* LIGAND DATABASE FILE (OPLS2005)
*
001     115   120    223    369     677
    1     0 S   NP   _N1_     1    29.34744   100.15312   -19.26875
    2     1 S   H    _HN1     2     1.02783    77.65294   -85.96432
    3     1 S   H    _H1_     3     1.02949    60.41685    33.77251
    4     1 S   H    _H2_     4     1.02830    68.95753   159.11568
    5     1 S   CT   _CA1     5     1.50138   168.97631    68.86205
    6     5 S   HC   _HA1     6     1.09564   105.17504   145.26377
    7     5 S   CO3  _C1_     7     1.53788   112.59381    25.00550
    8     7 S   O2Z  _O11     8     1.26391   114.96699   -36.84508
    9     7 S   O2Z  _O12     9     1.26238   115.02414   142.42347
   10     5 S   CT   _CB1    10     1.53091   107.44358   -96.52811
   11    10 S   HC   HB11    11     1.09834   109.47548   -47.33202
   12    10 S   HC   HB12    12     1.09817   110.37129    69.31162
   13    10 S   CT   _CG1    13     1.53011   112.66342  -168.22714
   14    13 S   HC   HG11    14     1.09565   110.74584   -65.78262
   15    13 S   HC   HG12    15     1.09665   109.74807    53.48817
   16    13 S   C    _CD1    16     1.51794   112.13683   174.04083
   17    16 S   O    _OE1    17     1.22733   123.23019    10.24488
   18    16 S   N    _N2_    18     1.38617   111.71449  -170.37757
   19    18 S   H    _HN2    19     1.01588   118.98679     1.60059
   20    18 S   CT1  _CA2    20     1.46248   123.39471   178.38190
   21    20 S   HC   _HA2    21     1.09740   109.40014    -2.85369
   22    20 S   C    _C2_    22     1.53439   108.58803  -118.35777
   23    22 S   O    _O2_    23     1.23040   122.28251  -148.52961
   24    20 S   CT   _CB2    32     1.53398   111.39610   119.19695
   25    24 S   HC   HB21    33     1.09435   109.44971    56.24366
   26    24 S   HC   HB22    34     1.09460   110.11210   175.16195
   27    22 S   N    _N3_    24     1.38328   113.57681    38.96128
   28    27 S   H    _HN3    25     1.01615   119.54402    -3.53795
   29    24 S   S    _SG2    35     1.83074   110.76722   -65.27810
   30    27 S   CT   _CA3    26     1.45284   123.19959   177.04686
   31    30 S   HC   HA31    27     1.09553   107.52597   -64.04939
   32    30 S   HC   HA32    28     1.09559   107.96385    52.38294
   33    29 S   CT   _C28    36     1.86128   101.88481   168.76567
   34    30 S   CO3  _C3_    29     1.52960   114.07685   174.35663
   35    34 S   O2Z  _O31    30     1.26382   116.05379    -0.95491
   36    34 S   O2Z  _O32    31     1.26427   114.41427   179.10825
   37    33 S   CM   _C10    37     1.51112   109.21510   -62.42086
   38    37 S   HC   _H47    38     1.08760   119.19403    89.71702
   39    33 S   CT   _C21    52     1.55195   113.33256   174.27347
   40    39 S   HC   _H60    53     1.10139   104.89854  -159.38190
   41    33 S   CO4  _C13    64     1.54016   106.60930    57.93205
   42    41 S   O    _O34    65     1.22808   123.27850  -104.97799
   43    37 S   CM   _C11    39     1.34235   123.13741   -89.80914
   44    43 S   HC   _H48    40     1.08683   118.96552   178.49247
   45    39 S   CO4  _C12    54     1.53177   108.93782   -53.72656
   46    45 S   O    _O33    55     1.22324   125.16882   134.27018
   47    43 S   CT   _C29    41     1.50993   122.26588     2.41508
   48    45 S   CA   _C6_    56     1.48967   115.52832   -48.15360
   49    47 S   CT   _C19    42     1.55516   106.74545    90.97574
   50    49 S   HC   _H57    43     1.09175   111.16812   -44.61732
   51    49 S   HC   _H58    44     1.10043   108.56161    71.09503
   52    48 S   CA   _C4_    57     1.39758   118.71419  -165.59275
   53    52 S   HA   _H45    58     1.08728   121.21090    -0.98079
   54    47 S   OH   _O42   114     1.43405   108.65876  -155.54909
   55    54 S   HO   _H80   115     0.97187   108.98416   -56.64514
   56    49 S   CT   _C31    45     1.53193   114.68044  -168.11555
   57    52 S   CA   _C5_    59     1.39466   120.11886   178.65564
   58    57 S   HA   _H46    60     1.08790   118.55013   179.51463
   59    56 S   CT   _C15    46     1.52123   110.16234    52.21359
   60    59 S   HC   _H49    47     1.09695   110.46512  -176.30467
   61    59 S   HC   _H50    48     1.09390   112.12630    63.64675
   62    57 S   CA   _C8_    61     1.40319   120.99241    -0.46772
   63    56 S   CT   _C34   108     1.53140   110.11457   174.18722
   64    63 S   HC   _H73   109     1.09549   110.58666    59.82891
   65    63 S   HC   _H74   110     1.09486   111.76766   -61.21257
   66    63 S   HC   _H75   111     1.09595   110.98153   177.74484
   67    56 S   OH   _O43   112     1.42812   109.08332   -68.12280
   68    67 S   HO   _H81   113     0.97267   108.22038   179.79347
   69    59 S   CO4  _C14    49     1.51024   109.77112   -57.71813
   70    69 S   O    _O35    50     1.23481   119.13784  -122.64163
   71    62 S   CA   _C9_    62     1.40776   118.43834     1.33559
   72    62 S   CT   _C20    68     1.51914   120.40187   179.03065
   73    72 S   HC   _H59    69     1.09741   109.06888   151.27901
   74    47 S   CT   _C30    51     1.57292   111.06728   -36.38572
   75    48 S   CA   _C7_    63     1.40326   121.11984    13.77081
   76    71 S   OH   _O38    66     1.37229   116.87675   177.72634
   77    76 S   HO   _H76    67     0.97354   109.37634   176.96565
   78    72 S   CT   _C18    70     1.53021   110.69316   -87.03607
   79    78 S   HC   _H55    71     1.09714   111.29508   -59.44839
   80    78 S   HC   _H56    72     1.09901   110.37873    57.69690
   81    78 S   CT   _C23    73     1.52608   110.70026   177.99826
   82    81 S   HC   _H62    74     1.09675   110.38861    70.33397
   83    74 S   OS   _O44    88     1.46649   111.61323   -92.61330
   84    81 S   CT   _C24    75     1.53176   110.73804   -51.72115
   85    84 S   HC   _H63    76     1.09710   108.91049   -70.94008
   86    81 S   OH   _O40    86     1.42580   109.32406  -172.06783
   87    86 S   HO   _H78    87     0.97250   107.59275   -58.94823
   88    83 S   CO   _C27    89     1.43039   120.32611    60.73797
   89    88 S   HC   _H66    90     1.09182   111.31227    17.02524
   90    84 S   CT   _C26    77     1.53445   110.77025    50.43653
   91    90 S   HC   _H65    78     1.09800   110.37377    66.40992
   92    84 S   OH   _O41    84     1.42678   109.79922   172.23042
   93    92 S   HO   _H79    85     0.97226   108.09624   -58.60144
   94    88 S   CT   _C17    91     1.53180   108.36654   135.19898
   95    94 S   HC   _H53    92     1.09574   110.50579   -52.91489
   96    94 S   HC   _H54    93     1.09677   109.18218  -171.42084
   97    72 S   OS   _O36    79     1.43416   109.79157    34.38524
   98    90 S   CT   _C33    80     1.52520   111.59944  -174.00521
   99    98 S   HC   _H70    81     1.09565   110.91230    60.54893
  100    98 S   HC   _H71    82     1.09396   111.69649   -60.93748
  101    98 S   HC   _H72    83     1.09555   110.28265   178.40235
  102    94 S   CT   _C16    94     1.52828   111.32799    68.51463
  103   102 S   HC   _H51    95     1.09605   108.99243   173.72589
  104   102 S   HC   _H52    96     1.09662   109.47877   -68.97875
  105   102 S   CT   _C22    97     1.52704   110.74526    51.88622
  106   105 S   HC   _H61    98     1.09578   110.08232  -172.19828
  107   105 S   CT   _C25    99     1.53498   110.63495   -50.49714
  108   107 S   HC   _H64   100     1.09730   109.49387   -66.00563
  109   105 S   OH   _O39   106     1.42796   109.04364    70.35580
  110   109 S   HO   _H77   107     0.97233   107.55265    59.94255
  111    88 S   OS   _O37   101     1.43107   113.31275  -102.92005
  112   107 S   CT   _C32   102     1.52462   112.36953   173.92478
  113   112 S   HC   _H67   103     1.09531   111.51639   -65.15168
  114   112 S   HC   _H68   104     1.09570   110.10725   177.05397
  115   112 S   HC   _H69   105     1.09411   111.30479    56.73021
  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  11   5   4   3
  17   2   1   1  13   5  18   8  10   3  11   4  11   4  14   9
  17   7   6   7   4   5   1  12   9   3  12   6   5  12   6   3
   2   1   2   1   4   2   7  14   6   5   2   1   1  11   6   5
  11   6   8  12   7   3   1  12   6   8   6   3   1  10   6   5
   4   3   2   1   1  10   5   4  10   6   8   6   3   1   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    74    39    40    45    75    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    69    74    39    40    45    46    48    71    75    41    42    83  
   35    36  
   36  
    0  
   38    43    44    47    49    74    39    40    45    75    41    42    54  
   43    44    47    39    41  
   40    45    46    48    52    75    41    42    83    88    54    43    47    49    59    69    70    74  
   45    46    48    41    83    47    69    74  
   42    76    43    45    48    52    62    71    74    75  
   48    71    75  
   44    47    49    50    51    56    69    74    83    54    55  
   47    49    74    54  
   46    48    52    53    57    71    75    83    47    69    74  
   48    52    75    74  
   49    50    51    56    59    69    70    74    83    88    63    67    54    55  
   52    53    57    58    62    71    75    76    74  
   50    51    56    59    60    61    69    74    83    63    64    65    66    67    68    54    55  
   51    56    59    74    63    67    54  
   56    59    74    63    67    54  
   53    57    58    62    71    75    72  
   57    58    62    75  
   55    56    69    74    83  
   74  
   59    60    61    69    70    74    63    64    65    66    67    68  
   58    62    71    75    76    72    73    78    97  
   62    71    72  
   60    61    69    70    74    83    63    64    65    66    67    68  
   61    69    70    74    63    67  
   69    70    74    63    67  
   71    75    76    77    72    73    78    79    80    81    90    97  
   64    65    66    67    68    69  
   65    66    67  
   66    67  
   67  
   68    69  
    0  
   70    74    83    88  
   74    83  
   75    76    77    72    73    78    97  
   73    78    79    80    81    82    84    90    91    97    98    86    75    76  
   78    79    80    81    90    97  
   83    88    89    94   111  
   76    77  
   77  
    0  
   79    80    81    82    84    85    90    97    92    86    87  
   80    81    82    84    97    86  
   81    82    84    97    86  
   82    84    85    90    91    97    98    92    93    86    87  
   84    85    90    92    86    87  
   88    89    94    95    96   102   107   111  
   85    90    91    97    98    99   100   101    92    93    86    87  
   90    91    97    98    92    93    86  
   87    90    92  
    0  
   89    94    95    96   102   103   104   105   107   108   111   112  
   94    95    96   102   107   111  
   91    97    98    99   100   101    92    93  
   97    98    99   100   101    92  
   93    97    98  
    0  
   95    96   102   103   104   105   106   107   111   109  
   96   102   103   104   105   111  
  102   103   104   105   111  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   111   112   109   110  
  104   105   106   107   109  
  105   106   107   109  
  106   107   108   111   112   113   114   115   109   110  
  107   108   111   112   109   110  
  108   111   112   113   114   115   109   110  
  111   112   113   114   115   109  
  110   111   112  
    0  
  112   113   114   115  
  113   114   115  
  114   115  
  115  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  111   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    41   317.000  1.522
   37    38   340.000  1.080
   37    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    49   268.000  1.529
   47    74   268.000  1.529
   47    54   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    59   268.000  1.529
   56    63   268.000  1.529
   56    67   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    69   317.000  1.522
   69    70   570.000  1.229
   69    74   317.000  1.522
   74    39   268.000  1.529
   74    83   320.000  1.410
   39    40   340.000  1.090
   39    45   317.000  1.522
   45    46   570.000  1.229
   45    48   310.000  1.470
   48    52   469.000  1.400
   48    75   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    71   469.000  1.400
   62    72   317.000  1.510
   71    75   469.000  1.400
   71    76   450.000  1.364
   75    41   310.000  1.470
   41    42   570.000  1.229
   76    77   553.000  0.945
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    97   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    84   268.000  1.529
   81    86   320.000  1.410
   84    85   340.000  1.090
   84    90   268.000  1.529
   84    92   320.000  1.410
   90    91   340.000  1.090
   90    97   320.000  1.410
   90    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   92    93   553.000  0.945
   86    87   553.000  0.945
   83    88   320.000  1.380
   88    89   340.000  1.090
   88    94   250.000  1.527
   88   111   320.000  1.380
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   268.000  1.529
  105   109   320.000  1.410
  107   108   340.000  1.090
  107   111   320.000  1.410
  107   112   268.000  1.529
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  109   110   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   553.000  0.945
   54    55   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  110.18000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    74    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    45    63.00000  111.10000
   33    41    75    65.00000  115.47100
   33    41    42    80.00000  120.40000
   37    43    44    35.00000  120.00000
   37    43    47    70.00000  124.00000
   43    37    38    35.00000  120.00000
   43    47    49    70.00000  112.02700
   43    47    74    70.00000  112.02700
   43    47    54    90.00000  110.39200
   47    43    44    35.00000  117.00000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    56    58.35000  112.70000
   47    74    69    63.00000  111.10000
   47    74    39    58.35000  112.70000
   47    74    83    50.00000  109.50000
   47    54    55    55.00000  108.50000
   49    56    59    58.35000  112.70000
   49    56    63    58.35000  112.70000
   49    56    67    50.00000  109.50000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    69    63.00000  111.10000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   56    67    68    55.00000  108.50000
   59    69    70    80.00000  120.40000
   59    69    74    70.00000  116.00000
   61    59    60    33.00000  107.80000
   69    59    60    35.00000  109.50000
   69    59    61    35.00000  109.50000
   69    74    39    63.00000  111.10000
   69    74    83    90.00000  108.74100
   74    47    49    58.35000  112.70000
   74    69    70    80.00000  120.40000
   74    39    40    37.50000  110.70000
   74    39    45    63.00000  111.10000
   74    83    88    60.00000  109.50000
   39    33    37    70.00000  112.02700
   39    45    46    80.00000  120.40000
   39    45    48    65.00000  115.47100
   45    39    40    35.00000  109.50000
   45    48    52    60.00000  119.52600
   45    48    75    60.00000  119.52600
   48    45    46    75.00000  123.78400
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    75    71    63.00000  120.00000
   48    75    41    60.00000  119.52600
   52    57    58    35.00000  120.00000
   52    57    62    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    62    71    63.00000  120.00000
   57    62    72    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    71    75    63.00000  120.00000
   62    71    76    70.00000  120.00000
   62    72    73    35.00000  109.50000
   62    72    78    70.00000  112.17500
   62    72    97    85.00000  111.85700
   71    75    41    60.00000  119.52600
   71    76    77    35.00000  113.00000
   75    48    52    63.00000  120.00000
   75    41    42    75.00000  123.78400
   41    33    37    70.00000  109.06800
   41    33    39    63.00000  111.10000
   76    71    75    70.00000  120.00000
   72    62    71    70.00000  120.00000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    58.35000  112.70000
   72    97    90    60.00000  109.50000
   78    72    73    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    84    58.35000  112.70000
   78    81    86    50.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    90    58.35000  112.70000
   81    84    92    50.00000  109.50000
   81    86    87    55.00000  108.50000
   84    81    82    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    97    50.00000  109.50000
   84    90    98    58.35000  112.70000
   84    92    93    55.00000  108.50000
   90    84    85    37.50000  110.70000
   90    98    99    37.50000  110.70000
   90    98   100    37.50000  110.70000
   90    98   101    37.50000  110.70000
   97    72    73    35.00000  109.50000
   97    72    78    50.00000  109.50000
   97    90    91    35.00000  109.50000
   98    90    91    37.50000  110.70000
   98    90    97    50.00000  109.50000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   92    84    85    35.00000  109.50000
   92    84    90    50.00000  109.50000
   86    81    82    35.00000  109.50000
   86    81    84    50.00000  109.50000
   83    74    39    50.00000  109.50000
   83    88    89    35.00000  109.50000
   83    88    94    90.00000  108.56700
   83    88   111    92.60000  111.55000
   88    94    95    45.00000  108.72000
   88    94    96    45.00000  108.72000
   88    94   102    75.00000  109.43000
   88   111   107    60.00000  109.50000
   94    88    89    45.00000  112.01100
   94   102   103    37.50000  110.70000
   94   102   104    37.50000  110.70000
   94   102   105    58.35000  112.70000
   96    94    95    33.00000  107.80000
  102    94    95    37.50000  110.70000
  102    94    96    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    58.35000  112.70000
  102   105   109    50.00000  109.50000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   107   108    37.50000  110.70000
  105   107   111    50.00000  109.50000
  105   107   112    58.35000  112.70000
  105   109   110    55.00000  108.50000
  107   105   106    37.50000  110.70000
  107   112   113    37.50000  110.70000
  107   112   114    37.50000  110.70000
  107   112   115    37.50000  110.70000
  111    88    89    35.00000  109.50000
  111    88    94    90.00000  108.56700
  111   107   108    35.00000  109.50000
  112   107   108    37.50000  110.70000
  112   107   111    50.00000  109.50000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  109   105   106    35.00000  109.50000
  109   105   107    50.00000  109.50000
   63    56    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    56    59    50.00000  109.50000
   67    56    63    50.00000  109.50000
   54    47    49    50.00000  109.50000
   54    47    74    50.00000  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
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   78    81    86    87  -0.11600  1.0 1.0
   78    81    86    87  -0.09450 -1.0 2.0
   78    81    86    87   0.21250  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   79    78    81    86   0.23400  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   80    78    81    86   0.23400  1.0 3.0
   81    84    90    91   0.15000  1.0 3.0
   81    84    90    97   0.62750  1.0 1.0
   81    84    90    97  -0.30950 -1.0 2.0
   81    84    90    97   0.27300  1.0 3.0
   81    84    90    98   0.56750  1.0 1.0
   81    84    90    98  -0.07550 -1.0 2.0
   81    84    90    98   0.20000  1.0 3.0
   81    84    92    93  -0.11600  1.0 1.0
   81    84    92    93  -0.09450 -1.0 2.0
   81    84    92    93   0.21250  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    90   0.15000  1.0 3.0
   82    81    84    92   0.23400  1.0 3.0
   82    81    86    87   0.19450  1.0 3.0
   84    81    86    87  -0.11600  1.0 1.0
   84    81    86    87  -0.09450 -1.0 2.0
   84    81    86    87   0.21250  1.0 3.0
   84    90   -97    72   0.06250  1.0 1.0
   84    90   -97    72  -0.01100 -1.0 2.0
   84    90   -97    72   0.28050  1.0 3.0
   84    90    98    99   0.15000  1.0 3.0
   84    90    98   100   0.15000  1.0 3.0
   84    90    98   101   0.15000  1.0 3.0
   85    84    90    91   0.15000  1.0 3.0
   85    84    90    97   0.23400  1.0 3.0
   85    84    90    98   0.15000  1.0 3.0
   85    84    92    93   0.19450  1.0 3.0
   90    84    92    93  -0.11600  1.0 1.0
   90    84    92    93  -0.09450 -1.0 2.0
   90    84    92    93   0.21250  1.0 3.0
   91    90    97    72   0.37050  1.0 3.0
   91    90    98    99   0.15000  1.0 3.0
   91    90    98   100   0.15000  1.0 3.0
   91    90    98   101   0.15000  1.0 3.0
   97    72    78    79   0.23400  1.0 3.0
   97    72    78    80   0.23400  1.0 3.0
   97    72   -78    81   0.62750  1.0 1.0
   97    72   -78    81  -0.30950 -1.0 2.0
   97    72   -78    81   0.27300  1.0 3.0
   97    90    98    99   0.23400  1.0 3.0
   97    90    98   100   0.23400  1.0 3.0
   97    90    98   101   0.23400  1.0 3.0
   98    90    97    72   0.06250  1.0 1.0
   98    90    97    72  -0.01100 -1.0 2.0
   98    90    97    72   0.28050  1.0 3.0
   92    84    90    91   0.23400  1.0 3.0
   92    84    90    97   3.69350  1.0 1.0
   92    84    90    97  -1.82950 -1.0 2.0
   92    84    90    98   0.86500  1.0 1.0
   92    84    90    98  -0.17500 -1.0 2.0
   92    84    90    98   0.20800  1.0 3.0
   86    81    84    85   0.23400  1.0 3.0
   86    81    84    90   0.86500  1.0 1.0
   86    81    84    90  -0.17500 -1.0 2.0
   86    81    84    90   0.20800  1.0 3.0
   86    81    84    92   3.75450  1.0 1.0
   83    74    39    33   0.62750  1.0 1.0
   83    74    39    33  -0.30950 -1.0 2.0
   83    74    39    33   0.27300  1.0 3.0
   83    74    39    40   0.23400  1.0 3.0
   83    74    39    45  -0.09450  1.0 1.0
   83    74    39    45  -1.12950 -1.0 2.0
   83    74    39    45   0.54000  1.0 3.0
   83    88    94    95   0.23400  1.0 3.0
   83    88    94    96   0.23400  1.0 3.0
   83    88    94   102   0.62750  1.0 1.0
   83    88    94   102  -0.30950 -1.0 2.0
   83    88    94   102   0.27300  1.0 3.0
   83    88   111   107  -0.81800  1.0 1.0
   88    94   102   103   0.15000  1.0 3.0
   88    94   102   104   0.15000  1.0 3.0
   88    94   102   105   3.97050  1.0 1.0
   89    88    94    95   0.15000  1.0 3.0
   89    88    94    96   0.15000  1.0 3.0
   89    88    94   102   0.15000  1.0 3.0
   89    88   111   107   0.37050  1.0 3.0
   94    88   111   107   0.06250  1.0 1.0
   94    88   111   107  -0.01100 -1.0 2.0
   94    88   111   107   0.28050  1.0 3.0
   94   102   105   106   0.15000  1.0 3.0
   94   102  -105   107   0.56750  1.0 1.0
   94   102  -105   107  -0.07550 -1.0 2.0
   94   102  -105   107   0.20000  1.0 3.0
   94   102   105   109   0.86500  1.0 1.0
   94   102   105   109  -0.17500 -1.0 2.0
   94   102   105   109   0.20800  1.0 3.0
   95    94   102   103   0.15000  1.0 3.0
   95    94   102   104   0.15000  1.0 3.0
   95    94   102   105   0.15000  1.0 3.0
   96    94   102   103   0.15000  1.0 3.0
   96    94   102   104   0.15000  1.0 3.0
   96    94   102   105   0.15000  1.0 3.0
  102   105   107   108   0.15000  1.0 3.0
  102   105   107   111   0.62750  1.0 1.0
  102   105   107   111  -0.30950 -1.0 2.0
  102   105   107   111   0.27300  1.0 3.0
  102   105   107   112   0.56750  1.0 1.0
  102   105   107   112  -0.07550 -1.0 2.0
  102   105   107   112   0.20000  1.0 3.0
  102   105   109   110  -0.11600  1.0 1.0
  102   105   109   110  -0.09450 -1.0 2.0
  102   105   109   110   0.21250  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  103   102   105   107   0.15000  1.0 3.0
  103   102   105   109   0.23400  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  104   102   105   107   0.15000  1.0 3.0
  104   102   105   109   0.23400  1.0 3.0
  105   107  -111    88   0.06250  1.0 1.0
  105   107  -111    88  -0.01100 -1.0 2.0
  105   107  -111    88   0.28050  1.0 3.0
  105   107   112   113   0.15000  1.0 3.0
  105   107   112   114   0.15000  1.0 3.0
  105   107   112   115   0.15000  1.0 3.0
  106   105   107   108   0.15000  1.0 3.0
  106   105   107   111   0.23400  1.0 3.0
  106   105   107   112   0.15000  1.0 3.0
  106   105   109   110   0.19450  1.0 3.0
  107   105   109   110  -0.11600  1.0 1.0
  107   105   109   110  -0.09450 -1.0 2.0
  107   105   109   110   0.21250  1.0 3.0
  108   107   111    88   0.37050  1.0 3.0
  108   107   112   113   0.15000  1.0 3.0
  108   107   112   114   0.15000  1.0 3.0
  108   107   112   115   0.15000  1.0 3.0
  111    88    94    95   0.23400  1.0 3.0
  111    88    94    96   0.23400  1.0 3.0
  111    88   -94   102   0.62750  1.0 1.0
  111    88   -94   102  -0.30950 -1.0 2.0
  111    88   -94   102   0.27300  1.0 3.0
  111   107   112   113   0.23400  1.0 3.0
  111   107   112   114   0.23400  1.0 3.0
  111   107   112   115   0.23400  1.0 3.0
  112   107   111    88   0.06250  1.0 1.0
  112   107   111    88  -0.01100 -1.0 2.0
  112   107   111    88   0.28050  1.0 3.0
  109   105   107   108   0.23400  1.0 3.0
  109   105   107   111   3.69350  1.0 1.0
  109   105   107   111  -1.82950 -1.0 2.0
  109   105   107   112   0.86500  1.0 1.0
  109   105   107   112  -0.17500 -1.0 2.0
  109   105   107   112   0.20800  1.0 3.0
   63    56    59    60   0.15000  1.0 3.0
   63    56    59    61   0.15000  1.0 3.0
   63    56    59    69  -0.95700  1.0 1.0
   63    56    59    69  -0.18200 -1.0 2.0
   63    56    59    69   0.29450  1.0 3.0
   63    56    67    68  -0.11600  1.0 1.0
   63    56    67    68  -0.09450 -1.0 2.0
   63    56    67    68   0.21250  1.0 3.0
   67    56    59    60   0.23400  1.0 3.0
   67    56    59    61   0.23400  1.0 3.0
   67    56    59    69  -0.09450  1.0 1.0
   67    56    59    69  -1.12950 -1.0 2.0
   67    56    59    69   0.54000  1.0 3.0
   67    56    63    64   0.23400  1.0 3.0
   67    56    63    65   0.23400  1.0 3.0
   67    56    63    66   0.23400  1.0 3.0
   54    47    49    50   0.23400  1.0 3.0
   54    47    49    51   0.23400  1.0 3.0
   54    47    49    56   0.86500  1.0 1.0
   54    47    49    56  -0.17500 -1.0 2.0
   54    47    49    56   0.20800  1.0 3.0
   54    47    74    69  -0.09450  1.0 1.0
   54    47    74    69  -1.12950 -1.0 2.0
   54    47    74    69   0.54000  1.0 3.0
   54    47    74    39   0.86500  1.0 1.0
   54    47    74    39  -0.17500 -1.0 2.0
   54    47    74    39   0.20800  1.0 3.0
   54    47    74    83   3.69350  1.0 1.0
   54    47    74    83  -1.82950 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   47    44    43    37   1.10000 -1.0 2.0
   59    74    69    70  10.50000 -1.0 2.0
   39    48    45    46  10.50000 -1.0 2.0
   52    75    48    45   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   62    58    57    52   1.10000 -1.0 2.0
   71    72    62    57   4.00000 -1.0 2.0
   75    76    71    62   4.00000 -1.0 2.0
   71    41    75    48   4.00000 -1.0 2.0
   33    75    41    42  10.50000 -1.0 2.0
END
