* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    131    204     375
    1     0 S   NP   _N1_     1    29.80472    93.90897   -25.56953
    2     1 S   H    _HN1     2     1.02949    75.38385    18.44952
    3     1 S   H    _H1_     3     1.02828    32.26432  -150.54958
    4     1 S   H    _H2_     4     1.02793   124.73635   -84.00083
    5     1 S   CT   _CA1     5     1.50120   117.66795   124.12831
    6     5 S   HC   _HA1     6     1.09575   105.17583    93.88412
    7     5 S   CO3  _C1_     7     1.53783   112.49226   -26.33361
    8     7 S   O2Z  _O11     8     1.26374   115.00614   -42.00620
    9     7 S   O2Z  _O12     9     1.26242   114.94579   137.09365
   10     5 S   CT   _CB1    10     1.53076   107.41657  -148.13462
   11    10 S   HC   HB11    11     1.09839   109.34854   -49.52005
   12    10 S   HC   HB12    12     1.09811   110.46157    67.08715
   13    10 S   CT   _CG1    13     1.53002   112.62179  -170.47560
   14    13 S   HC   HG11    14     1.09573   110.67232   -66.49716
   15    13 S   HC   HG12    15     1.09673   109.74110    52.73664
   16    13 S   C    _CD1    16     1.51806   112.15439   173.19882
   17    16 S   O    _OE1    17     1.22740   123.24198     9.12856
   18    16 S   N    _N2_    18     1.38648   111.71681  -170.83226
   19    18 S   H    _HN2    19     1.01564   118.96407     1.51878
   20    18 S   CT1  _CA2    20     1.46234   123.43936   177.27825
   21    20 S   HC   _HA2    21     1.09746   109.31141     6.70593
   22    20 S   C    _C2_    22     1.53663   108.72699  -108.76982
   23    22 S   O    _O2_    23     1.23073   122.31512  -147.92518
   24    20 S   CT   _CB2    32     1.53431   111.62725   128.69806
   25    24 S   HC   HB21    33     1.09479   109.76246    56.26262
   26    24 S   HC   HB22    34     1.09365   109.64561   175.01815
   27    22 S   N    _N3_    24     1.38337   113.80418    39.54104
   28    27 S   H    _HN3    25     1.01551   119.60856    -3.09389
   29    24 S   S    _SG2    35     1.82904   111.18673   -64.49644
   30    27 S   CT   _CA3    26     1.45284   123.25501   177.20607
   31    30 S   HC   HA31    27     1.09549   107.49436   -65.12388
   32    30 S   HC   HA32    28     1.09557   108.01461    51.33512
   33    29 S   CT   _C21    36     1.84817   101.19412  -169.93606
   34    33 S   OM   _O39    37     1.31931   110.22857   177.44342
   35    30 S   CO3  _C3_    29     1.52970   114.05221   173.34097
   36    35 S   O2Z  _O31    30     1.26380   116.07750    -0.70388
   37    35 S   O2Z  _O32    31     1.26425   114.41754   179.35867
   38    33 S   CT   _C22    38     1.54544   107.57559   -67.53327
   39    38 S   HC   _H12    39     1.09647   111.58618    67.32002
   40    38 S   HC   _H13    40     1.09821   113.28673   -55.32802
   41    38 S   HC   _H14    41     1.10015   111.19695  -176.30414
   42    33 S   OS   _O38    42     1.44625   114.58991    48.20804
   43    42 S   CA   _C19    43     1.36882   124.14903    60.74720
   44    43 S   CA   _C18    44     1.40561   113.88109  -172.22272
   45    44 S   HA   _H10    45     1.08804   119.72804     0.00000
   46    44 S   CA   _C17    46     1.39704   121.25209   179.72660
   47    46 S   HA   _H9_    47     1.08644   119.58261  -179.78420
   48    46 S   CA   _C16    48     1.40099   119.12671     0.17246
   49    48 S   CA   _C15    49     1.40081   119.57144     0.15066
   50    43 S   CA   _C20    50     1.39615   126.71912     8.06156
   51    50 S   HA   _H11    51     1.08384   122.19651     0.54104
   52    49 S   OS   _O37    52     1.41802   121.82213   179.86878
   53    52 S   CO4  _C14    53     1.40681   121.41406     0.14127
   54    53 S   O    _O36    54     1.22572   121.40323   179.89165
   55    53 S   C5B  _C13    55     1.44585   115.15872    -0.12972
   56    55 S   C56B _C9_    56     1.42369   131.03105  -179.96044
   57    48 S   C5A  _C12    66     1.39322   123.05761  -179.90935
   58    56 S   CA   _C8_    57     1.40909   135.90531    -0.22206
   59    58 S   HA   _H7_    58     1.08617   121.00578    -0.13122
   60    58 S   CA   _C7_    59     1.40009   118.97828  -179.98022
   61    60 S   HA   _H6_    60     1.08662   119.57328   179.64834
   62    60 S   CA   _C6_    61     1.39604   120.04479    -0.54894
   63    62 S   CA   _C11    62     1.39781   122.70760     1.41927
   64    63 S   HA   _H8_    63     1.08281   122.55026   178.85551
   65    62 S   OS   _O34    67     1.40007   118.63880   178.46469
   66    56 S   C56A _C10    64     1.39354   105.61767   179.98022
   67    65 S   CO4  _C5_    68     1.39017   112.82169    92.38554
   68    67 S   O    _O33    69     1.22377   127.07470    -0.07913
   69    66 S   OA   _O35    65     1.36294   110.40815     0.08623
   70    67 S   CT   _C4_    70     1.49987   108.69288   179.94405
   71    70 S   HC   _H3_    71     1.09287   109.82647   -60.89067
   72    70 S   HC   _H4_    72     1.09379   109.32339  -179.91377
   73    70 S   HC   _H5_    73     1.09286   109.82315    61.05769
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  10
   8   4   1   5   7   3   8  10   4   8   4   7   3   8   5   3
   7   1   5   4   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    50  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    50    51  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49    50    51    57  
   46    47    48    50  
   47    48    49    50    52    55    69    57  
   48    49    57  
   49    50    51    52    53    55    56    66    69    57  
   50    51    52    53    54    55    69    57  
   51    52    53    57  
   52  
   53    54    55    56    57  
   54    55    56    58    66    69    57  
   55    56    57  
   56    58    59    60    63    66    69    57  
   58    59    60    61    62    63    64    66    69    57  
   58    63    66    69  
   59    60    61    62    63    66    69    65  
   60    61    62    66  
   61    62    63    64    66    65    67  
   62    63    65  
   63    64    66    69    65    67    68    70  
   64    66    69    65    67  
   66    69    65  
   67    68    70    71    72    73    66  
   69  
   68    70    71    72    73  
   70    71    72    73  
    0  
   71    72    73  
   72    73  
   73  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.387700   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.251300   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   65   3.0000   0.1700  -0.180000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    50   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    57   365.000  1.450
   49    50   469.000  1.400
   49    52   450.000  1.364
   50    51   367.000  1.080
   52    53   214.000  1.327
   53    54   570.000  1.229
   53    55   345.000  1.446
   55    56   380.000  1.440
   55    57   520.000  1.370
   56    58   469.000  1.404
   56    66   447.000  1.419
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   469.000  1.400
   62    65   450.000  1.364
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    69   425.000  1.380
   69    57   340.000  1.360
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    51    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    57    65.00000  121.65900
   48    46    47    35.00000  120.00000
   48    49    50    63.00000  120.00000
   48    49    52    70.00000  120.00000
   48    57    55    55.00000  129.85000
   48    57    69    80.00000  116.57000
   49    50    51    35.00000  120.00000
   49    52    53    85.00000  115.98000
   50    43    44    63.00000  120.00000
   52    49    50    70.00000  120.00000
   52    53    54    83.00000  123.40000
   52    53    55    90.00000  113.34000
   53    55    56    50.00000  130.14000
   53    55    57    60.00000  123.95000
   55    53    54    75.00000  126.12000
   55    56    58    50.00000  134.85500
   55    56    66    80.00000  107.43600
   55    57    69    70.00000  108.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   56    66    63    85.00000  122.70000
   56    66    69   100.00000  108.43400
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    65    70.00000  120.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    66    85.00000  120.00000
   62    65    67    85.00000  115.98000
   63    66    69    70.00000  124.10000
   66    56    58    85.00000  116.20000
   66    63    64    35.00000  120.00000
   66    69    57   110.00000  105.28000
   57    48    49    65.00000  121.65900
   57    55    56    80.00000  105.82900
   65    62    63    70.00000  120.00000
   65    67    68    83.00000  123.40000
   65    67    70    81.00000  111.40000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   70    67    68    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    50   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    50    49   3.62500 -1.0 2.0
   42    43    50    51   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    50    49   3.62500 -1.0 2.0
   44    43    50    51   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    57   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    57    55  -0.19450  1.0 1.0
   46    48    57    55   0.63300 -1.0 2.0
   46    48    57    55   0.07450  1.0 3.0
   46    48    57    69  -0.02050  1.0 1.0
   46    48    57    69   0.57800 -1.0 2.0
   46    48    57    69  -0.12500  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    57   3.62500 -1.0 2.0
   48    49   -50    43   3.62500 -1.0 2.0
   48    49    50    51   3.62500 -1.0 2.0
   48    49    52    53   0.01300  1.0 1.0
   48    49    52    53   0.97950 -1.0 2.0
   48    49    52    53  -0.55700  1.0 3.0
   49    48    57    55  -0.19450  1.0 1.0
   49    48    57    55   0.63300 -1.0 2.0
   49    48    57    55   0.07450  1.0 3.0
   49    48    57    69  -0.02050  1.0 1.0
   49    48    57    69   0.57800 -1.0 2.0
   49    48    57    69  -0.12500  1.0 3.0
   49    52    53    54   3.00000 -1.0 2.0
   49    52   -53    55   2.00000 -1.0 2.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    52    53   0.01300  1.0 1.0
   50    49    52    53   0.97950 -1.0 2.0
   50    49    52    53  -0.55700  1.0 3.0
   52    49    50    43   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    53    55    56   0.98750 -1.0 2.0
   52    53    55    57   0.98750 -1.0 2.0
   53    55    56    58   3.62500 -1.0 2.0
   53    55    56    66   3.62500 -1.0 2.0
   53    55   -57    48   3.62500 -1.0 2.0
   53    55    57    69   3.62500 -1.0 2.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    57   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    60   3.62500 -1.0 2.0
   55    56    66    63   3.00000 -1.0 2.0
   55    56   -66    69   3.62500 -1.0 2.0
   56    55    57    48   3.62500 -1.0 2.0
   56    55   -57    69   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58    60    62   3.62500 -1.0 2.0
   56    66   -69    57   3.62500 -1.0 2.0
   58    56    66    63   3.00000 -1.0 2.0
   58    56    66    69   3.62500 -1.0 2.0
   58    60   -62    63   3.62500 -1.0 2.0
   58    60    62    65   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    66   3.62500 -1.0 2.0
   60    62    65    67   0.01300  1.0 1.0
   60    62    65    67   0.97950 -1.0 2.0
   60    62    65    67  -0.55700  1.0 3.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   62    63   -66    56   3.62500 -1.0 2.0
   62    63    66    69   3.62500 -1.0 2.0
   62    65    67    68   3.00000 -1.0 2.0
   62    65    67    70   0.75600  1.0 1.0
   62    65    67    70   1.63000 -1.0 2.0
   63    62    65    67   0.01300  1.0 1.0
   63    62    65    67   0.97950 -1.0 2.0
   63    62    65    67  -0.55700  1.0 3.0
   63    66    69    57   3.62500 -1.0 2.0
   64    63    66    56   3.62500 -1.0 2.0
   64    63    66    69   3.62500 -1.0 2.0
   66    56    58    59   3.50000 -1.0 2.0
   66    56   -58    60   3.50000 -1.0 2.0
   66    69    57    48   3.62500 -1.0 2.0
   66    69   -57    55   3.62500 -1.0 2.0
   57    48    49    50   3.62500 -1.0 2.0
   57    48   -49    52   3.62500 -1.0 2.0
   57    55    56    58   3.62500 -1.0 2.0
   57    55   -56    66   3.50000 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    66   3.62500 -1.0 2.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    72   0.00000  1.0 1.0
   65    67    70    73   0.00000  1.0 1.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    73   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    50    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    57    48    46   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   49    51    50    43   1.10000 -1.0 2.0
   52    55    53    54  10.50000 -1.0 2.0
   56    57    55    53   4.00000 -1.0 2.0
   58    66    56    55   4.00000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   63    65    62    60   4.00000 -1.0 2.0
   66    64    63    62   1.10000 -1.0 2.0
   63    69    66    56   4.00000 -1.0 2.0
   55    69    57    48   4.00000 -1.0 2.0
   65    70    67    68  10.50000 -1.0 2.0
END
