* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    138    205     391
    1     0 S   NP   _N1_     1    28.70635    97.11906   -21.79443
    2     1 S   H    _HN1     2     1.02950    72.22112    21.55947
    3     1 S   H    _H1_     3     1.02830    45.32595   160.21657
    4     1 S   H    _H2_     4     1.02783    92.51944   -86.91178
    5     1 S   CT   _CA1     5     1.50106   151.63185   121.75091
    6     5 S   HC   _HA1     6     1.09573   105.21970    87.45931
    7     5 S   CO3  _C1_     7     1.53804   112.42367   -32.79570
    8     7 S   O2Z  _O11     8     1.26369   115.00879   -43.45635
    9     7 S   O2Z  _O12     9     1.26242   114.95253   135.72430
   10     5 S   CT   _CB1    10     1.53093   107.43047  -154.56358
   11    10 S   HC   HB11    11     1.09828   109.41189   -49.99051
   12    10 S   HC   HB12    12     1.09814   110.43223    66.62770
   13    10 S   CT   _CG1    13     1.52973   112.57244  -170.99451
   14    13 S   HC   HG11    14     1.09592   110.55489   -64.26387
   15    13 S   HC   HG12    15     1.09667   109.85701    54.94274
   16    13 S   C    _CD1    16     1.51799   112.33773   175.39700
   17    16 S   O    _OE1    17     1.22717   123.33206     3.16756
   18    16 S   N    _N2_    18     1.38631   111.56437  -176.91714
   19    18 S   H    _HN2    19     1.01588   118.92023     1.92356
   20    18 S   CT1  _CA2    20     1.46200   123.47514   178.62470
   21    20 S   HC   _HA2    21     1.09736   109.42837    -0.92005
   22    20 S   C    _C2_    22     1.53501   108.60680  -116.44692
   23    22 S   O    _O2_    23     1.23051   122.28683  -148.53445
   24    20 S   CT   _CB2    32     1.53441   111.39774   121.14008
   25    24 S   HC   HB21    33     1.09477   109.42280    54.78595
   26    24 S   HC   HB22    34     1.09342   110.04484   173.61414
   27    22 S   N    _N3_    24     1.38328   113.66065    38.95391
   28    27 S   H    _HN3    25     1.01604   119.54459    -3.51185
   29    24 S   S    _SG2    35     1.82946   111.11927   -65.81651
   30    27 S   CT   _CA3    26     1.45285   123.16496   177.04071
   31    30 S   HC   HA31    27     1.09551   107.51195   -64.30469
   32    30 S   HC   HA32    28     1.09557   107.97370    52.11889
   33    29 S   CT   _C10    36     1.87119   101.39216  -175.38153
   34    30 S   CO3  _C3_    29     1.52944   114.10983   174.10425
   35    34 S   O2Z  _O31    30     1.26372   116.06295    -1.02851
   36    34 S   O2Z  _O32    31     1.26430   114.41182   179.03795
   37    33 S   CT1  _C9_    37     1.54850   110.37837    73.20896
   38    37 S   HC   _H6_    38     1.09541   113.11371   -30.74750
   39    33 S   CT   _C11    68     1.54185   111.48243   -55.59820
   40    39 S   HC   _H10    69     1.09749   110.86428  -170.56733
   41    39 S   HC   _H11    70     1.09618   110.47679    70.22438
   42    37 S   N4   _N4_    39     1.44819   106.54838    87.37075
   43    37 S   CO4  _C13    55     1.52248   114.27478  -155.06468
   44    43 S   O    _O36    56     1.22366   125.42729   -81.35359
   45    39 S   OS   _O34    71     1.44116   110.96994   -50.68217
   46    42 S   C4   _C8_    40     1.36269   126.39164   -88.79255
   47    46 S   O    _O33    41     1.20966   131.97953   -36.12957
   48    42 S   C4T  _C7_    44     1.46045   119.17524    34.98932
   49    48 S   HC   _H5_    45     1.09424   112.85810   100.34628
   50    43 S   OS   _O37    57     1.36572   108.95562    96.46106
   51    45 S   CO4  _C12    72     1.36040   116.08031   176.80163
   52    51 S   O    _O35    73     1.22483   125.49332     0.61230
   53    46 S   C4T  _C6_    42     1.54808    91.18477   139.38811
   54    53 S   HC   _H4_    43     1.10167   110.13304   104.94595
   55    33 S   S    _S1_    46     1.88430   105.61079  -173.03232
   56    50 S   CO   _C14    58     1.43520   116.03415  -178.17662
   57    56 S   HC   _H14    59     1.09612   108.31268  -165.52971
   58    56 S   HC   _H15    60     1.09610   110.03180   -49.10984
   59    51 S   N    _N5_    74     1.36828   110.20649  -179.32449
   60    59 S   H    _H12    75     1.01327   121.07316   179.93744
   61    59 S   H    _H13    76     1.01350   121.06053     0.00000
   62    53 S   CT   _C5_    47     1.52384   115.92399  -129.61880
   63    62 S   HC   _H3_    48     1.09410   111.77485    50.86932
   64    56 S   OS   _O38    61     1.43519   113.18272    72.26815
   65    62 S   CT   _C4_    49     1.52238   110.61720   174.40592
   66    65 S   HC   _H7_    50     1.09596   110.90869    60.06088
   67    65 S   HC   _H8_    51     1.09331   111.95635   -60.79656
   68    65 S   HC   _H9_    52     1.09529   110.46905   178.14713
   69    62 S   OH   _O40    53     1.42706   108.05581   -67.19454
   70    69 S   HO   _H19    54     0.97259   107.54099   177.85488
   71    64 S   CO4  _C15    62     1.36240   115.88197    71.19259
   72    71 S   O    _O39    63     1.22321   126.27685    -0.28667
   73    71 S   CT   _C16    64     1.49828   109.53915   179.58788
   74    73 S   HC   _H16    65     1.09282   109.81685   -62.34721
   75    73 S   HC   _H17    66     1.09375   109.36662   178.54277
   76    73 S   HC   _H18    67     1.09297   109.83729    59.53237
  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
  16   2   1   1  16   8  10   4   3  11   9   2   6  10   4   8
   4   5   4   3  10   5   1   6   3   2   2   1   1   7   6   6
   5   3   2   1   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    55    43    39    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    53    48    49    55    43    44    50    39    40    41    45    51  
   35    36  
   36  
    0  
   38    42    46    47    53    48    49    55    43    44    50    56    39    40    41    45  
   42    46    48    55    43    44    50    39  
   40    41    45    51    52    59    42    43    48    55  
   41    45    51    55  
   45    51    55  
   46    47    53    54    48    49    55    62    43    44    50  
   44    50    56    57    58    64    46    48    55  
   50    56  
   51    52    59    60    61    55  
   47    53    54    48    49    55    62    63    65    69  
   53    54    48    62  
   49    55    62    63    65    69    53    54  
   55    62    53    54  
   56    57    58    64    71  
   52    59    60    61  
   59    60    61  
   54    55    62    63    65    66    67    68    69    70  
   55    62    63    65    69  
   62  
   57    58    64    71    72    73  
   58    64    71  
   64    71  
   60    61  
   61  
    0  
   63    65    66    67    68    69    70  
   65    66    67    68    69    70  
   71    72    73    74    75    76  
   66    67    68    69    70  
   67    68    69  
   68    69  
   69  
   70  
    0  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   56   3.5000   0.0660   0.142800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   61   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    55   222.000  1.810
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   337.000  1.449
   37    43   255.000  1.522
   42    46   440.000  1.369
   42    48   305.000  1.456
   46    47   930.000  1.212
   46    53   250.000  1.540
   53    54   340.000  1.090
   53    48   268.000  1.529
   53    62   260.000  1.519
   48    49   340.000  1.090
   48    55   200.000  1.824
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    69   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   553.000  0.945
   43    44   570.000  1.229
   43    50   214.000  1.327
   50    56   320.000  1.380
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   320.000  1.380
   64    71   214.000  1.327
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   320.000  1.410
   45    51   214.000  1.327
   51    52   570.000  1.229
   51    59   435.000  1.380
   59    60   434.000  1.010
   59    61   434.000  1.010
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  108.68000
   29    33    55    75.00000  118.28000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    80.00000  109.70000
   33    37    43    70.00000  110.61500
   33    55    48    85.00000   99.86700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    50.00000  109.50000
   37    42    46    50.00000  132.10000
   37    42    48    50.00000  132.70000
   37    43    44    75.00000  123.42600
   37    43    50    90.00000  109.72300
   42    37    38    35.00000  109.50000
   42    46    47    75.00000  131.60000
   42    46    53    95.00000   92.72400
   42    48    53   105.00000   87.49700
   42    48    49    50.00000  112.01000
   42    48    55    80.00000  108.62000
   46    53    54    40.00000  113.37500
   46    53    48   100.00000   86.36000
   46    53    62    63.00000  111.10000
   53    46    47    60.00000  136.58000
   53    48    49    37.50000  110.70000
   53    48    55    65.00000  119.05700
   53    62    63    45.00000  111.22300
   53    62    65    70.00000  112.98000
   53    62    69    50.00000  109.50000
   48    42    46   100.00000   93.00000
   48    53    54    37.50000  110.70000
   55    33    37    75.00000  108.68000
   55    48    49    45.00000  109.41400
   62    53    54    45.00000  112.72800
   62    53    48    65.00000  119.52000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   62    69    70    55.00000  108.50000
   65    62    63    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    65    50.00000  109.50000
   43    37    38    45.00000  110.09800
   43    37    42    80.00000  110.29000
   43    50    56    95.00000  111.08000
   50    43    44    83.00000  123.40000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    64    92.60000  111.55000
   56    64    71    95.00000  111.08000
   58    56    57    33.00000  109.50000
   64    56    57    35.00000  109.50000
   64    56    58    35.00000  109.50000
   64    71    72    83.00000  123.40000
   64    71    73    81.00000  111.40000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   73    71    72    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    55    75.00000  111.63000
   39    45    51    83.00000  116.90000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
   45    51    52    83.00000  123.40000
   45    51    59   110.00000  108.75700
   51    59    60    50.00000  116.34900
   51    59    61    50.00000  116.34900
   59    51    52    85.00000  125.96000
   61    59    60    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    55   0.08500  1.0 1.0
   24    29    33    55  -0.53150 -1.0 2.0
   24    29    33    55   0.48050  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.15000  1.0 3.0
   29    33    37    42   0.71400  1.0 1.0
   29    33    37    42   0.04300 -1.0 2.0
   29    33    37    42   0.01450  1.0 3.0
   29    33    37    43  -2.17200  1.0 1.0
   29    33    37    43  -0.85700 -1.0 2.0
   29    33    55    48   0.08500  1.0 1.0
   29    33    55    48  -0.53150 -1.0 2.0
   29    33    55    48   0.48050  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    42    46   0.00000  1.0 1.0
   33    37   -42    48   0.00000  1.0 1.0
   33    37    43    44   0.00000  1.0 1.0
   33    37    43    50   0.36750  1.0 3.0
   33    39    45    51  -0.25900  1.0 1.0
   33    39    45    51  -0.47000 -1.0 2.0
   33    39    45    51   0.11750  1.0 3.0
   37    33   -55    48  -0.25000 -1.0 2.0
   37    33   -55    48  -0.01800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    45   0.62750  1.0 1.0
   37    33    39    45  -0.30950 -1.0 2.0
   37    33    39    45   0.27300  1.0 3.0
   37    42    46    47   3.00000 -1.0 2.0
   37    42    46    53   3.00000 -1.0 2.0
   37    42   -48    53   0.00000  1.0 1.0
   37    42    48    49   0.00000  1.0 1.0
   37    42   -48    55   0.00000  1.0 1.0
   37    43    50    56   1.63150  1.0 1.0
   37    43    50    56   2.92000 -1.0 2.0
   38    37    42    46   0.00000  1.0 1.0
   38    37    42    48   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    50   0.00000  1.0 1.0
   42    37    43    44   0.00000  1.0 1.0
   42    37    43    50   0.40000  1.0 3.0
   42    46    53    54   0.00000  1.0 1.0
   42    46   -53    48   3.00000 -1.0 2.0
   42    46    53    62   1.39750  1.0 1.0
   42    46    53    62  -0.07950 -1.0 2.0
   42    46    53    62  -0.18750  1.0 3.0
   42    48   -55    33   0.01700  1.0 1.0
   42    48   -55    33  -0.23550 -1.0 2.0
   42    48   -55    33   0.21350  1.0 3.0
   46    42   -48    53   0.00000  1.0 1.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    55   0.00000  1.0 1.0
   46    53   -48    42   3.00000 -1.0 2.0
   46    53   -48    49   0.15000  1.0 3.0
   46    53   -48    55   0.00000  1.0 1.0
   46    53    62    63  -0.11250  1.0 3.0
   46    53    62    65  -0.95700  1.0 1.0
   46    53    62    65  -0.18200 -1.0 2.0
   46    53    62    65   0.29450  1.0 3.0
   46    53    62    69  -0.09450  1.0 1.0
   46    53    62    69  -1.12950 -1.0 2.0
   46    53    62    69   0.54000  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    48  -0.11250  1.0 1.0
   47    46    53    48   0.11400 -1.0 2.0
   47    46    53    48  -0.28950  1.0 3.0
   47    46    53    62   0.30150 -1.0 2.0
   53    48    55    33   0.25150  1.0 1.0
   53    48    55    33  -1.17200 -1.0 2.0
   53    48    55    33   0.53050  1.0 3.0
   53    62    65    66   0.15000  1.0 3.0
   53    62    65    67   0.15000  1.0 3.0
   53    62    65    68   0.15000  1.0 3.0
   53    62    69    70  -0.11600  1.0 1.0
   53    62    69    70  -0.09450 -1.0 2.0
   53    62    69    70   0.21250  1.0 3.0
   54    53   -48    42   0.15000  1.0 3.0
   54    53    48    49   0.15000  1.0 3.0
   54    53    48    55   0.00000  1.0 1.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   54    53    62    69   0.23400  1.0 3.0
   48    42   -46    47   3.00000 -1.0 2.0
   48    42   -46    53   3.00000 -1.0 2.0
   48    53    62    63   0.00000  1.0 1.0
   48    53    62    65   0.04050  1.0 1.0
   48    53    62    65   0.63700 -1.0 2.0
   48    53    62    65   0.17650  1.0 3.0
   48    53    62    69   0.86500  1.0 1.0
   48    53    62    69  -0.17500 -1.0 2.0
   48    53    62    69   0.20800  1.0 3.0
   49    48    55    33   0.00000  1.0 1.0
   55    33    37    38   0.15000  1.0 3.0
   55    33   -37    42   0.71400  1.0 1.0
   55    33   -37    42   0.04300 -1.0 2.0
   55    33   -37    42   0.01450  1.0 3.0
   55    33    37    43  -2.17200  1.0 1.0
   55    33    37    43  -0.85700 -1.0 2.0
   55    33    39    40   0.15000  1.0 3.0
   55    33    39    41   0.15000  1.0 3.0
   55    33    39    45   0.56750  1.0 1.0
   55    33    39    45  -0.07550 -1.0 2.0
   55    33    39    45   0.20000  1.0 3.0
   62    53   -48    42   0.43900  1.0 1.0
   62    53   -48    42   0.49100 -1.0 2.0
   62    53   -48    42   0.28400  1.0 3.0
   62    53    48    49   0.15000  1.0 3.0
   62    53    48    55   0.44750  1.0 1.0
   62    53    48    55  -0.17800 -1.0 2.0
   62    53    48    55   0.20200  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   65    62    69    70  -0.11600  1.0 1.0
   65    62    69    70  -0.09450 -1.0 2.0
   65    62    69    70   0.21250  1.0 3.0
   69    62    65    66   0.23400  1.0 3.0
   69    62    65    67   0.23400  1.0 3.0
   69    62    65    68   0.23400  1.0 3.0
   43    37    42    46   0.00000  1.0 1.0
   43    37    42    48   0.00000  1.0 1.0
   43    50    56    57   0.08050  1.0 3.0
   43    50    56    58   0.08050  1.0 3.0
   43    50    56    64  -1.83450  1.0 1.0
   43    50    56    64  -0.02700 -1.0 2.0
   43    50    56    64  -0.20100  1.0 3.0
   44    43    50    56   3.00000 -1.0 2.0
   50    56    64    71  -1.83450  1.0 1.0
   50    56    64    71  -0.02700 -1.0 2.0
   50    56    64    71  -0.20100  1.0 3.0
   56    64    71    72   3.00000 -1.0 2.0
   56    64    71    73   1.63150  1.0 1.0
   56    64    71    73   2.92000 -1.0 2.0
   57    56    64    71   0.08050  1.0 3.0
   58    56    64    71   0.08050  1.0 3.0
   64    71    73    74   0.00000  1.0 1.0
   64    71    73    75   0.00000  1.0 1.0
   64    71    73    76   0.00000  1.0 1.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.42250  1.0 1.0
   39    33    37    42  -0.48100 -1.0 2.0
   39    33    37    42   0.35650  1.0 3.0
   39    33    37    43  -0.84850  1.0 1.0
   39    33    37    43  -0.22800 -1.0 2.0
   39    33    37    43   0.29250  1.0 3.0
   39    33    55    48  -0.25000 -1.0 2.0
   39    33    55    48  -0.01800  1.0 3.0
   39    45    51    52   3.00000 -1.0 2.0
   39    45    51    59  -0.80800  1.0 1.0
   39    45    51    59   2.06850 -1.0 2.0
   40    39    45    51   0.08050  1.0 3.0
   41    39    45    51   0.08050  1.0 3.0
   45    51    59    60   2.56700 -1.0 2.0
   45    51    59    61   2.56700 -1.0 2.0
   52    51    59    60   2.45000 -1.0 2.0
   52    51    59    61   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    46    42    37   1.00000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   37    50    43    44  10.50000 -1.0 2.0
   64    73    71    72  10.50000 -1.0 2.0
   45    59    51    52  10.50000 -1.0 2.0
   61    51    59    60   1.00000 -1.0 2.0
END
