* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    121    190     353
    1     0 S   NP   _N1_     1    29.82840    92.20677   -17.01250
    2     1 S   H    _HN1     2     1.02776    79.03438   -53.93502
    3     1 S   H    _H1_     3     1.02948   138.17234    51.49308
    4     1 S   H    _H2_     4     1.02841    36.00706    89.03419
    5     1 S   CT   _CA1     5     1.50188   103.64351  -164.47539
    6     5 S   HC   _HA1     6     1.09548   105.18390    22.31486
    7     5 S   CO3  _C1_     7     1.53801   112.37755   -98.06107
    8     7 S   O2Z  _O11     8     1.26423   114.92424   -37.68600
    9     7 S   O2Z  _O12     9     1.26206   115.02770   141.30485
   10     5 S   CT   _CB1    10     1.53022   107.46204   140.68579
   11    10 S   HC   HB11    11     1.09846   109.75263   -44.60370
   12    10 S   HC   HB12    12     1.09821   110.28708    71.78708
   13    10 S   CT   _CG1    13     1.53093   112.74750  -165.43041
   14    13 S   HC   HG11    14     1.09534   111.30422   -62.91691
   15    13 S   HC   HG12    15     1.09588   110.77983    56.43506
   16    13 S   C    _CD1    16     1.51464   109.73693   175.82557
   17    16 S   O    _OE1    17     1.22823   121.88737   -93.77128
   18    16 S   N    _N2_    18     1.38110   112.67970    83.75029
   19    18 S   H    _HN2    19     1.01807   119.03392     7.12161
   20    18 S   CT1  _CA2    20     1.45772   123.47395  -175.45317
   21    20 S   HC   _HA2    21     1.09729   108.70288    25.11605
   22    20 S   C    _C2_    22     1.52812   107.68545   -92.47818
   23    22 S   O    _O2_    23     1.22928   122.98131   -27.02024
   24    20 S   CT   _CB2    32     1.53359   111.47252   147.65384
   25    24 S   HC   HB21    33     1.09406   109.46297    58.61017
   26    24 S   HC   HB22    34     1.09505   110.78770   177.22019
   27    22 S   N    _N3_    24     1.38636   112.27942   155.83555
   28    27 S   H    _HN3    25     1.01490   119.69761     0.83345
   29    24 S   S    _SG2    35     1.82841   110.61557   -62.73651
   30    27 S   CT   _CA3    26     1.45457   122.93508   175.24206
   31    30 S   HC   HA31    27     1.09533   109.03488    28.41798
   32    30 S   HC   HA32    28     1.09481   107.12752   145.58465
   33    29 S   CT   _C6_    36     1.83220   100.30982   163.07763
   34    33 S   HC   _H4_    37     1.09515   108.77058    48.64799
   35    30 S   CO3  _C3_    29     1.53070   113.64733   -94.60996
   36    35 S   O2Z  _O31    30     1.26374   115.87108   -29.00675
   37    35 S   O2Z  _O32    31     1.26424   114.64138   151.90114
   38    33 S   CO4  _C7_    38     1.51683   109.45480   -69.41782
   39    38 S   O    _O34    39     1.23136   121.13559   102.14405
   40    38 S   CM   _C8_    40     1.49671   118.49987   -76.81009
   41    40 S   CM   _C9_    41     1.34063   118.75944   -20.67109
   42    41 S   HC   _H8_    42     1.08622   121.59303   178.52236
   43    40 S   CM   _C11    52     1.45402   119.00827   157.86260
   44    41 S   CO4  _C10    43     1.48292   122.70036    -2.04133
   45    44 S   O    _O35    44     1.23069   119.19632  -179.58129
   46    43 S   CM   _C12    53     1.34161   122.93244   123.46296
   47    46 S   HC   _H9_    54     1.08324   123.78793     0.10087
   48    43 S   CO4  _C19    65     1.48995   120.06401   -56.15121
   49    48 S   O    _O37    66     1.22444   122.43315    -2.42842
   50    33 S   CT   _C5_    45     1.52802   110.30891   169.19697
   51    50 S   HC   _H3_    46     1.09831   111.23850   -46.41203
   52    46 S   OS   _O36    55     1.37362   126.96253  -179.42427
   53    50 S   OS   _O33    47     1.43111   110.50318  -169.09741
   54    52 S   CA   _C13    56     1.37125   117.66419     0.87200
   55    53 S   CT   _C4_    48     1.42169   112.90384    90.13356
   56    55 S   HC   _H5_    49     1.09330   108.24560  -178.43165
   57    55 S   HC   _H6_    50     1.09423   110.33308    63.02368
   58    55 S   HC   _H7_    51     1.09346   111.04611   -59.37751
   59    54 S   CA   _C14    57     1.39453   117.25046   179.40160
   60    59 S   HA   _H10    58     1.08643   120.39603    -0.05234
   61    59 S   CA   _C15    59     1.39311   119.35108   179.76761
   62    61 S   CA   _C16    60     1.39458   120.94171     0.07402
   63    62 S   HA   _H11    61     1.08609   120.96864  -179.76261
   64    61 S   OH   _O38    67     1.36665   118.10844  -179.87333
   65    64 S   HO   _H13    68     0.97244   108.53018   178.94242
   66    62 S   CA   _C17    62     1.39530   119.59039     0.01978
   67    66 S   HA   _H12    63     1.08670   119.19707  -179.58551
   68    54 S   CA   _C18    64     1.39424   122.66448    -0.73966
  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
