* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    115    174     336
    1     0 S   NP   _N1_     1    31.55019    89.81199   -22.34751
    2     1 S   H    _HN1     2     1.03279    92.69398    98.23754
    3     1 S   H    _H1_     3     1.02678    29.75323   -23.52533
    4     1 S   H    _H2_     4     1.03149   137.95399   -19.82761
    5     1 S   CT   _CA1     5     1.50136    94.75150  -150.77617
    6     5 S   HC   _HA1     6     1.09570   105.30169    84.79772
    7     5 S   CO3  _C1_     7     1.53639   112.93093   -35.67553
    8     7 S   O2Z  _O11     8     1.26326   115.28933   -45.05763
    9     7 S   O2Z  _O12     9     1.26304   114.87874   134.26087
   10     5 S   CT   _CB1    10     1.52741   106.83152  -157.65161
   11    10 S   HC   HB11    11     1.09799   108.74798   -54.38660
   12    10 S   HC   HB12    12     1.09775   110.00737    61.56712
   13    10 S   CT   _CG1    13     1.52958   114.07230  -175.67944
   14    13 S   HC   HG11    14     1.09539   111.28987   -74.18422
   15    13 S   HC   HG12    15     1.09576   110.83160    45.86337
   16    13 S   C    _CD1    16     1.51389   109.34367   164.96552
   17    16 S   O    _OE1    17     1.22850   121.88192  -107.73550
   18    16 S   N    _N2_    18     1.38568   113.14727    70.23640
   19    18 S   H    _HN2    19     1.01601   119.53767     5.18610
   20    18 S   CT1  _CA2    20     1.45622   121.73432  -168.43089
   21    20 S   HC   _HA2    21     1.09607   107.78916    35.67235
   22    20 S   C    _C2_    22     1.53139   110.60556   -80.60092
   23    22 S   O    _O2_    23     1.23133   121.03722   155.62315
   24    20 S   CT   _CB2    32     1.53343   112.65892   158.02828
   25    24 S   HC   HB21    33     1.09707   109.44948    72.03659
   26    24 S   HC   HB22    34     1.09580   109.80744  -172.61924
   27    22 S   N    _N3_    24     1.38164   114.45563   -32.07305
   28    27 S   H    _HN3    25     1.01634   119.50414     6.18510
   29    24 S   S    _SG2    35     1.83343   117.96927   -48.06165
   30    27 S   CT   _CA3    26     1.45280   122.91939  -176.39793
   31    30 S   HC   HA31    27     1.09560   107.60454   -60.33620
   32    30 S   HC   HA32    28     1.09563   107.82283    56.00145
   33    29 S   CT   _C12    36     1.83565   103.00117   -43.47071
   34    33 S   HC   _H3_    37     1.08869   105.20292    63.47847
   35    30 S   CO3  _C3_    29     1.52885   114.28171   177.93181
   36    35 S   O2Z  _O31    30     1.26336   116.07838     0.42290
   37    35 S   O2Z  _O32    31     1.26439   114.40748  -179.55325
   38    33 S   CO4  _C11    38     1.53104   112.61957   -55.99275
   39    38 S   O    _O35    39     1.23021   123.23456   -19.11244
   40    33 S   CM   _C13    58     1.51722   108.80997  -179.13069
   41    38 S   CA   _C9_    40     1.49687   118.85526   163.98526
   42    40 S   CM   _C15    59     1.34788   124.28885    78.43355
   43    42 S   HC   _H10    60     1.08892   116.95941    -1.88378
   44    40 S   CO3  _C14    67     1.53762   114.70992  -101.81505
   45    44 S   O2Z  _O36    68     1.26550   115.21598   -79.56735
   46    44 S   O2Z  _O37    69     1.26511   115.56206    96.61961
   47    41 S   CA   _C8_    41     1.40131   120.37023   -33.28364
   48    47 S   HA   _H8_    42     1.08551   120.61283    -1.26052
   49    42 S   CM   _C16    61     1.44136   129.54353   178.63212
   50    47 S   CA   _C7_    43     1.40484   121.27554   179.69868
   51    49 S   CMA  _C17    62     1.52145   123.79142   168.17720
   52    51 S   OM   _O39    63     1.26382   122.43107   -10.87370
   53    51 S   OM   _O38    64     1.26535   119.83170   169.73732
   54    49 S   OH   _O40    65     1.37883   118.10009   -17.79922
   55    54 S   HO   _H11    66     0.97519   104.97197  -176.61014
   56    50 S   CA   _C6_    44     1.40504   118.64084     0.58249
   57    56 S   HA   _H7_    45     1.08624   118.42196  -179.98022
   58    50 S   CO3  _C18    55     1.51194   120.63061  -179.43110
   59    58 S   O2Z  _O42    56     1.27113   117.24420  -175.58794
   60    58 S   O2Z  _O41    57     1.27103   117.41385     4.41681
   61    56 S   CA   _C5_    46     1.39944   121.09286     0.07133
   62    41 S   CA   _C10    47     1.40393   120.69766   147.46004
   63    61 S   OS   _O33    50     1.37272   124.83212   179.74359
   64    62 S   OH   _O34    48     1.37362   122.17126    -0.68842
   65    64 S   HO   _H9_    49     0.97321   109.17435     2.71325
   66    63 S   CT   _C4_    51     1.42202   117.30458     1.07174
   67    66 S   HC   _H4_    52     1.09432   107.73056   179.42189
   68    66 S   HC   _H5_    53     1.09498   111.17759    61.72163
   69    66 S   HC   _H6_    54     1.09494   111.13720   -62.90496
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  11   4   9  10  10   4   3   1   1  10   4
   5   8   4   2   1   1   1   9   4   3   1   1   8   4   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    47    62    40    42    43    49    44    45    46  
   38    39    41    40    42    44  
   36    37  
   37  
    0  
   39    41    47    48    50    61    62    64    40    42    44  
   41    47    62    40  
   42    43    49    51    54    44    45    46    41  
   47    48    50    56    61    62    64    65    63    58  
   43    49    51    52    53    54    55    44    45    46  
   49    51    54    44  
   45    46    49  
   46  
    0  
   48    50    56    57    61    62    64    58    59    60  
   50    56    62    58  
   51    52    53    54    55  
   56    57    61    62    63    58    59    60  
   52    53    54    55  
   53    54  
   54  
   55  
    0  
   57    61    62    64    63    66    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    64    65    63    66    67    68    69  
   64    65    63    66  
   66    67    68    69    64  
   65  
    0  
   67    68    69  
   68    69  
   69  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   54   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   317.000  1.510
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    47   469.000  1.400
   41    62   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    56   469.000  1.400
   50    58   400.000  1.490
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   450.000  1.364
   64    65   553.000  0.945
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   58    59   656.000  1.250
   58    60   656.000  1.250
   40    42   549.000  1.340
   40    44   230.000  1.545
   42    43   340.000  1.080
   42    49   380.000  1.444
   49    51   465.000  1.376
   49    54   510.000  1.338
   51    52   745.000  1.250
   51    53   745.000  1.250
   54    55   553.000  0.945
   44    45   656.000  1.250
   44    46   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    40    42    70.00000  124.00000
   33    40    44    65.00000  117.04000
   38    33    34    35.00000  109.50000
   38    41    47    60.00000  119.52600
   38    41    62    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    47    48    35.00000  120.00000
   41    47    50    63.00000  120.00000
   41    62    61    63.00000  120.00000
   41    62    64    70.00000  120.00000
   47    50    56    63.00000  120.00000
   47    50    58    85.00000  120.00000
   50    47    48    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    61    63.00000  120.00000
   50    58    59    80.00000  120.40000
   50    58    60    80.00000  120.40000
   56    61    62    63.00000  120.00000
   56    61    63    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    64    70.00000  120.00000
   61    63    66    75.00000  111.00000
   62    41    47    63.00000  120.00000
   62    64    65    35.00000  113.00000
   63    61    62    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   58    50    56    85.00000  120.00000
   60    58    59    80.00000  126.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    42    43    35.00000  120.00000
   40    42    49    70.00000  123.01800
   40    44    45    85.00000  113.83300
   40    44    46    85.00000  113.83300
   42    49    51    70.00000  117.34000
   42    49    54    80.00000  121.38400
   49    42    43    35.00000  120.00000
   49    51    52    65.00000  137.10300
   49    51    53    65.00000  137.10300
   49    54    55    70.00000  107.45700
   53    51    52    65.00000  121.00000
   54    49    51    80.00000  121.38400
   44    40    42    55.00000  124.75400
   46    44    45    80.00000  126.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    40    42   0.42700  1.0 1.0
   29    33    40    42  -0.70350 -1.0 2.0
   29    33    40    42  -0.43150  1.0 3.0
   29    33    40    44   0.09700  1.0 1.0
   29    33    40    44   0.15600 -1.0 2.0
   29    33    40    44  -0.50800  1.0 3.0
   33    38    41    47   2.26350  1.0 1.0
   33    38    41    47   0.76750 -1.0 2.0
   33    38    41    47   0.22500  1.0 3.0
   33    38    41    62   2.26350  1.0 1.0
   33    38    41    62   0.76750 -1.0 2.0
   33    38    41    62   0.22500  1.0 3.0
   33    40    42    43   7.00000 -1.0 2.0
   33    40    42    49   7.00000 -1.0 2.0
   33    40    44    45  -0.64400  1.0 1.0
   33    40    44    45   0.26850 -1.0 2.0
   33    40    44    46  -0.64400  1.0 1.0
   33    40    44    46   0.26850 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    42  -0.51250  1.0 1.0
   38    33    40    42  -0.88800 -1.0 2.0
   38    33    40    42   0.08850  1.0 3.0
   38    33    40    44   0.09700  1.0 1.0
   38    33    40    44   0.15600 -1.0 2.0
   38    33    40    44  -0.50800  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    50   3.62500 -1.0 2.0
   38    41    62    61   3.62500 -1.0 2.0
   38    41    62    64   3.62500 -1.0 2.0
   39    38    41    47   1.05000 -1.0 2.0
   39    38    41    62   1.05000 -1.0 2.0
   41    47    50    56   3.62500 -1.0 2.0
   41    47    50    58   3.62500 -1.0 2.0
   41    62    64    65   0.84100 -1.0 2.0
   47    41    62    61   3.62500 -1.0 2.0
   47    41    62    64   3.62500 -1.0 2.0
   47    50    56    57   3.62500 -1.0 2.0
   47    50   -56    61   3.62500 -1.0 2.0
   47    50    58    59   1.05000 -1.0 2.0
   47    50    58    60   1.05000 -1.0 2.0
   48    47    50    56   3.62500 -1.0 2.0
   48    47    50    58   3.62500 -1.0 2.0
   50    56    61    62   3.62500 -1.0 2.0
   50    56    61    63   3.62500 -1.0 2.0
   56    50    58    59   1.05000 -1.0 2.0
   56    50    58    60   1.05000 -1.0 2.0
   56    61   -62    41   3.62500 -1.0 2.0
   56    61    62    64   3.62500 -1.0 2.0
   56    61    63    66   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    62    64    65   0.84100 -1.0 2.0
   61    63    66    67   0.08050  1.0 3.0
   61    63    66    68   0.08050  1.0 3.0
   61    63    66    69   0.08050  1.0 3.0
   62    41    47    48   3.62500 -1.0 2.0
   62    41   -47    50   3.62500 -1.0 2.0
   62    61    63    66   1.63200 -1.0 2.0
   63    61    62    41   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   58    50    56    61   3.62500 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    41   0.65300  1.0 1.0
   40    33    38    41  -0.03850 -1.0 2.0
   40    33    38    41   0.33900  1.0 3.0
   40    42    49    51   0.28850  1.0 1.0
   40    42    49    51   2.61350 -1.0 2.0
   40    42    49    51   0.78400  1.0 3.0
   40    42    49    54   0.50950  1.0 1.0
   40    42    49    54   0.56650 -1.0 2.0
   40    42    49    54   0.34050  1.0 3.0
   42    40    44    45  -0.04000 -1.0 2.0
   42    40    44    45  -0.29050  1.0 3.0
   42    40    44    46  -0.04000 -1.0 2.0
   42    40    44    46  -0.29050  1.0 3.0
   42    49    51    52   7.00000 -1.0 2.0
   42    49    51    53   7.00000 -1.0 2.0
   42    49    54    55  -0.66100  1.0 1.0
   42    49    54    55   1.20850 -1.0 2.0
   42    49    54    55  -0.36000  1.0 3.0
   43    42    49    51  -0.18600  1.0 3.0
   43    42    49    54   0.00000  1.0 1.0
   51    49    54    55  -0.66100  1.0 1.0
   51    49    54    55   1.20850 -1.0 2.0
   51    49    54    55  -0.36000  1.0 3.0
   54    49    51    52   7.00000 -1.0 2.0
   54    49    51    53   7.00000 -1.0 2.0
   44    40    42    43   7.00000 -1.0 2.0
   44    40    42    49   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   47    62    41    38   4.00000 -1.0 2.0
   50    48    47    41   1.10000 -1.0 2.0
   56    58    50    47   4.00000 -1.0 2.0
   61    57    56    50   1.10000 -1.0 2.0
   62    63    61    56   4.00000 -1.0 2.0
   61    64    62    41   4.00000 -1.0 2.0
   59    50    58    60  10.50000 -1.0 2.0
   33    44    40    42  15.00000 -1.0 2.0
   49    43    42    40  15.00000 -1.0 2.0
   42    54    49    51  15.00000 -1.0 2.0
   52    53    51    49  15.00000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
