C23    78     1.53920   117.75402   174.24221
  110   109 S   HC   _H60    79     1.09749   106.55038   168.43747
  111   109 S   OS   _O42    87     1.45445   109.12830    53.32639
  112   111 S   CO4  _C16    88     1.36472   118.31525    81.65062
  113   112 S   O    _O37    89     1.22352   125.74649    -2.14439
  114   112 S   CT   _C35    90     1.51881   109.38583   177.41851
  115   114 S   HC   _H86    91     1.09718   107.68484   -45.90632
  116   114 S   CT   _C30    92     1.52355   110.05163    73.72320
  117   116 S   HC   _H71    93     1.09551   111.17090    59.31339
  118   116 S   HC   _H72    94     1.09501   111.00224   -60.36195
  119   116 S   HC   _H73    95     1.09488   110.96244   179.80719
  120   114 S   CT   _C31    96     1.52670   110.79532  -163.35336
  121   120 S   HC   _H74    97     1.09573   111.45252   -63.01637
  122   120 S   HC   _H75    98     1.09500   110.81636   176.60540
  123   120 S   HC   _H76    99     1.09552   110.81746    56.75657
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  22   8   2   1   1  17   9  16  15   7   9   4   3   2   5   1
   5   2   1   1  13   6   5  14  16   7   8   4   4   1   8   4
   5   2   1   6   3   3   2   1   1   1  10   3  10  13   5   4
   4   2   1   1   9  10   4  13   9   4  11   7  11   5   4   2
   1   1   3   1   4   6   4   3   3   2   1   1   5   2   6  11
   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41   109    40    43    47    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    53   102   109   110    40    43    44    45    46    47    48   111    74    49    50    51    52  
   38    39    41   109    40    43    47    49  
   36    37  
   37  
    0  
   39    41    42    53    54    55    56   109    40    43    47    66    74    49    50    51    52  
   41    42    53    40    74    49    50    51    52  
   43    44    45    46    47    48   111   112    49    41    93   102   103   104   109   110  
   42    53    54    55    56    57    59    66    67    74    61    49    50    51    52  
   53    54    55    56    66    74    49  
   44    45    46    47    48   111   102   109   110  
   45    46    47   109  
   46    47   109  
   47   109  
   48   111   102   109   110  
  109  
   50    51    52    53    74  
   51    52  
   52  
    0  
   54    55    56    57    58    63    65    59    60    66    74    61    62  
   55    56    57    59    74    61  
   56    57    59    74    61  
   57    58    63    64    68    65    70    59    60    66    67    74    61    62  
   58    63    64    68    69    75    65    70    71    72    73    59    60    66    61    62  
   63    64    68    65    70    59    61  
   60    66    67    74    61    62    63    65  
   66    67    74    61  
   62    63    65    66  
    0  
   64    68    69    75    76    77    65    70  
   68    69    75    65  
   70    71    72    73    68  
   67    74  
   74  
   69    75    76    77    78    81  
   75    76    77  
   71    72    73  
   72    73  
   73  
    0  
    0  
   76    77    78    79    80    85    81    82    83    84  
   77    78    81  
   78    79    80    85    86    99    81    82    83    84  
   79    80    85    86    87    88    92    99   100    81    82    83    84  
   80    85    86    99    81  
   85    86    99    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89    92    99   100   101    91  
   87    88    89    90    92    99   100    91    93    95  
   88    89    99    91  
   89    90    92    99   101    91    93    94   102    95    96    97    98  
   90    92    99   100   101   105    91    93    95  
   92    99   101    91  
   93    94   102   103   104   109    95    96    97    98    92  
   99   100   101   105   106   107   108  
   94   102   103   104   109   110   111    95    96    97    98  
  102   103   104   109    95  
   96    97    98   102  
   97    98  
   98  
    0  
  100   101   105  
  101  
  105   106   107   108  
  103   104   109   110   111   112  
  104   109   110   111  
  109   110   111  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112   113   114  
  111   112  
  112   113   114   115   116   120  
  113   114   115   116   117   118   119   120   121   122   123  
  114   115   116   120  
  115   116   117   118   119   120   121   122   123  
  116   117   118   119   120   121   122   123  
  117   118   119   120   121   122   123  
  118   119   120  
  119   120  
  120  
  121   122   123  
  122   123  
  123  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.465000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.438900   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7500   0.1050   0.515900   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.497000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   89   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   90   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   91   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   92   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   93   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   95   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  101   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  111   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  112   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  114   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  116   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  120   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  121   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  122   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  123   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    49   268.000  1.529
   41    42   340.000  1.090
   41    53   268.000  1.529
   41    74   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   268.000  1.529
   56    59   337.000  1.449
   56    61   320.000  1.410
   57    58   340.000  1.090
   57    63   317.000  1.510
   57    65   320.000  1.410
   63    64   340.000  1.080
   63    68   549.000  1.340
   68    69   340.000  1.080
   68    75   380.000  1.444
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   317.000  1.510
   77    81   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   317.000  1.510
   85    86   469.000  1.400
   85    99   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   469.000  1.400
   88    91   360.000  1.404
   89    90   300.000  1.725
   89    92   469.000  1.400
   92    99   469.000  1.400
   92   101   450.000  1.364
   99   100   367.000  1.080
  101   105   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   91    93   490.000  1.335
   91    95   337.000  1.449
   93    94   570.000  1.229
   93   102   317.000  1.522
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   109   268.000  1.529
  109   110   340.000  1.090
  109    40   268.000  1.529
  109   111   320.000  1.410
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
  111   112   214.000  1.327
  112   113   570.000  1.229
  112   114   317.000  1.522
  114   115   340.000  1.090
  114   116   268.000  1.529
  114   120   268.000  1.529
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
  120   121   340.000  1.090
  120   122   340.000  1.090
  120   123   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   65    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    60   434.000  1.010
   59    66   435.000  1.380
   66    67   570.000  1.229
   66    74   214.000  1.327
   61    62   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    49    58.35000  112.70000
   33    40   109    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    53    58.35000  112.70000
   38    41    74    50.00000  109.50000
   38    49    50    37.50000  110.70000
   38    49    51    37.50000  110.70000
   38    49    52    37.50000  110.70000
   41    38    39    37.50000  110.70000
   41    53    54    37.50000  110.70000
   41    53    55    37.50000  110.70000
   41    53    56    58.35000  112.70000
   41    74    66    83.00000  116.90000
   53    41    42    37.50000  110.70000
   53    56    57    58.35000  112.70000
   53    56    59    70.00000  110.72300
   53    56    61    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    57    58    37.50000  110.70000
   56    57    63    70.00000  112.02700
   56    57    65    50.00000  109.50000
   56    59    60    38.00000  118.40000
   56    59    66    70.00000  120.44000
   56    61    62    55.00000  108.50000
   57    63    64    35.00000  117.00000
   57    63    68    70.00000  124.00000
   57    65    70    60.00000  109.50000
   63    57    58    35.00000  109.50000
   63    68    69    35.00000  120.00000
   63    68    75    70.00000  123.01800
   68    63    64    35.00000  120.00000
   68    75    76    35.00000  120.00000
   68    75    77    70.00000  123.01800
   75    68    69    35.00000  120.00000
   75    77    78    70.00000  124.00000
   75    77    81    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    85    70.00000  112.99600
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   78    85    86    70.00000  120.00000
   78    85    99    70.00000  120.00000
   80    78    79    33.00000  107.80000
   85    78    79    35.00000  109.50000
   85    78    80    35.00000  109.50000
   85    86    87    35.00000  120.00000
   85    86    88    63.00000  120.00000
   85    99    92    63.00000  120.00000
   85    99   100    35.00000  120.00000
   86    88    89    63.00000  120.00000
   86    88    91    70.00000  119.01900
   88    86    87    35.00000  120.00000
   88    89    90    75.00000  120.00000
   88    89    92    63.00000  120.00000
   88    91    93    65.00000  121.96500
   88    91    95    70.00000  121.06000
   89    92    99    63.00000  120.00000
   89    92   101    70.00000  120.00000
   92    89    90    75.00000  120.00000
   92    99   100    35.00000  120.00000
   92   101   105    75.00000  111.00000
   99    85    86    63.00000  120.00000
  101    92    99    70.00000  120.00000
  101   105   106    35.00000  109.50000
  101   105   107    35.00000  109.50000
  101   105   108    35.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   91    88    89    70.00000  119.01900
   91    93    94    80.00000  122.90000
   91    93   102    70.00000  116.60000
   91    95    96    35.00000  109.50000
   91    95    97    35.00000  109.50000
   91    95    98    35.00000  109.50000
   93   102   103    35.00000  109.50000
   93   102   104    35.00000  109.50000
   93   102   109    63.00000  111.10000
  102    93    94    80.00000  120.40000
  102   109   110    37.50000  110.70000
  102   109    40    58.35000  112.70000
  102   109   111    50.00000  109.50000
  104   102   103    33.00000  107.80000
  109   102   103    37.50000  110.70000
  109   102   104    37.50000  110.70000
  109    40    43    58.35000  112.70000
  109    40    47    50.00000  109.50000
  109   111   112    83.00000  116.90000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40   109   110    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
  111   109   110    35.00000  109.50000
  111   109    40    50.00000  109.50000
  111   112   113    83.00000  123.40000
  111   112   114    81.00000  111.40000
  112   114   115    35.00000  109.50000
  112   114   116    63.00000  111.10000
  112   114   120    63.00000  111.10000
  114   112   113    80.00000  120.40000
  114   116   117    37.50000  110.70000
  114   116   118    37.50000  110.70000
  114   116   119    37.50000  110.70000
  114   120   121    37.50000  110.70000
  114   120   122    37.50000  110.70000
  114   120   123    37.50000  110.70000
  116   114   115    37.50000  110.70000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
  120   114   115    37.50000  110.70000
  120   114   116    58.35000  112.70000
  122   120   121    33.00000  107.80000
  123   120   121    33.00000  107.80000
  123   120   122    33.00000  107.80000
   95    91    93    50.00000  121.90000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   81    77    78    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    63    85.00000  110.90400
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    56    57    70.00000  110.72300
   59    66    67    85.00000  125.96000
   59    66    74   110.00000  108.75700
   66    59    60    50.00000  116.34900
   74    41    42    35.00000  109.50000
   74    41    53    50.00000  109.50000
   74    66    67    83.00000  123.40000
   61    56    57    50.00000  109.50000
   61    56    59    95.00000  111.01700
   49    38    39    37.50000  110.70000
   49    38    41    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    49   0.44750  1.0 1.0
   29    33    38    49  -0.17800 -1.0 2.0
   29    33    38    49   0.20200  1.0 3.0
   29    33    40   109   0.44750  1.0 1.0
   29    33    40   109  -0.17800 -1.0 2.0
   29    33    40   109   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    53   0.56750  1.0 1.0
   33    38    41    53  -0.07550 -1.0 2.0
   33    38    41    53   0.20000  1.0 3.0
   33    38    41    74   0.62750  1.0 1.0
   33    38    41    74  -0.30950 -1.0 2.0
   33    38    41    74   0.27300  1.0 3.0
   33    38    49    50   0.15000  1.0 3.0
   33    38    49    51   0.15000  1.0 3.0
   33    38    49    52   0.15000  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    49   0.15000  1.0 3.0
   34    33    40   109   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40   109   0.56750  1.0 1.0
   38    33    40   109  -0.07550 -1.0 2.0
   38    33    40   109   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41    53    54   0.15000  1.0 3.0
   38    41    53    55   0.15000  1.0 3.0
   38    41    53    56   0.56750  1.0 1.0
   38    41    53    56  -0.07550 -1.0 2.0
   38    41    53    56   0.20000  1.0 3.0
   38    41    74    66  -0.25900  1.0 1.0
   38    41    74    66  -0.47000 -1.0 2.0
   38    41    74    66   0.11750  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    53   0.15000  1.0 3.0
   39    38    41    74   0.23400  1.0 3.0
   39    38    49    50   0.15000  1.0 3.0
   39    38    49    51   0.15000  1.0 3.0
   39    38    49    52   0.15000  1.0 3.0
   41    38    49    50   0.15000  1.0 3.0
   41    38    49    51   0.15000  1.0 3.0
   41    38    49    52   0.15000  1.0 3.0
   41    53    56    57   0.56750  1.0 1.0
   41    53    56    57  -0.07550 -1.0 2.0
   41    53    56    57   0.20000  1.0 3.0
   41    53    56    59   0.43900  1.0 1.0
   41    53    56    59   0.49100 -1.0 2.0
   41    53    56    59   0.28400  1.0 3.0
   41    53    56    61   0.86500  1.0 1.0
   41    53    56    61  -0.17500 -1.0 2.0
   41    53    56    61   0.20800  1.0 3.0
   42    41    53    54   0.15000  1.0 3.0
   42    41    53    55   0.15000  1.0 3.0
   42    41    53    56   0.15000  1.0 3.0
   42    41    74    66   0.08050  1.0 3.0
   53    41    74    66  -0.25900  1.0 1.0
   53    41    74    66  -0.47000 -1.0 2.0
   53    41    74    66   0.11750  1.0 3.0
   53    56    57    58   0.15000  1.0 3.0
   53    56    57    63   0.34400  1.0 1.0
   53    56    57    63   0.09450 -1.0 2.0
   53    56    57    63   0.11100  1.0 3.0
   53    56    57    65   0.62750  1.0 1.0
   53    56    57    65  -0.30950 -1.0 2.0
   53    56    57    65   0.27300  1.0 3.0
   53    56    59    60   0.00000  1.0 1.0
   53    56   -59    66  -0.43950  1.0 1.0
   53    56   -59    66  -0.08100 -1.0 2.0
   53    56   -59    66   0.03350  1.0 3.0
   53    56    61    62  -0.11600  1.0 1.0
   53    56    61    62  -0.09450 -1.0 2.0
   53    56    61    62   0.21250  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   55    53    56    61   0.23400  1.0 3.0
   56    57    63    64   0.00000  1.0 1.0
   56    57    63    68   0.09850  1.0 1.0
   56    57    63    68   0.15250 -1.0 2.0
   56    57    63    68  -0.50650  1.0 3.0
   56    57    65    70   0.06250  1.0 1.0
   56    57    65    70  -0.01100 -1.0 2.0
   56    57    65    70   0.28050  1.0 3.0
   56    59    66    67   3.04450 -1.0 2.0
   56    59    66    74   2.45000 -1.0 2.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    66  -0.43950  1.0 1.0
   57    56    59    66  -0.08100 -1.0 2.0
   57    56    59    66   0.03350  1.0 3.0
   57    56    61    62  -0.11600  1.0 1.0
   57    56    61    62  -0.09450 -1.0 2.0
   57    56    61    62   0.21250  1.0 3.0
   57    63    68    69   7.00000 -1.0 2.0
   57    63    68    75   7.00000 -1.0 2.0
   57    65    70    71   0.37050  1.0 3.0
   57    65    70    72   0.37050  1.0 3.0
   57    65    70    73   0.37050  1.0 3.0
   58    57    63    64   0.33100  1.0 3.0
   58    57    63    68   0.00000  1.0 1.0
   58    57    65    70   0.37050  1.0 3.0
   63    57    65    70  -0.77900  1.0 1.0
   63    57    65    70  -0.36900 -1.0 2.0
   63    57    65    70   0.40400  1.0 3.0
   63    68    75    76  -0.18600  1.0 3.0
   63    68    75    77   0.28850  1.0 1.0
   63    68    75    77   2.61350 -1.0 2.0
   63    68    75    77   0.78400  1.0 3.0
   64    63    68    69   7.00000 -1.0 2.0
   64    63    68    75   7.00000 -1.0 2.0
   68    75    77    78   7.00000 -1.0 2.0
   68    75    77    81   7.00000 -1.0 2.0
   69    68    75    76   0.00000  1.0 1.0
   69    68    75    77  -0.18600  1.0 3.0
   75    77    78    79   0.00000  1.0 1.0
   75    77    78    80   0.00000  1.0 1.0
   75    77    78    85   1.44450  1.0 1.0
   75    77    78    85   0.06600 -1.0 2.0
   75    77    78    85   0.29250  1.0 3.0
   75    77    81    82   0.00000  1.0 1.0
   75    77    81    83   0.00000  1.0 1.0
   75    77    81    84   0.00000  1.0 1.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    81   7.00000 -1.0 2.0
   77    78    85    86   0.18050 -1.0 2.0
   77    78    85    99   0.18050 -1.0 2.0
   78    77    81    82   0.34800  1.0 3.0
   78    77    81    83   0.34800  1.0 3.0
   78    77    81    84   0.34800  1.0 3.0
   78    85    86    87   3.62500 -1.0 2.0
   78    85    86    88   3.62500 -1.0 2.0
   78    85    99    92   3.62500 -1.0 2.0
   78    85    99   100   3.62500 -1.0 2.0
   79    78    85    86   0.00000  1.0 1.0
   79    78    85    99   0.00000  1.0 1.0
   80    78    85    86   0.00000  1.0 1.0
   80    78    85    99   0.00000  1.0 1.0
   85    86    88    89   3.62500 -1.0 2.0
   85    86    88    91   3.62500 -1.0 2.0
   86    85    99    92   3.62500 -1.0 2.0
   86    85    99   100   3.62500 -1.0 2.0
   86    88    89    90   3.62500 -1.0 2.0
   86    88   -89    92   3.62500 -1.0 2.0
   86    88    91    93   1.00100  1.0 1.0
   86    88    91    93   0.85050 -1.0 2.0
   86    88    91    95   0.81400  1.0 1.0
   86    88    91    95   1.55550 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    91   3.62500 -1.0 2.0
   88    89    92    99   3.62500 -1.0 2.0
   88    89    92   101   3.62500 -1.0 2.0
   88    91    93    94   0.04000 -1.0 2.0
   88    91    93   102   0.76000  1.0 1.0
   88    91    93   102   4.11600 -1.0 2.0
   88    91    95    96   0.00000  1.0 1.0
   88    91    95    97   0.00000  1.0 1.0
   88    91    95    98   0.00000  1.0 1.0
   89    88    91    93   1.00100  1.0 1.0
   89    88    91    93   0.85050 -1.0 2.0
   89    88    91    95   0.81400  1.0 1.0
   89    88    91    95   1.55550 -1.0 2.0
   89    92   -99    85   3.62500 -1.0 2.0
   89    92    99   100   3.62500 -1.0 2.0
   89    92   101   105   1.63200 -1.0 2.0
   90    89    92    99   3.62500 -1.0 2.0
   90    89    92   101   3.62500 -1.0 2.0
   92   101   105   106   0.08050  1.0 3.0
   92   101   105   107   0.08050  1.0 3.0
   92   101   105   108   0.08050  1.0 3.0
   99    85    86    87   3.62500 -1.0 2.0
   99    85   -86    88   3.62500 -1.0 2.0
   99    92   101   105   1.63200 -1.0 2.0
  101    92    99    85   3.62500 -1.0 2.0
  101    92    99   100   3.62500 -1.0 2.0
   91    88    89    90   3.62500 -1.0 2.0
   91    88    89    92   3.62500 -1.0 2.0
   91    93   102   103   0.00000  1.0 1.0
   91    93   102   104   0.00000  1.0 1.0
   91    93   102   109   1.39750  1.0 1.0
   91    93   102   109  -0.07950 -1.0 2.0
   91    93   102   109  -0.18750  1.0 3.0
   93    91    95    96   0.00000  1.0 1.0
   93    91    95    97   0.00000  1.0 1.0
   93    91    95    98   0.00000  1.0 1.0
   93   102   109   110  -0.11250  1.0 3.0
   93   102   109    40  -0.95700  1.0 1.0
   93   102   109    40  -0.18200 -1.0 2.0
   93   102   109    40   0.29450  1.0 3.0
   93   102   109   111  -0.09450  1.0 1.0
   93   102   109   111  -1.12950 -1.0 2.0
   93   102   109   111   0.54000  1.0 3.0
   94    93   102   103   0.00000  1.0 1.0
   94    93   102   104   0.00000  1.0 1.0
   94    93   102   109   0.30150 -1.0 2.0
  102   109    40    33   0.56750  1.0 1.0
  102   109    40    33  -0.07550 -1.0 2.0
  102   109    40    33   0.20000  1.0 3.0
  102   109    40    43   0.56750  1.0 1.0
  102   109    40    43  -0.07550 -1.0 2.0
  102   109    40    43   0.20000  1.0 3.0
  102   109    40    47   0.86500  1.0 1.0
  102   109    40    47  -0.17500 -1.0 2.0
  102   109    40    47   0.20800  1.0 3.0
  102   109   111   112  -0.25900  1.0 1.0
  102   109   111   112  -0.47000 -1.0 2.0
  102   109   111   112   0.11750  1.0 3.0
  103   102   109   110   0.15000  1.0 3.0
  103   102   109    40   0.15000  1.0 3.0
  103   102   109   111   0.23400  1.0 3.0
  104   102   109   110   0.15000  1.0 3.0
  104   102   109    40   0.15000  1.0 3.0
  104   102   109   111   0.23400  1.0 3.0
  109    40    43    44   0.15000  1.0 3.0
  109    40    43    45   0.15000  1.0 3.0
  109    40    43    46   0.15000  1.0 3.0
  109    40    47    48  -0.11600  1.0 1.0
  109    40    47    48  -0.09450 -1.0 2.0
  109    40    47    48   0.21250  1.0 3.0
  109   111   112   113   3.00000 -1.0 2.0
  109   111   112   114   1.63150  1.0 1.0
  109   111   112   114   2.92000 -1.0 2.0
  110   109    40    33   0.15000  1.0 3.0
  110   109    40    43   0.15000  1.0 3.0
  110   109    40    47   0.23400  1.0 3.0
  110   109   111   112   0.08050  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    49   0.56750  1.0 1.0
   40    33    38    49  -0.07550 -1.0 2.0
   40    33    38    49   0.20000  1.0 3.0
   40   109   111   112  -0.25900  1.0 1.0
   40   109   111   112  -0.47000 -1.0 2.0
   40   109   111   112   0.11750  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
  111   109    40    33   0.62750  1.0 1.0
  111   109    40    33  -0.30950 -1.0 2.0
  111   109    40    33   0.27300  1.0 3.0
  111   109    40    43   0.62750  1.0 1.0
  111   109    40    43  -0.30950 -1.0 2.0
  111   109    40    43   0.27300  1.0 3.0
  111   109    40    47   3.69350  1.0 1.0
  111   109    40    47  -1.82950 -1.0 2.0
  111   112   114   115   0.00000  1.0 1.0
  111   112   114   116   0.36750  1.0 3.0
  111   112   114   120   0.36750  1.0 3.0
  112   114   116   117  -0.11250  1.0 3.0
  112   114   116   118  -0.11250  1.0 3.0
  112   114   116   119  -0.11250  1.0 3.0
  112   114   120   121  -0.11250  1.0 3.0
  112   114   120   122  -0.11250  1.0 3.0
  112   114   120   123  -0.11250  1.0 3.0
  113   112   114   115   0.00000  1.0 1.0
  113   112   114   116   0.30150 -1.0 2.0
  113   112   114   120   0.30150 -1.0 2.0
  115   114   116   117   0.15000  1.0 3.0
  115   114   116   118   0.15000  1.0 3.0
  115   114   116   119   0.15000  1.0 3.0
  115   114   120   121   0.15000  1.0 3.0
  115   114   120   122   0.15000  1.0 3.0
  115   114   120   123   0.15000  1.0 3.0
  116   114   120   121   0.15000  1.0 3.0
  116   114   120   122   0.15000  1.0 3.0
  116   114   120   123   0.15000  1.0 3.0
  120   114   116   117   0.15000  1.0 3.0
  120   114   116   118   0.15000  1.0 3.0
  120   114   116   119   0.15000  1.0 3.0
   95    91    93    94   3.04450 -1.0 2.0
   95    91    93   102   1.49850  1.0 1.0
   95    91    93   102   1.53950 -1.0 2.0
   81    77    78    79   0.34800  1.0 3.0
   81    77    78    80   0.34800  1.0 3.0
   81    77    78    85   0.09700  1.0 1.0
   81    77    78    85   0.15600 -1.0 2.0
   81    77    78    85  -0.50800  1.0 3.0
   65    57    63    64   0.00000  1.0 1.0
   65    57    63    68   0.39000  1.0 1.0
   65    57    63    68  -0.05800 -1.0 2.0
   65    57    63    68  -0.55150  1.0 3.0
   59    56    57    58   0.15000  1.0 3.0
   59    56    57    63   0.21700  1.0 1.0
   59    56    57    63   0.68550 -1.0 2.0
   59    56    57    63  -0.27950  1.0 3.0
   59    56    57    65   1.12100  1.0 1.0
   59    56    57    65  -0.16500 -1.0 2.0
   59    56    61    62   0.09550  1.0 1.0
   59    56    61    62   0.17350 -1.0 2.0
   59    56    61    62  -0.55000  1.0 3.0
   59    66   -74    41  -0.80800  1.0 1.0
   59    66   -74    41   2.06850 -1.0 2.0
   60    59    66    67   2.45000 -1.0 2.0
   60    59    66    74   2.56700 -1.0 2.0
   67    66    74    41   3.00000 -1.0 2.0
   74    41    53    54   0.23400  1.0 3.0
   74    41    53    55   0.23400  1.0 3.0
   74    41   -53    56   0.62750  1.0 1.0
   74    41   -53    56  -0.30950 -1.0 2.0
   74    41   -53    56   0.27300  1.0 3.0
   61    56    57    58   0.23400  1.0 3.0
   61    56    57    63   1.05650  1.0 1.0
   61    56    57    63   0.15600 -1.0 2.0
   61    56    57    63   0.53150  1.0 3.0
   61    56    57    65   3.69350  1.0 1.0
   61    56    57    65  -1.82950 -1.0 2.0
   61    56    59    60   0.00000  1.0 1.0
   61    56    59    66  -5.15550  1.0 1.0
   61    56    59    66  -0.87850 -1.0 2.0
   49    38    41    42   0.15000  1.0 3.0
   49    38    41    53   0.56750  1.0 1.0
   49    38    41    53  -0.07550 -1.0 2.0
   49    38    41    53   0.20000  1.0 3.0
   49    38    41    74   0.62750  1.0 1.0
   49    38    41    74  -0.30950 -1.0 2.0
   49    38    41    74   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   57    64    63    68   1.10000 -1.0 2.0
   75    69    68    63   1.10000 -1.0 2.0
   68    76    75    77   1.10000 -1.0 2.0
   78    81    77    75   1.10000 -1.0 2.0
   86    99    85    78   4.00000 -1.0 2.0
   88    87    86    85   1.10000 -1.0 2.0
   89    91    88    86   4.00000 -1.0 2.0
   92    90    89    88   4.00000 -1.0 2.0
   99   101    92    89   4.00000 -1.0 2.0
   92   100    99    85   1.10000 -1.0 2.0
   95    93    91    88   1.00000 -1.0 2.0
   91   102    93    94  10.50000 -1.0 2.0
  111   114   112   113  10.50000 -1.0 2.0
   60    66    59    56   1.00000 -1.0 2.0
   59    74    66    67  10.50000 -1.0 2.0
END
