* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    121    190     353
    1     0 S   NP   _N1_     1    28.96132    93.32052   -22.84577
    2     1 S   H    _HN1     2     1.02829    19.80743   154.82938
    3     1 S   H    _H1_     3     1.02775    99.88372   -89.16451
    4     1 S   H    _H2_     4     1.02964    93.34603    20.09661
    5     1 S   CT   _CA1     5     1.50144   130.05903   140.37849
    6     5 S   HC   _HA1     6     1.09576   105.22313    64.43473
    7     5 S   CO3  _C1_     7     1.53795   112.38425   -55.70569
    8     7 S   O2Z  _O11     8     1.26359   115.01514   -42.71600
    9     7 S   O2Z  _O12     9     1.26246   114.91221   136.37771
   10     5 S   CT   _CB1    10     1.53073   107.37041  -177.70492
   11    10 S   HC   HB11    11     1.09823   109.26633   -50.86209
   12    10 S   HC   HB12    12     1.09831   110.39511    65.62640
   13    10 S   CT   _CG1    13     1.53027   112.79597  -172.04532
   14    13 S   HC   HG11    14     1.09592   110.33459   -63.40238
   15    13 S   HC   HG12    15     1.09633   110.14535    55.88207
   16    13 S   C    _CD1    16     1.51786   112.15051   176.07439
   17    16 S   O    _OE1    17     1.22737   123.21532    -7.98962
   18    16 S   N    _N2_    18     1.38652   111.81639   172.49423
   19    18 S   H    _HN2    19     1.01588   119.14967     1.66154
   20    18 S   CT1  _CA2    20     1.46034   123.11174  -178.19073
   21    20 S   HC   _HA2    21     1.09550   109.23521    -9.21448
   22    20 S   C    _C2_    22     1.53379   108.93410  -124.31921
   23    22 S   O    _O2_    23     1.23033   122.10925  -147.27705
   24    20 S   CT   _CB2    32     1.53450   111.75096   113.03286
   25    24 S   HC   HB21    33     1.09679   109.31970    63.78840
   26    24 S   HC   HB22    34     1.09464   110.87925  -179.49255
   27    22 S   N    _N3_    24     1.38471   113.47625    40.43477
   28    27 S   H    _HN3    25     1.01512   118.96790    -0.84627
   29    24 S   S    _SG2    35     1.83059   114.97500   -55.38800
   30    27 S   CT   _CA3    26     1.45427   123.25292   174.33870
   31    30 S   HC   HA31    27     1.09536   108.99798    29.10870
   32    30 S   HC   HA32    28     1.09486   107.19506   146.13281
   33    29 S   CT   _C6_    36     1.83506   101.06191   -66.64188
   34    33 S   HC   _H4_    37     1.09332   109.50532    47.43148
   35    30 S   CO3  _C3_    29     1.52964   113.24773   -94.14423
   36    35 S   O2Z  _O31    30     1.26392   115.50154   -41.63976
   37    35 S   O2Z  _O32    31     1.26366   114.91290   139.24640
   38    33 S   CO4  _C7_    38     1.51877   106.77020   161.49635
   39    38 S   O    _O34    39     1.23220   120.87783   -93.01851
   40    38 S   CM   _C8_    40     1.49643   118.86094    84.69386
   41    40 S   CM   _C9_    41     1.33982   119.44224    16.16635
   42    41 S   HC   _H8_    42     1.08623   121.57489  -178.19160
   43    40 S   CM   _C11    52     1.45352   118.68837  -162.00455
   44    41 S   CO4  _C10    43     1.48041   122.75355     2.16139
   45    44 S   O    _O35    44     1.23076   119.18909  -178.30130
   46    43 S   CM   _C12    53     1.34134   122.91462  -119.74933
   47    46 S   HC   _H9_    54     1.08327   123.77531    -0.25564
   48    43 S   CO4  _C19    65     1.48983   119.91341    59.84266
   49    48 S   O    _O37    66     1.22447   122.42629     4.05623
   50    33 S   CT   _C5_    45     1.52550   112.72258   -75.53660
   51    50 S   HC   _H3_    46     1.09656   111.74777    44.69974
   52    46 S   OS   _O36    55     1.37364   126.87187   179.12486
   53    50 S   OS   _O33    47     1.43214   110.22806   167.11605
   54    52 S   CA   _C13    56     1.37151   117.64132    -2.09265
   55    53 S   CT   _C4_    48     1.42234   112.81443   -89.96447
   56    55 S   HC   _H5_    49     1.09326   108.24037   178.13282
   57    55 S   HC   _H6_    50     1.09354   111.08955    59.02908
   58    55 S   HC   _H7_    51     1.09423   110.30222   -63.32695
   59    54 S   CA   _C14    57     1.39467   117.22650  -177.92727
   60    59 S   HA   _H10    58     1.08653   120.40174     0.04846
   61    59 S   CA   _C15    59     1.39317   119.35414   180.00000
   62    61 S   CA   _C16    60     1.39463   120.93844     0.04846
   63    62 S   HA   _H11    61     1.08622   120.95142  -179.96574
   64    61 S   OH   _O38    67     1.36653   118.10001  -179.94405
   65    64 S   HO   _H13    68     0.97249   108.60234   179.77445
   66    62 S   CA   _C17    62     1.39557   119.59588     0.03956
   67    66 S   HA   _H12    63     1.08689   119.21015  -179.97202
   68    54 S   CA   _C18    64     1.39475   122.67788     2.16736
  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   9   5   4   3
  12   7   2   1   1  11   4  12   9   4   9   5   3   7   3   8
   3   6   2   6   4   8   3   2   1   1   8   4   7   6   4   2
   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    50    51    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    50    51    53    55    43  
   38    39    40    44    50    51    53  
   36    37  
   37  
    0  
   39    40    41    42    44    50    51    53    43    46    48  
   40    41    50    43  
   41    42    44    45    50    43    46    47    52    68    48    49  
   42    44    45    50    51    53    43    46    48  
   44    45    50    43  
   46    47    52    54    66    68    48    49    44  
   45    50    51    53    55  
   50    51    53  
   47    52    54    59    68    48    49  
   52    54    48  
   49    52    54    59    62    66    67    68  
   54    66    68  
   51    53    55    56    57    58  
   53    55  
   54    59    60    61    66    68  
   55    56    57    58  
   59    60    61    62    66    67    68    64  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    66    68    64    65  
   61    62    68    64  
   62    63    66    67    68    64    65  
   63    66    67    68    64    65  
   66    67    68    64  
   65    66  
    0  
   67    68  
   68  
    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   0.470000   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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    50   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    43   380.000  1.444
   41    42   340.000  1.080
   41    44   320.000  1.462
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   340.000  1.090
   50    53   320.000  1.410
   53    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   43    46   549.000  1.340
   43    48   320.000  1.462
   46    47   340.000  1.080
   46    52   440.000  1.360
   52    54   450.000  1.364
   54    59   469.000  1.400
   54    68   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    48   310.000  1.470
   48    49   570.000  1.229
   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    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    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    50    44    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    53    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    43    60.00000  124.00000
   40    38    39    80.00000  123.72100
   40    41    42    35.00000  120.00000
   40    41    44    65.00000  118.96000
   40    43    46    60.00000  124.00000
   40    43    48    60.00000  124.00000
   41    44    45    80.00000  123.72100
   41    44    50    65.00000  118.62400
   44    41    42    40.00000  117.72500
   44    50    51    35.00000  109.50000
   44    50    53    90.00000  108.74100
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    45    80.00000  120.40000
   50    53    55    60.00000  109.50000
   53    50    51    35.00000  109.50000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   43    40    41    60.00000  124.00000
   43    46    47    35.00000  120.00000
   43    46    52    80.00000  120.01400
   43    48    68    65.00000  117.02400
   43    48    49    80.00000  123.72100
   46    52    54    90.00000  114.30300
   52    46    47    55.00000  109.52600
   52    54    59    70.00000  120.00000
   52    54    68    70.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    61    63.00000  120.00000
   54    68    66    63.00000  120.00000
   54    68    48    60.00000  119.52600
   59    61    62    63.00000  120.00000
   59    61    64    70.00000  120.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    48    60.00000  119.52600
   68    54    59    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    48    49    75.00000  123.78400
   48    43    46    65.00000  118.96000
   64    61    62    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    43  -0.33500  1.0 1.0
   33    38    40    43   1.06600 -1.0 2.0
   33    38    40    43  -0.14000  1.0 3.0
   33    50    53    55   0.06250  1.0 1.0
   33    50    53    55  -0.01100 -1.0 2.0
   33    50    53    55   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    50    44  -0.11250  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    53   0.23400  1.0 3.0
   38    33    50    44   0.11950  1.0 1.0
   38    33    50    44   0.20300 -1.0 2.0
   38    33    50    44  -0.70800  1.0 3.0
   38    33    50    51  -0.11250  1.0 3.0
   38    33    50    53  -0.09450  1.0 1.0
   38    33    50    53  -1.12950 -1.0 2.0
   38    33    50    53   0.54000  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    44   7.00000 -1.0 2.0
   38    40    43    46  -0.18600  1.0 3.0
   38    40    43    48   1.08500 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    43   1.00000 -1.0 2.0
   40    41    44    45   1.00000 -1.0 2.0
   40    41    44    50  -0.33500  1.0 1.0
   40    41    44    50   1.06600 -1.0 2.0
   40    41    44    50  -0.14000  1.0 3.0
   40    43    46    47   7.00000 -1.0 2.0
   40    43    46    52   7.00000 -1.0 2.0
   40    43    48    68  -1.65800  1.0 1.0
   40    43    48    68   0.77650 -1.0 2.0
   40    43    48    49   1.00000 -1.0 2.0
   41    40    43    46   0.28850  1.0 1.0
   41    40    43    46   2.61350 -1.0 2.0
   41    40    43    46   0.78400  1.0 3.0
   41    40    43    48  -0.18600  1.0 3.0
   41    44   -50    33   0.65300  1.0 1.0
   41    44   -50    33  -0.03850 -1.0 2.0
   41    44   -50    33   0.33900  1.0 3.0
   41    44    50    51   0.00000  1.0 1.0
   41    44    50    53   0.65300  1.0 1.0
   41    44    50    53  -0.03850 -1.0 2.0
   41    44    50    53   0.33900  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    50   0.04550  1.0 1.0
   42    41    44    50   0.83000 -1.0 2.0
   42    41    44    50  -0.04000  1.0 3.0
   44    50    53    55  -1.11000  1.0 1.0
   44    50    53    55   0.50250 -1.0 2.0
   44    50    53    55   0.47450  1.0 3.0
   45    44    50    33   0.30150 -1.0 2.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    53   0.30150 -1.0 2.0
   50    33    38    39   0.30150 -1.0 2.0
   50    33   -38    40   0.65300  1.0 1.0
   50    33   -38    40  -0.03850 -1.0 2.0
   50    33   -38    40   0.33900  1.0 3.0
   50    53    55    56   0.37050  1.0 3.0
   50    53    55    57   0.37050  1.0 3.0
   50    53    55    58   0.37050  1.0 3.0
   51    50    53    55   0.37050  1.0 3.0
   43    40    41    42   7.00000 -1.0 2.0
   43    40    41    44   7.00000 -1.0 2.0
   43    46    52    54   2.00000 -1.0 2.0
   46    43    48    68  -1.65800  1.0 1.0
   46    43    48    68   0.77650 -1.0 2.0
   46    43    48    49   1.00000 -1.0 2.0
   46    52    54    59   0.00000  1.0 1.0
   46    52   -54    68   0.00000  1.0 1.0
   47    46    52    54   0.50000 -1.0 2.0
   52    54    59    60   3.62500 -1.0 2.0
   52    54    59    61   3.62500 -1.0 2.0
   52    54    68    66   3.62500 -1.0 2.0
   52    54    68    48   3.62500 -1.0 2.0
   54    59    61    62   3.62500 -1.0 2.0
   54    59    61    64   3.62500 -1.0 2.0
   54    68   -48    43  -0.11500  1.0 1.0
   54    68   -48    43   1.10450 -1.0 2.0
   54    68   -48    43  -0.48050  1.0 3.0
   54    68    48    49   1.05000 -1.0 2.0
   59    54    68    66   3.62500 -1.0 2.0
   59    54    68    48   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61   -62    66   3.62500 -1.0 2.0
   59    61    64    65   0.84100 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   61    62    66    68   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66   -68    54   3.62500 -1.0 2.0
   62    66    68    48   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    68   3.62500 -1.0 2.0
   66    68    48    43  -0.11500  1.0 1.0
   66    68    48    43   1.10450 -1.0 2.0
   66    68    48    43  -0.48050  1.0 3.0
   66    68    48    49   1.05000 -1.0 2.0
   67    66    68    54   3.62500 -1.0 2.0
   67    66    68    48   3.62500 -1.0 2.0
   68    54    59    60   3.62500 -1.0 2.0
   68    54   -59    61   3.62500 -1.0 2.0
   48    43    46    47   7.00000 -1.0 2.0
   48    43   -46    52   7.00000 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -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    40    38    39  10.50000 -1.0 2.0
   38    43    40    41   1.10000 -1.0 2.0
   44    42    41    40   1.10000 -1.0 2.0
   41    50    44    45  10.50000 -1.0 2.0
   40    48    43    46   1.10000 -1.0 2.0
   52    47    46    43   1.10000 -1.0 2.0
   59    68    54    52   4.00000 -1.0 2.0
   61    60    59    54   1.10000 -1.0 2.0
   62    64    61    59   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   66    48    68    54   4.00000 -1.0 2.0
   43    68    48    49  10.50000 -1.0 2.0
END
