* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    116    183     343
    1     0 S   NP   _N1_     1    28.60449    97.51878   -20.20238
    2     1 S   H    _HN1     2     1.02966    46.35935   113.96151
    3     1 S   H    _H1_     3     1.02782    96.22238  -137.29419
    4     1 S   H    _H2_     4     1.02850    68.85652   -30.06840
    5     1 S   CT   _CA1     5     1.50579   149.00286    66.32417
    6     5 S   HC   _HA1     6     1.09689   104.57693    98.33852
    7     5 S   CO3  _C1_     7     1.54495   110.79072   -17.30664
    8     7 S   O2Z  _O11     8     1.26007   116.77038  -121.05371
    9     7 S   O2Z  _O12     9     1.26596   113.69621    57.79568
   10     5 S   CT   _CB1    10     1.53148   106.92322  -145.66620
   11    10 S   HC   HB11    11     1.09832   110.00013   -42.12774
   12    10 S   HC   HB12    12     1.09776   110.13640    74.55989
   13    10 S   CT   _CG1    13     1.52978   112.37213  -162.73859
   14    13 S   HC   HG11    14     1.09400   110.64974   -58.14503
   15    13 S   HC   HG12    15     1.09652   109.93159    60.91285
   16    13 S   C    _CD1    16     1.51771   112.43539  -178.46558
   17    16 S   O    _OE1    17     1.22737   123.38432    -1.65847
   18    16 S   N    _N2_    18     1.38502   111.59847   177.94977
   19    18 S   H    _HN2    19     1.01569   119.00320     5.97803
   20    18 S   CT1  _CA2    20     1.45885   123.06542  -178.73824
   21    20 S   HC   _HA2    21     1.09725   108.87248    22.79192
   22    20 S   C    _C2_    22     1.52816   107.19679   -94.60338
   23    22 S   O    _O2_    23     1.22949   122.85153   -28.15530
   24    20 S   CT   _CB2    32     1.53368   111.81463   145.58835
   25    24 S   HC   HB21    33     1.09223   109.17486    58.28032
   26    24 S   HC   HB22    34     1.09487   110.38908   176.53909
   27    22 S   N    _N3_    24     1.38585   112.39144   154.64647
   28    27 S   H    _HN3    25     1.01502   119.73054     1.13160
   29    24 S   S    _SG2    35     1.82851   110.24406   -63.62951
   30    27 S   CT   _CA3    26     1.45456   122.91348   175.80801
   31    30 S   HC   HA31    27     1.09532   109.06327    28.41740
   32    30 S   HC   HA32    28     1.09483   107.17600   145.53451
   33    29 S   CT   _C17    36     1.86571   102.03837   159.60715
   34    33 S   Cl   Cl2_    37     1.81748   107.20341    64.83350
   35    33 S   Cl   Cl3_    38     1.81599   105.69703   176.30281
   36    30 S   CO3  _C3_    29     1.53007   113.34740   -94.76732
   37    36 S   O2Z  _O31    30     1.26387   115.62626   -36.56426
   38    36 S   O2Z  _O32    31     1.26381   114.81846   144.34436
   39    33 S   CT   _C10    39     1.57839   115.13586   -58.46526
   40    39 S   HC   _H3_    40     1.10050   103.24576    73.53668
   41    39 S   CA   _C9_    41     1.53785   117.31790   -38.97120
   42    39 S   CM   _C11    52     1.54650   115.57132  -173.27457
   43    41 S   CA   _C4_    42     1.40876   118.55097   135.46564
   44    43 S   HA   _H6_    43     1.08836   120.24190    -0.26319
   45    42 S   CM   _C12    53     1.35171   123.11988    81.47734
   46    45 S   HC   _H10    54     1.08436   121.73138     0.25641
   47    43 S   CA   _C5_    44     1.39597   121.31889   179.81655
   48    47 S   HA   _H7_    45     1.08652   119.38237   179.69868
   49    45 S   CM   _C13    55     1.44486   122.68163   179.48948
   50    49 S   HC   _H11    56     1.08506   117.21471  -168.07656
   51    47 S   CA   _C6_    46     1.39069   119.59058    -0.44013
   52    51 S   Cl   Cl4_    47     1.72103   119.76261   179.74131
   53    49 S   CM   _C14    57     1.33995   120.95958    14.56783
   54    53 S   Cl   Cl1_    58     1.72522   120.53959   176.30684
   55    51 S   CA   _C7_    48     1.39236   120.27110    -0.18238
   56    55 S   HA   _H8_    49     1.08722   120.75450  -179.95577
   57    53 S   CT   _C15    59     1.51041   121.11652    -1.63518
   58    57 S   HC   _H4_    60     1.09916   106.18220    94.87624
   59    41 S   CA   _C8_    50     1.40261   123.51979   -45.85249
   60    59 S   HA   _H9_    51     1.08458   121.32713     0.05234
   61    42 S   CT   _C16    61     1.54235   116.86950   -99.82258
   62    61 S   OM   _O33    62     1.32803   106.43881   -84.89898
   63    61 S   HC   _H5_    63     1.09834   107.14559    43.14569
   64    57 S   OH   _O34    64     1.43057   111.69454  -150.32350
   65    64 S   HO   _H12    65     0.97449   105.76193    92.08585
  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   7   5   4   3
  10   5   4   2   1   1  16   6  12  13   8   4   9   4   6   3
   7   3   5   3   8   4   3   2   6   5   1   1   4   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    59    42    45    61  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    43    44    47    55    59    60    42    45    46    49    57    61    62    63  
   41    43    59    42    45    61  
   43    44    47    48    51    55    56    59    60    42    45    61  
   45    46    49    50    53    57    58    61    62    63    64    43    59  
   44    47    48    51    52    55    59    60  
   47    48    51    59  
   46    49    50    53    54    57    61    62    63  
   49    50    53    61  
   48    51    52    55    56    59  
   51    52    55  
   50    53    54    57    58    61    64  
   53    54    57  
   52    55    56    59    60  
   55    56    59  
   54    57    58    61    62    63    64    65  
   57    58    61    64  
   56    59    60  
   59    60  
   58    61    62    63    64    65  
   61    62    63    64    65  
   60  
    0  
   62    63    64    65  
   63    64  
   64  
   65  
    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  -0.175000   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   0.150500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   35   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.183600   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   53   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   63   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   245.000  1.781
   33    35   245.000  1.781
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    42   317.000  1.510
   41    43   469.000  1.400
   41    59   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   300.000  1.725
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   42    45   549.000  1.340
   42    61   317.000  1.510
   45    46   340.000  1.080
   45    49   380.000  1.444
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   300.000  1.725
   53    57   317.000  1.510
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    64   320.000  1.410
   61    62   570.000  1.307
   61    63   340.000  1.090
   64    65   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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  110.65400
   29    33    35    85.00000  110.65400
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  112.17500
   33    39    42    70.00000  112.02700
   35    33    34    80.00000  110.42200
   39    33    34    69.00000  109.80000
   39    33    35    69.00000  109.80000
   39    41    43    70.00000  120.00000
   39    41    59    70.00000  120.00000
   39    42    45    70.00000  124.00000
   39    42    61    65.00000  117.92700
   41    39    40    35.00000  109.50000
   41    43    44    35.00000  120.00000
   41    43    47    63.00000  120.00000
   41    59    55    63.00000  120.00000
   41    59    60    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    52    75.00000  120.00000
   47    51    55    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    75.00000  120.00000
   55    59    60    35.00000  120.00000
   59    41    43    63.00000  120.00000
   59    55    56    35.00000  120.00000
   42    39    40    35.00000  109.50000
   42    39    41    70.00000  112.99600
   42    45    46    35.00000  120.00000
   42    45    49    70.00000  123.01800
   42    61    57    70.00000  112.02700
   42    61    62    85.00000  110.90400
   42    61    63    35.00000  109.50000
   45    49    50    35.00000  120.00000
   45    49    53    70.00000  123.01800
   49    45    46    35.00000  120.00000
   49    53    54    75.00000  121.50000
   49    53    57    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    57    58    35.00000  109.50000
   53    57    61    70.00000  112.02700
   53    57    64    90.00000  110.39200
   57    53    54    75.00000  111.02000
   57    61    62    50.00000  109.50000
   57    61    63    37.50000  110.70000
   57    64    65    55.00000  108.50000
   61    42    45    70.00000  124.00000
   61    57    58    37.50000  110.70000
   63    61    62    45.00000  125.66300
   64    57    58    35.00000  109.50000
   64    57    61    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    43   0.04150 -1.0 2.0
   33    39    41    59   0.04150 -1.0 2.0
   33    39    42    45   0.09850  1.0 1.0
   33    39    42    45   0.15250 -1.0 2.0
   33    39    42    45  -0.50650  1.0 3.0
   33    39    42    61   0.46850  1.0 1.0
   33    39    42    61   0.08550 -1.0 2.0
   33    39    42    61   0.09800  1.0 3.0
   34    33    39    40   0.27000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   34    33    39    42   0.56750  1.0 1.0
   34    33    39    42  -0.07550 -1.0 2.0
   34    33    39    42   0.20000  1.0 3.0
   35    33    39    40   0.27000  1.0 3.0
   35    33    39    41   0.56750  1.0 1.0
   35    33    39    41  -0.07550 -1.0 2.0
   35    33    39    41   0.20000  1.0 3.0
   35    33    39    42   0.56750  1.0 1.0
   35    33    39    42  -0.07550 -1.0 2.0
   35    33    39    42   0.20000  1.0 3.0
   39    41    43    44   3.62500 -1.0 2.0
   39    41    43    47   3.62500 -1.0 2.0
   39    41    59    55   3.62500 -1.0 2.0
   39    41    59    60   3.62500 -1.0 2.0
   39    42    45    46   7.00000 -1.0 2.0
   39    42    45    49   7.00000 -1.0 2.0
   39    42    61    57   0.46850  1.0 1.0
   39    42    61    57   0.08550 -1.0 2.0
   39    42    61    57   0.09800  1.0 3.0
   39    42    61    62   0.09700  1.0 1.0
   39    42    61    62   0.15600 -1.0 2.0
   39    42    61    62  -0.50800  1.0 3.0
   39    42    61    63   0.34800  1.0 3.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    59   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    39    42    61   0.34800  1.0 3.0
   41    39    42    45   1.44450  1.0 1.0
   41    39    42    45   0.06600 -1.0 2.0
   41    39    42    45   0.29250  1.0 3.0
   41    39    42    61   0.09700  1.0 1.0
   41    39    42    61   0.15600 -1.0 2.0
   41    39    42    61  -0.50800  1.0 3.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    51   3.62500 -1.0 2.0
   43    41    59    55   3.62500 -1.0 2.0
   43    41    59    60   3.62500 -1.0 2.0
   43    47    51    52   3.62500 -1.0 2.0
   43    47   -51    55   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    55    56   3.62500 -1.0 2.0
   47    51    55    59   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    55   -59    41   3.62500 -1.0 2.0
   51    55    59    60   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   56    55    59    41   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   59    41    43    44   3.62500 -1.0 2.0
   59    41   -43    47   3.62500 -1.0 2.0
   42    39    41    43   0.18050 -1.0 2.0
   42    39    41    59   0.18050 -1.0 2.0
   42    45    49    50  -0.18600  1.0 3.0
   42    45    49    53   0.28850  1.0 1.0
   42    45    49    53   2.61350 -1.0 2.0
   42    45    49    53   0.78400  1.0 3.0
   45    42    61    57   0.09850  1.0 1.0
   45    42    61    57   0.15250 -1.0 2.0
   45    42    61    57  -0.50650  1.0 3.0
   45    42    61    62   0.39000  1.0 1.0
   45    42    61    62  -0.05800 -1.0 2.0
   45    42    61    62  -0.55150  1.0 3.0
   45    42    61    63   0.00000  1.0 1.0
   45    49    53    54   7.00000 -1.0 2.0
   45    49   -53    57   7.00000 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    53  -0.18600  1.0 3.0
   49    53    57    58   0.00000  1.0 1.0
   49    53    57    61   0.09850  1.0 1.0
   49    53    57    61   0.15250 -1.0 2.0
   49    53    57    61  -0.50650  1.0 3.0
   49    53    57    64   0.67800  1.0 1.0
   49    53    57    64   0.47050 -1.0 2.0
   49    53    57    64  -0.62500  1.0 3.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    57   7.00000 -1.0 2.0
   53    57   -61    42   0.31000  1.0 1.0
   53    57   -61    42   0.14700 -1.0 2.0
   53    57   -61    42   0.07550  1.0 3.0
   53    57    61    62   0.61850  1.0 1.0
   53    57    61    62  -0.22750 -1.0 2.0
   53    57    61    62   0.15300  1.0 3.0
   53    57    61    63   0.15000  1.0 3.0
   53    57    64    65  -0.07800  1.0 1.0
   53    57    64    65  -0.21500 -1.0 2.0
   53    57    64    65  -0.03150  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    61   0.09700  1.0 1.0
   54    53    57    61   0.15600 -1.0 2.0
   54    53    57    61  -0.50800  1.0 3.0
   54    53    57    64   0.09700  1.0 1.0
   54    53    57    64   0.15600 -1.0 2.0
   54    53    57    64  -0.50800  1.0 3.0
   58    57    61    42   0.15000  1.0 3.0
   58    57    61    62   0.23400  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    64    65   0.19450  1.0 3.0
   61    42    45    46   7.00000 -1.0 2.0
   61    42   -45    49   7.00000 -1.0 2.0
   61    57    64    65  -0.11600  1.0 1.0
   61    57    64    65  -0.09450 -1.0 2.0
   61    57    64    65   0.21250  1.0 3.0
   64    57    61    42   1.05650  1.0 1.0
   64    57    61    42   0.15600 -1.0 2.0
   64    57    61    42   0.53150  1.0 3.0
   64    57    61    62   3.69350  1.0 1.0
   64    57    61    62  -1.82950 -1.0 2.0
   64    57    61    63   0.23400  1.0 3.0
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
   37    30    36    38  10.50000 -1.0 2.0
   43    59    41    39   4.00000 -1.0 2.0
   47    44    43    41   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   55    52    51    47   4.00000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   55    60    59    41   1.10000 -1.0 2.0
   39    61    42    45   1.10000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   45    50    49    53   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
END
