* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    116    182     342
    1     0 S   NP   _N1_     1    28.10291    96.61768   -22.91966
    2     1 S   H    _HN1     2     1.02777   101.79034  -102.84984
    3     1 S   H    _H1_     3     1.02958    75.51144     3.28932
    4     1 S   H    _H2_     4     1.02835    36.32065   152.91928
    5     1 S   CT   _CA1     5     1.50124   140.41476   107.90934
    6     5 S   HC   _HA1     6     1.09575   105.22156    85.78121
    7     5 S   CO3  _C1_     7     1.53789   112.36274   -34.42190
    8     7 S   O2Z  _O11     8     1.26364   114.99852   -44.05667
    9     7 S   O2Z  _O12     9     1.26236   114.93354   135.06521
   10     5 S   CT   _CB1    10     1.53098   107.42589  -156.30529
   11    10 S   HC   HB11    11     1.09826   109.34561   -50.53473
   12    10 S   HC   HB12    12     1.09816   110.42317    66.02657
   13    10 S   CT   _CG1    13     1.53013   112.65899  -171.60688
   14    13 S   HC   HG11    14     1.09596   110.48200   -64.09981
   15    13 S   HC   HG12    15     1.09656   109.92618    55.09454
   16    13 S   C    _CD1    16     1.51839   112.33234   175.47355
   17    16 S   O    _OE1    17     1.22746   123.28986    -0.13848
   18    16 S   N    _N2_    18     1.38547   111.68136   179.83929
   19    18 S   H    _HN2    19     1.01561   119.02364     4.69786
   20    18 S   CT1  _CA2    20     1.45881   122.95812   178.04415
   21    20 S   HC   _HA2    21     1.09720   108.96514    23.17933
   22    20 S   C    _C2_    22     1.52889   106.79419   -93.93218
   23    22 S   O    _O2_    23     1.23001   122.96154   -28.60136
   24    20 S   CT   _CB2    32     1.53120   112.15481   146.35688
   25    24 S   HC   HB21    33     1.09669   110.23284    54.81023
   26    24 S   HC   HB22    34     1.09521   110.14463   173.29320
   27    22 S   N    _N3_    24     1.38487   112.68523   154.00366
   28    27 S   H    _HN3    25     1.01665   120.37964    -1.25148
   29    24 S   S    _SG2    35     1.82463   111.06280   -66.08241
   30    27 S   CT   _CA3    26     1.45359   122.37091   178.79764
   31    30 S   HC   HA31    27     1.09568   107.59114   -60.52329
   32    30 S   HC   HA32    28     1.09571   107.79062    55.75974
   33    29 S   CM   _C14    36     1.75521    99.76128   171.41300
   34    30 S   CO3  _C3_    29     1.52871   114.45759   177.70373
   35    34 S   O2Z  _O31    30     1.26316   116.11095    -0.35277
   36    34 S   O2Z  _O32    31     1.26456   114.38422   179.67494
   37    33 S   CM   _C13    37     1.34681   117.71842  -113.07548
   38    37 S   HC   _H11    38     1.08669   121.69258    -2.69530
   39    37 S   CM   _C12    39     1.44366   122.32535   173.13056
   40    39 S   HC   _H10    40     1.08450   115.89525  -165.93419
   41    39 S   CM   _C11    41     1.34597   122.32235    15.38179
   42    41 S   CT   _C16    42     1.51866   118.90559     1.21386
   43    42 S   HC   _H5_    43     1.09730   110.14758  -148.63646
   44    41 S   CT   _C10    49     1.53471   124.04420   177.19216
   45    44 S   HC   _H3_    50     1.10298   105.38857  -166.25549
   46    33 S   CT   _C15    44     1.53656   122.03577    62.10951
   47    46 S   OM   _O34    45     1.32610   110.86365    42.05980
   48    46 S   HC   _H4_    46     1.10282   103.52371   -86.64208
   49    42 S   OH   _O33    47     1.43542   105.82376    96.76566
   50    49 S   HO   _H12    48     0.97456   105.52571  -155.30878
   51    44 S   CA   _C9_    51     1.53654   111.27548   -55.72769
   52    44 S   CT   _C17    62     1.56963   114.76746    81.20414
   53    52 S   Cl   Cl1_    63     1.80511   110.98929   179.74821
   54    52 S   Cl   Cl2_    64     1.79482   114.84046   -57.15884
   55    52 S   Cl   Cl3_    65     1.81322   110.19544    62.68947
   56    51 S   CA   _C4_    52     1.40907   118.40802   -86.58034
   57    56 S   HA   _H6_    53     1.08839   120.23294    -0.55953
   58    56 S   CA   _C5_    54     1.39651   121.34034   179.24619
   59    58 S   HA   _H7_    55     1.08654   119.40006   179.83687
   60    58 S   CA   _C6_    56     1.39076   119.59269    -0.37949
   61    60 S   Cl   Cl4_    57     1.72124   119.88958  -179.95154
   62    60 S   CA   _C7_    58     1.39200   120.23623    -0.24389
   63    62 S   HA   _H8_    59     1.08697   120.79105  -179.48795
   64    51 S   CA   _C8_    60     1.40223   123.71299    91.55566
   65    64 S   HA   _H9_    61     1.08365   121.56372     0.23323
  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   8   5   4   3
  11   2   1   1   9   4  10   3  16  10   6  14   7   4   2   1
   1   1  13   5   2   1   1   8   4   6   3   5   3   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    40    41    42    46    47    48    44  
   39    40    41    46  
   40    41    42    43    46    49    44    45    51    52  
   41    42    44  
   42    43    46    47    48    49    50    44    45    51    56    64    52    53    54    55  
   43    46    47    48    49    50    44    45    51    52  
   46    47    48    49    50    44  
   45    51    56    57    58    62    64    65    52    53    54    55    46    49  
   51    56    64    52    53    54    55  
   47    48    49    50  
   48    49  
   49  
   50  
    0  
   56    57    58    59    60    62    63    64    65    52    53    54    55  
   53    54    55    56    64  
   54    55  
   55  
    0  
   57    58    59    60    61    62    64    65  
   58    59    60    64  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65  
   62    63    64  
   63    64    65  
   64    65  
   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.313400   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   53   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   54   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   55   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   240.000  1.763
   33    37   549.000  1.340
   33    46   317.000  1.510
   37    38   340.000  1.080
   37    39   380.000  1.444
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   317.000  1.510
   41    44   317.000  1.510
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   320.000  1.410
   46    47   570.000  1.307
   46    48   340.000  1.090
   49    50   553.000  0.945
   44    45   340.000  1.090
   44    51   317.000  1.510
   44    52   268.000  1.529
   51    56   469.000  1.400
   51    64   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   300.000  1.725
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   52    53   245.000  1.781
   52    54   245.000  1.781
   52    55   245.000  1.781
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    46    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  123.01800
   33    46    42    70.00000  112.02700
   33    46    47    85.00000  110.90400
   33    46    48    35.00000  109.50000
   37    39    40    35.00000  120.00000
   37    39    41    70.00000  123.01800
   39    37    38    35.00000  120.00000
   39    41    42    70.00000  124.00000
   39    41    44    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    42    43    35.00000  109.50000
   41    42    46    70.00000  112.02700
   41    42    49    90.00000  110.39200
   41    44    45    35.00000  109.50000
   41    44    51    70.00000  112.99600
   41    44    52    70.00000  112.02700
   42    46    47    50.00000  109.50000
   42    46    48    37.50000  110.70000
   42    49    50    55.00000  108.50000
   46    33    37    70.00000  124.00000
   46    42    43    37.50000  110.70000
   48    46    47    45.00000  125.66300
   49    42    43    35.00000  109.50000
   49    42    46    50.00000  109.50000
   44    41    42    65.00000  117.92700
   44    51    56    70.00000  120.00000
   44    51    64    70.00000  120.00000
   44    52    53    69.00000  109.80000
   44    52    54    69.00000  109.80000
   44    52    55    69.00000  109.80000
   51    44    45    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    58    63.00000  120.00000
   51    64    62    63.00000  120.00000
   51    64    65    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    75.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    75.00000  120.00000
   62    64    65    35.00000  120.00000
   64    51    56    63.00000  120.00000
   64    62    63    35.00000  120.00000
   52    44    45    37.50000  110.70000
   52    44    51    70.00000  112.17500
   54    52    53    80.00000  110.42200
   55    52    53    80.00000  110.42200
   55    52    54    80.00000  110.42200
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    46   1.00000 -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   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    46    42   0.09700  1.0 1.0
   29    33    46    42   0.15600 -1.0 2.0
   29    33    46    42  -0.50800  1.0 3.0
   29    33    46    47   0.09700  1.0 1.0
   29    33    46    47   0.15600 -1.0 2.0
   29    33    46    47  -0.50800  1.0 3.0
   29    33    46    48   0.00000  1.0 1.0
   33    37    39    40  -0.18600  1.0 3.0
   33    37    39    41   0.28850  1.0 1.0
   33    37    39    41   2.61350 -1.0 2.0
   33    37    39    41   0.78400  1.0 3.0
   37    33    46    42   0.09850  1.0 1.0
   37    33    46    42   0.15250 -1.0 2.0
   37    33    46    42  -0.50650  1.0 3.0
   37    33    46    47   0.39000  1.0 1.0
   37    33    46    47  -0.05800 -1.0 2.0
   37    33    46    47  -0.55150  1.0 3.0
   37    33    46    48   0.00000  1.0 1.0
   37    39   -41    42   7.00000 -1.0 2.0
   37    39    41    44   7.00000 -1.0 2.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    41  -0.18600  1.0 3.0
   39    41    42    43   0.00000  1.0 1.0
   39    41    42    46   0.09850  1.0 1.0
   39    41    42    46   0.15250 -1.0 2.0
   39    41    42    46  -0.50650  1.0 3.0
   39    41    42    49   0.67800  1.0 1.0
   39    41    42    49   0.47050 -1.0 2.0
   39    41    42    49  -0.62500  1.0 3.0
   39    41    44    45   0.00000  1.0 1.0
   39    41    44    51   1.44450  1.0 1.0
   39    41    44    51   0.06600 -1.0 2.0
   39    41    44    51   0.29250  1.0 3.0
   39    41    44    52   0.09850  1.0 1.0
   39    41    44    52   0.15250 -1.0 2.0
   39    41    44    52  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    44   7.00000 -1.0 2.0
   41    42   -46    33   0.31000  1.0 1.0
   41    42   -46    33   0.14700 -1.0 2.0
   41    42   -46    33   0.07550  1.0 3.0
   41    42    46    47   0.61850  1.0 1.0
   41    42    46    47  -0.22750 -1.0 2.0
   41    42    46    47   0.15300  1.0 3.0
   41    42    46    48   0.15000  1.0 3.0
   41    42    49    50  -0.07800  1.0 1.0
   41    42    49    50  -0.21500 -1.0 2.0
   41    42    49    50  -0.03150  1.0 3.0
   41    44    51    56   0.18050 -1.0 2.0
   41    44    51    64   0.18050 -1.0 2.0
   41    44    52    53   0.56750  1.0 1.0
   41    44    52    53  -0.07550 -1.0 2.0
   41    44    52    53   0.20000  1.0 3.0
   41    44    52    54   0.56750  1.0 1.0
   41    44    52    54  -0.07550 -1.0 2.0
   41    44    52    54   0.20000  1.0 3.0
   41    44    52    55   0.56750  1.0 1.0
   41    44    52    55  -0.07550 -1.0 2.0
   41    44    52    55   0.20000  1.0 3.0
   42    41    44    45   0.34800  1.0 3.0
   42    41    44    51   0.09700  1.0 1.0
   42    41    44    51   0.15600 -1.0 2.0
   42    41    44    51  -0.50800  1.0 3.0
   42    41    44    52   0.46850  1.0 1.0
   42    41    44    52   0.08550 -1.0 2.0
   42    41    44    52   0.09800  1.0 3.0
   43    42    46    33   0.15000  1.0 3.0
   43    42    46    47   0.23400  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   46    33    37    38   7.00000 -1.0 2.0
   46    33   -37    39   7.00000 -1.0 2.0
   46    42    49    50  -0.11600  1.0 1.0
   46    42    49    50  -0.09450 -1.0 2.0
   46    42    49    50   0.21250  1.0 3.0
   49    42    46    33   1.05650  1.0 1.0
   49    42    46    33   0.15600 -1.0 2.0
   49    42    46    33   0.53150  1.0 3.0
   49    42    46    47   3.69350  1.0 1.0
   49    42    46    47  -1.82950 -1.0 2.0
   49    42    46    48   0.23400  1.0 3.0
   44    41    42    43   0.34800  1.0 3.0
   44    41    42    46   0.46850  1.0 1.0
   44    41    42    46   0.08550 -1.0 2.0
   44    41    42    46   0.09800  1.0 3.0
   44    41    42    49   0.18000  1.0 1.0
   44    41    42    49   0.16450 -1.0 2.0
   44    41    42    49   0.04450  1.0 3.0
   44    51    56    57   3.62500 -1.0 2.0
   44    51    56    58   3.62500 -1.0 2.0
   44    51    64    62   3.62500 -1.0 2.0
   44    51    64    65   3.62500 -1.0 2.0
   45    44    51    56   0.00000  1.0 1.0
   45    44    51    64   0.00000  1.0 1.0
   45    44    52    53   0.27000  1.0 3.0
   45    44    52    54   0.27000  1.0 3.0
   45    44    52    55   0.27000  1.0 3.0
   51    44    52    53   0.56750  1.0 1.0
   51    44    52    53  -0.07550 -1.0 2.0
   51    44    52    53   0.20000  1.0 3.0
   51    44    52    54   0.56750  1.0 1.0
   51    44    52    54  -0.07550 -1.0 2.0
   51    44    52    54   0.20000  1.0 3.0
   51    44    52    55   0.56750  1.0 1.0
   51    44    52    55  -0.07550 -1.0 2.0
   51    44    52    55   0.20000  1.0 3.0
   51    56    58    59   3.62500 -1.0 2.0
   51    56    58    60   3.62500 -1.0 2.0
   56    51    64    62   3.62500 -1.0 2.0
   56    51    64    65   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
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60    62    64   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   -64    51   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   63    62    64    51   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    51    56    57   3.62500 -1.0 2.0
   64    51   -56    58   3.62500 -1.0 2.0
   52    44    51    56   0.04150 -1.0 2.0
   52    44    51    64   0.04150 -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
   29    46    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   37    40    39    41   1.10000 -1.0 2.0
   42    44    41    39   1.10000 -1.0 2.0
   56    64    51    44   4.00000 -1.0 2.0
   58    57    56    51   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   4.00000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   62    65    64    51   1.10000 -1.0 2.0
END
