* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    110    151     310
    1     0 S   NP   _N1_     1    28.83672    96.51239   -22.69597
    2     1 S   H    _HN1     2     1.02950    70.50839    14.63526
    3     1 S   H    _H1_     3     1.02829    41.84724   164.18695
    4     1 S   H    _H2_     4     1.02785   100.93343   -91.15123
    5     1 S   CT   _CA1     5     1.50108   143.72899   112.85391
    6     5 S   HC   _HA1     6     1.09573   105.19881    93.08020
    7     5 S   CO3  _C1_     7     1.53789   112.46336   -27.16464
    8     7 S   O2Z  _O11     8     1.26371   115.00684   -42.58920
    9     7 S   O2Z  _O12     9     1.26239   114.94625   136.56099
   10     5 S   CT   _CB1    10     1.53083   107.42803  -148.92865
   11    10 S   HC   HB11    11     1.09832   109.38200   -49.70676
   12    10 S   HC   HB12    12     1.09812   110.44725    66.90750
   13    10 S   CT   _CG1    13     1.52987   112.59386  -170.68164
   14    13 S   HC   HG11    14     1.09582   110.63045   -65.54409
   15    13 S   HC   HG12    15     1.09671   109.78403    53.68100
   16    13 S   C    _CD1    16     1.51800   112.24120   174.14586
   17    16 S   O    _OE1    17     1.22726   123.30098     6.95866
   18    16 S   N    _N2_    18     1.38657   111.65072  -173.18433
   19    18 S   H    _HN2    19     1.01588   118.94563     1.78443
   20    18 S   CT1  _CA2    20     1.46210   123.40125   177.38880
   21    20 S   HC   _HA2    21     1.09725   109.34703     2.73380
   22    20 S   C    _C2_    22     1.53595   108.94329  -112.84000
   23    22 S   O    _O2_    23     1.23062   122.19536  -151.65943
   24    20 S   CT   _CB2    32     1.53281   111.42994   124.75805
   25    24 S   HC   HB21    33     1.09589   109.83190    55.65722
   26    24 S   HC   HB22    34     1.09491   110.19863   174.73188
   27    22 S   N    _N3_    24     1.38272   113.91097    35.74073
   28    27 S   H    _HN3    25     1.01578   119.59385    -3.19874
   29    24 S   S    _SG2    35     1.83117   111.52941   -65.20313
   30    27 S   CT   _CA3    26     1.45276   123.19417   177.32834
   31    30 S   HC   HA31    27     1.09548   107.53866   -64.25355
   32    30 S   HC   HA32    28     1.09562   107.95296    52.18367
   33    29 S   CA   _C8_    36     1.79525   101.25772   173.19058
   34    30 S   CO3  _C3_    29     1.52952   114.06577   174.18527
   35    34 S   O2Z  _O31    30     1.26377   116.06724     0.19782
   36    34 S   O2Z  _O32    31     1.26427   114.41215  -179.75371
   37    33 S   CA   _C6_    37     1.39689   121.67480  -165.19198
   38    37 S   Cl   CL18    38     1.72716   123.36354     0.27695
   39    37 S   CA   _C4_    39     1.39622   118.84286   180.00000
   40    39 S   HA   _H19    40     1.08774   120.23708  -179.75772
   41    39 S   CA   _C5_    41     1.38986   119.65172     0.17017
   42    41 S   Cl   CL17    42     1.72057   119.72156  -179.89347
   43    41 S   CA   _C7_    43     1.38477   118.08147     0.31959
   44    33 S   NB   _N10    44     1.35621   116.66096    15.45121
   45    43 S   OS   _O33    45     1.37783   118.51681  -179.74977
   46    45 S   P1   _P15    46     1.62269   123.34609  -172.91468
   47    46 S   ST   _S16    47     1.94876   116.83575    65.22867
   48    46 S   OS   _O34    48     1.62643   102.13322   -64.08071
   49    46 S   OS   _O13    56     1.62715   101.01713  -167.97457
   50    48 S   CT   _C11    49     1.42094   119.51727  -169.39845
   51    50 S   HC   _H26    50     1.09336   109.39603   -65.63768
   52    50 S   HC   _H27    51     1.09419   109.62723    53.72308
   53    49 S   CT   _C12    57     1.42111   119.68904   -64.98762
   54    53 S   HC   _H28    58     1.09387   109.21555   -71.22645
   55    53 S   HC   _H29    59     1.09423   109.89238    48.28031
   56    50 S   CT   _C9_    52     1.51452   108.70082   174.08500
   57    56 S   HC   _H20    53     1.09498   110.58343   -59.40295
   58    56 S   HC   _H21    54     1.09458   110.76589    58.87369
   59    56 S   HC   _H22    55     1.09354   110.89600   179.74821
   60    53 S   CT   _C10    60     1.51447   108.55935   168.73883
   61    60 S   HC   _H23    61     1.09504   110.59405   -59.41160
   62    60 S   HC   _H24    62     1.09503   110.63318    58.83847
   63    60 S   HC   _H25    63     1.09354   110.92181   179.72876
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   8   2   1   1   7   4   6   3   5   3   6   2   6  11   4   9
   8   6   5   4   6   5   4   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    43    44    45  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    44  
   40    41    42    43    44    45  
   41    42    43  
   42    43    44    45    46  
   43    44    45  
   44    45    46    47    48    49  
   45    46  
   46    47    48    50    49    53  
   47    48    50    51    52    56    49    53    54    55    60  
   48    50    49    53  
   50    51    52    56    57    58    59    49    53  
   53    54    55    60    61    62    63    50  
   51    52    56    57    58    59  
   52    56    57    58    59  
   56    57    58    59  
   54    55    60    61    62    63  
   55    60    61    62    63  
   60    61    62    63  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63  
   62    63  
   63  
    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  -0.320000   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   3.5500   0.0700   0.637500   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.112000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   39   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   41   3.5500   0.0700  -0.112000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5500   0.0700   0.585000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   45   2.8500   0.1400  -0.288200   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.154100   2.1070   1.8700   0.005000000   0.000000000
   47   4.2500   0.5000  -0.589500   2.3875   2.1250   0.025682759  -1.666211680
   48   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   49   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.152900   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   250.000  1.760
   33    37   469.000  1.400
   33    44   483.000  1.339
   37    38   300.000  1.725
   37    39   469.000  1.400
   39    40   367.000  1.080
   39    41   469.000  1.400
   41    42   300.000  1.725
   41    43   469.000  1.400
   43    44   483.000  1.339
   43    45   450.000  1.364
   45    46   405.000  1.623
   46    47   270.000  1.959
   46    48   405.000  1.623
   46    49   405.000  1.623
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    44    80.00000  113.48700
   33    37    38    75.00000  120.00000
   33    37    39    63.00000  120.00000
   33    44    43    70.00000  117.00000
   37    39    40    35.00000  120.00000
   37    39    41    63.00000  120.00000
   39    37    38    75.00000  120.00000
   39    41    42    75.00000  120.00000
   39    41    43    63.00000  120.00000
   41    39    40    35.00000  120.00000
   41    43    44    70.00000  124.00000
   41    43    45    70.00000  120.00000
   43    41    42    75.00000  120.00000
   43    45    46    70.00000  122.28900
   44    33    37    70.00000  124.00000
   45    43    44    95.00000  115.10700
   45    46    47    80.00000  117.31900
   45    46    48   120.00000  102.38000
   45    46    49   120.00000  102.38000
   46    48    50    75.00000  119.24600
   46    49    53    75.00000  119.24600
   48    46    47    80.00000  117.31900
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    56    50.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   49    46    47    80.00000  117.31900
   49    46    48   120.00000  102.38000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    60    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    44   0.63150 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    44    43   3.62500 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    41   3.62500 -1.0 2.0
   37    33    44    43   3.62500 -1.0 2.0
   37    39    41    42   3.62500 -1.0 2.0
   37    39   -41    43   3.62500 -1.0 2.0
   38    37    39    40   3.62500 -1.0 2.0
   38    37    39    41   3.62500 -1.0 2.0
   39    41    43    44   3.62500 -1.0 2.0
   39    41    43    45   3.62500 -1.0 2.0
   40    39    41    42   3.62500 -1.0 2.0
   40    39    41    43   3.62500 -1.0 2.0
   41    43   -44    33   3.62500 -1.0 2.0
   41    43    45    46   0.54700 -1.0 2.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   43    45    46    47   0.15000  1.0 3.0
   43    45    46    48   0.88300  1.0 1.0
   43    45    46    48   0.16450 -1.0 2.0
   43    45    46    48   0.32850  1.0 3.0
   43    45    46    49   0.88300  1.0 1.0
   43    45    46    49   0.16450 -1.0 2.0
   43    45    46    49   0.32850  1.0 3.0
   44    33    37    38   3.62500 -1.0 2.0
   44    33   -37    39   3.62500 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   45    43    44    33   3.62500 -1.0 2.0
   45    46    48    50   0.91800  1.0 1.0
   45    46    48    50   0.22900 -1.0 2.0
   45    46    48    50   0.32050  1.0 3.0
   45    46    49    53   0.91800  1.0 1.0
   45    46    49    53   0.22900 -1.0 2.0
   45    46    49    53   0.32050  1.0 3.0
   46    48    50    51   0.03000  1.0 3.0
   46    48    50    52   0.03000  1.0 3.0
   46    48    50    56  -2.65550  1.0 1.0
   46    48    50    56  -0.22350 -1.0 2.0
   46    48    50    56   0.24150  1.0 3.0
   46    49    53    54   0.03000  1.0 3.0
   46    49    53    55   0.03000  1.0 3.0
   46    49    53    60  -2.65550  1.0 1.0
   46    49    53    60  -0.22350 -1.0 2.0
   46    49    53    60   0.24150  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    49    53   0.15000  1.0 3.0
   48    46    49    53   0.91800  1.0 1.0
   48    46    49    53   0.22900 -1.0 2.0
   48    46    49    53   0.32050  1.0 3.0
   48    50    56    57   0.23400  1.0 3.0
   48    50    56    58   0.23400  1.0 3.0
   48    50    56    59   0.23400  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    59   0.15000  1.0 3.0
   49    46    48    50   0.91800  1.0 1.0
   49    46    48    50   0.22900 -1.0 2.0
   49    46    48    50   0.32050  1.0 3.0
   49    53    60    61   0.23400  1.0 3.0
   49    53    60    62   0.23400  1.0 3.0
   49    53    60    63   0.23400  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    44    33    29   4.00000 -1.0 2.0
   39    38    37    33   4.00000 -1.0 2.0
   41    40    39    37   1.10000 -1.0 2.0
   43    42    41    39   4.00000 -1.0 2.0
   44    45    43    41   4.00000 -1.0 2.0
END
