* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    217     387
    1     0 S   NP   _N1_     1    28.80583    90.95955   -20.24827
    2     1 S   H    _HN1     2     1.02958   105.98083    18.85676
    3     1 S   H    _H1_     3     1.02837    22.09289   114.61161
    4     1 S   H    _H2_     4     1.02777    87.84941   -89.64932
    5     1 S   CT   _CA1     5     1.50189   128.94262   153.06651
    6     5 S   HC   _HA1     6     1.09560   105.18257    44.90137
    7     5 S   CO3  _C1_     7     1.53813   112.59315   -75.21021
    8     7 S   O2Z  _O11     8     1.26373   114.98759   -33.95564
    9     7 S   O2Z  _O12     9     1.26200   115.09141   145.25521
   10     5 S   CT   _CB1    10     1.53080   107.37952   163.06034
   11    10 S   HC   HB11    11     1.09823   109.49056   -47.25643
   12    10 S   HC   HB12    12     1.09831   110.24382    69.31941
   13    10 S   CT   _CG1    13     1.53026   112.79950  -168.27519
   14    13 S   HC   HG11    14     1.09584   110.42258   -62.85025
   15    13 S   HC   HG12    15     1.09630   110.10350    56.52806
   16    13 S   C    _CD1    16     1.51772   112.25106   177.01627
   17    16 S   O    _OE1    17     1.22727   123.23495    -3.48695
   18    16 S   N    _N2_    18     1.38685   111.64129   176.16125
   19    18 S   H    _HN2    19     1.01575   119.08799     3.05563
   20    18 S   CT1  _CA2    20     1.46367   123.23579  -174.48374
   21    20 S   HC   _HA2    21     1.09728   109.33697   -12.21905
   22    20 S   C    _C2_    22     1.53307   108.70644  -128.25552
   23    22 S   O    _O2_    23     1.23014   122.18551  -146.89374
   24    20 S   CT   _CB2    32     1.53654   111.06703   109.47225
   25    24 S   HC   HB21    33     1.09418   108.95068    59.11978
   26    24 S   HC   HB22    34     1.09488   110.73702   177.98929
   27    22 S   N    _N3_    24     1.38490   113.37722    40.48403
   28    27 S   H    _HN3    25     1.01531   118.87348    -0.64255
   29    24 S   S    _SG2    35     1.82652   110.88652   -61.87056
   30    27 S   CT   _CA3    26     1.45446   123.50307   175.15249
   31    30 S   HC   HA31    27     1.09519   109.30102    23.12944
   32    30 S   HC   HA32    28     1.09497   107.10943   140.14175
   33    29 S   CT   _C22    36     1.84914   101.22888   170.69688
   34    33 S   HC   _H4_    37     1.09811   107.58750    58.73875
   35    30 S   CO3  _C3_    29     1.52917   113.05802  -100.39170
   36    35 S   O2Z  _O31    30     1.26405   115.38175   -45.10777
   37    35 S   O2Z  _O32    31     1.26351   114.99816   135.81572
   38    33 S   CO4  _C23    38     1.51537   109.05462   -58.62942
   39    38 S   O    _O36    39     1.23086   121.23619   105.18653
   40    38 S   CM   _C18    40     1.49867   117.76944   -73.03051
   41    40 S   CM   _C19    41     1.35191   119.03536   -16.59633
   42    41 S   CM   _C14    42     1.47196   118.47719   175.47948
   43    41 S   CO4  _C20    69     1.51456   120.37749   -13.83034
   44    43 S   O    _O35    70     1.23386   119.20904  -167.39564
   45    42 S   CO4  _C15    43     1.50184   112.84501    35.92788
   46    45 S   O    _O39    44     1.22216   124.71571   134.16146
   47    42 S   CM   _C12    50     1.35401   126.96956  -139.10960
   48    33 S   CT   _C21    71     1.54734   115.56742  -178.29636
   49    48 S   OM   _O37    72     1.32076   109.91483   -57.01571
   50    48 S   HC   _H3_    73     1.10317   105.94986   174.23755
   51    45 S   CM   _C16    45     1.48473   113.18063   -44.90313
   52    51 S   HC   _H7_    46     1.08270   118.40997  -155.35986
   53    47 S   CO4  _C13    51     1.49489   120.98992     4.78504
   54    53 S   O    _O34    52     1.22495   122.47834    33.96860
   55    40 S   CM   _C17    47     1.46608   121.29914   164.67839
   56    53 S   CA   _C8_    53     1.48215   117.01250  -148.84438
   57    55 S   OH   _O38    48     1.38172   119.04477   -13.38380
   58    57 S   HO   _H8_    49     0.97298   109.21614     4.94641
   59    56 S   CA   _C9_    54     1.40194   120.52930   -15.54552
   60    59 S   CA   _C4_    55     1.40135   120.53379   179.85329
   61    60 S   HA   _H5_    56     1.08692   120.64369   179.78060
   62    59 S   CO4  _C10    65     1.47504   121.03143    -1.53697
   63    62 S   O    _O33    66     1.22183   122.72719   177.89895
   64    60 S   CA   _C5_    57     1.39242   119.50649     0.26541
   65    47 S   CO4  _C11    67     1.48583   123.04773   179.76097
   66    65 S   O    _O40    68     1.21928   125.97250   -36.17087
   67    64 S   CA   _C6_    58     1.39025   120.79667     0.01978
   68    67 S   HA   _H6_    59     1.08683   120.19732  -180.00000
   69    64 S   OH   _O42    63     1.36631   121.05608   179.86152
   70    69 S   HO   _H10    64     0.97250   108.71313     0.25101
   71    56 S   CA   _C7_    60     1.40461   120.60765   164.74165
   72    71 S   OH   _O41    61     1.36970   123.44931    -0.53923
   73    72 S   HO   _H9_    62     0.97432   109.22083    -0.35991
  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
  11   7   2   1   1  11   4  12  14  15   7   3   8   4  10   2
   1   1   4   2  10   4   2  12   1   1  11  10   4   5   2   6
   1   1   6   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    43    44    48    49    50  
   38    39    40    43    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    51    55    57    43    48    49    50  
   40    41    55    48  
   41    42    45    51    52    55    57    58    47    43    44    48  
   42    45    46    51    55    57    47    53    65    43    44    48    49    50  
   45    46    51    52    55    47    53    54    56    62    65    66    43    44    48  
   44    48    49    50    45    47    55  
   48    49    50  
   46    51    52    55    57    47    53    65  
   51    52    55    47  
   53    54    56    59    71    62    63    65    66    51  
   49    50  
   50  
    0  
   52    55    57    58  
   55    57  
   54    56    59    60    67    71    72    62    65    66  
   56    59    71    65  
   57    58  
   59    60    61    64    67    68    71    72    73    62    63    65  
   58  
    0  
   60    61    64    67    71    72    69    62    63    65    66  
   61    64    67    68    71    69    70    62    63    65  
   64    67    69    62  
   63    65    66    64    71  
   65    66  
   67    68    71    72    69    70  
   66  
    0  
   68    71    72    73    69    70  
   71    72    69  
   70    71  
    0  
   72    73  
   73  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    48   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    55   380.000  1.444
   41    42   380.000  1.444
   41    43   320.000  1.462
   42    45   320.000  1.462
   42    47   549.000  1.340
   45    46   570.000  1.229
   45    51   320.000  1.462
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    57   510.000  1.338
   57    58   553.000  0.945
   47    53   320.000  1.462
   47    65   320.000  1.462
   53    54   570.000  1.229
   53    56   310.000  1.470
   56    59   469.000  1.400
   56    71   469.000  1.400
   59    60   469.000  1.400
   59    62   310.000  1.470
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   64    69   450.000  1.364
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   69    70   553.000  0.945
   62    63   570.000  1.229
   62    65   250.000  1.523
   65    66   570.000  1.229
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   570.000  1.307
   48    50   340.000  1.090
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    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    63.00000  111.10000
   33    48    49    50.00000  109.50000
   33    48    50    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    55    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    41    42    70.00000  123.01800
   40    41    43    65.00000  118.96000
   40    55    51    70.00000  123.01800
   40    55    57    80.00000  121.38400
   41    42    45    65.00000  118.96000
   41    42    47    70.00000  123.01800
   41    43    44    80.00000  123.72100
   41    43    48    65.00000  118.62400
   42    45    46    80.00000  123.72100
   42    45    51    65.00000  118.65900
   42    47    53    65.00000  118.96000
   42    47    65    65.00000  118.96000
   45    51    52    40.00000  117.72500
   45    51    55    65.00000  118.96000
   51    45    46    80.00000  123.72100
   51    55    57    80.00000  121.38400
   55    40    41    70.00000  123.01800
   55    51    52    35.00000  120.00000
   55    57    58    70.00000  107.45700
   47    42    45    65.00000  118.96000
   47    53    54    80.00000  123.72100
   47    53    56    65.00000  117.02400
   47    65    62    65.00000  116.00000
   47    65    66    80.00000  123.72100
   53    56    59    60.00000  119.52600
   53    56    71    60.00000  119.52600
   56    53    54    75.00000  123.78400
   56    59    60    63.00000  120.00000
   56    59    62    60.00000  119.52600
   56    71    67    63.00000  120.00000
   56    71    72    70.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    64    63.00000  120.00000
   59    62    63    75.00000  123.78400
   59    62    65    60.00000  117.28700
   60    64    67    63.00000  120.00000
   60    64    69    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   64    69    70    35.00000  113.00000
   67    71    72    70.00000  120.00000
   71    56    59    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  113.00000
   69    64    67    70.00000  120.00000
   62    59    60    60.00000  119.52600
   62    65    66    80.00000  119.30300
   65    47    53    65.00000  115.30000
   65    62    63    80.00000  119.30300
   43    41    42    65.00000  118.96000
   43    48    49    90.00000  108.74100
   43    48    50    35.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    43    44    80.00000  120.40000
   50    48    49    45.00000  125.66300
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    50   0.15000  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    55  -0.33500  1.0 1.0
   33    38    40    55   1.06600 -1.0 2.0
   33    38    40    55  -0.14000  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    48    43  -0.11250  1.0 3.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    43   0.11950  1.0 1.0
   38    33    48    43   0.20300 -1.0 2.0
   38    33    48    43  -0.70800  1.0 3.0
   38    33    48    49  -0.09450  1.0 1.0
   38    33    48    49  -1.12950 -1.0 2.0
   38    33    48    49   0.54000  1.0 3.0
   38    33    48    50  -0.11250  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    43   7.00000 -1.0 2.0
   38    40    55    51  -0.18600  1.0 3.0
   38    40    55    57   1.08500 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    55   1.00000 -1.0 2.0
   40    41    42    45  -0.18600  1.0 3.0
   40    41    42    47   0.28850  1.0 1.0
   40    41    42    47   2.61350 -1.0 2.0
   40    41    42    47   0.78400  1.0 3.0
   40    41    43    44   1.00000 -1.0 2.0
   40    41    43    48  -0.33500  1.0 1.0
   40    41    43    48   1.06600 -1.0 2.0
   40    41    43    48  -0.14000  1.0 3.0
   40    55    57    58  -0.66100  1.0 1.0
   40    55    57    58   1.20850 -1.0 2.0
   40    55    57    58  -0.36000  1.0 3.0
   41    40    55    51   0.28850  1.0 1.0
   41    40    55    51   2.61350 -1.0 2.0
   41    40    55    51   0.78400  1.0 3.0
   41    40    55    57   0.50950  1.0 1.0
   41    40    55    57   0.56650 -1.0 2.0
   41    40    55    57   0.34050  1.0 3.0
   41    42    45    46   1.00000 -1.0 2.0
   41    42   -45    51  -1.18350  1.0 1.0
   41    42   -45    51   1.45950 -1.0 2.0
   41    42    47    53   7.00000 -1.0 2.0
   41    42    47    65   7.00000 -1.0 2.0
   41    43   -48    33   0.65300  1.0 1.0
   41    43   -48    33  -0.03850 -1.0 2.0
   41    43   -48    33   0.33900  1.0 3.0
   41    43    48    49   0.65300  1.0 1.0
   41    43    48    49  -0.03850 -1.0 2.0
   41    43    48    49   0.33900  1.0 3.0
   41    43    48    50   0.00000  1.0 1.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    48  -0.33500  1.0 1.0
   42    41    43    48   1.06600 -1.0 2.0
   42    41    43    48  -0.14000  1.0 3.0
   42    45    51    52   0.93700 -1.0 2.0
   42    45    51    55  -1.18350  1.0 1.0
   42    45    51    55   1.45950 -1.0 2.0
   42    47    53    54   1.00000 -1.0 2.0
   42    47    53    56  -1.65800  1.0 1.0
   42    47    53    56   0.77650 -1.0 2.0
   42    47    65    62   0.50400  1.0 1.0
   42    47    65    62   1.60000 -1.0 2.0
   42    47    65    62  -0.01800  1.0 3.0
   42    47    65    66   1.00000 -1.0 2.0
   45    42    47    53   7.00000 -1.0 2.0
   45    42    47    65   7.00000 -1.0 2.0
   45    51   -55    40   7.00000 -1.0 2.0
   45    51    55    57   7.00000 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    55   1.00000 -1.0 2.0
   51    55    57    58  -0.66100  1.0 1.0
   51    55    57    58   1.20850 -1.0 2.0
   51    55    57    58  -0.36000  1.0 3.0
   52    51    55    40   7.00000 -1.0 2.0
   52    51    55    57   7.00000 -1.0 2.0
   55    40   -41    42   7.00000 -1.0 2.0
   55    40    41    43   7.00000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
   47    42    45    51  -1.18350  1.0 1.0
   47    42    45    51   1.45950 -1.0 2.0
   47    53    56    59  -0.11500  1.0 1.0
   47    53    56    59   1.10450 -1.0 2.0
   47    53    56    59  -0.48050  1.0 3.0
   47    53    56    71  -0.11500  1.0 1.0
   47    53    56    71   1.10450 -1.0 2.0
   47    53    56    71  -0.48050  1.0 3.0
   53    47    65    62   1.50000 -1.0 2.0
   53    47    65    66   2.50000 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56   -59    62   3.62500 -1.0 2.0
   53    56    71    67   3.62500 -1.0 2.0
   53    56    71    72   3.62500 -1.0 2.0
   54    53    56    59   1.05000 -1.0 2.0
   54    53    56    71   1.05000 -1.0 2.0
   56    59    60    61   3.62500 -1.0 2.0
   56    59    60    64   3.62500 -1.0 2.0
   56    59    62    63   1.05000 -1.0 2.0
   56    59    62    65   0.56600 -1.0 2.0
   56    71    72    73   0.84100 -1.0 2.0
   59    56    71    67   3.62500 -1.0 2.0
   59    56    71    72   3.62500 -1.0 2.0
   59    60   -64    67   3.62500 -1.0 2.0
   59    60    64    69   3.62500 -1.0 2.0
   59    62   -65    47   0.43900  1.0 1.0
   59    62   -65    47  -0.18150 -1.0 2.0
   59    62   -65    47  -0.03650  1.0 3.0
   59    62    65    66   0.03000  1.0 1.0
   59    62    65    66   0.58800 -1.0 2.0
   59    62    65    66   0.15550  1.0 3.0
   60    59    62    63   1.05000 -1.0 2.0
   60    59    62    65   0.56600 -1.0 2.0
   60    64    67    68   3.62500 -1.0 2.0
   60    64    67    71   3.62500 -1.0 2.0
   60    64    69    70   0.84100 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   64    67   -71    56   3.62500 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   67    64    69    70   0.84100 -1.0 2.0
   67    71    72    73   0.84100 -1.0 2.0
   68    67    71    56   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   71    56   -59    60   3.62500 -1.0 2.0
   71    56    59    62   3.62500 -1.0 2.0
   69    64    67    68   3.62500 -1.0 2.0
   69    64    67    71   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    64   3.62500 -1.0 2.0
   63    62    65    47   0.03000  1.0 1.0
   63    62    65    47   0.58800 -1.0 2.0
   63    62    65    47   0.15550  1.0 3.0
   63    62    65    66   0.06100 -1.0 2.0
   65    47    53    54   2.50000 -1.0 2.0
   65    47   -53    56   1.50000 -1.0 2.0
   43    41    42    45   1.08500 -1.0 2.0
   43    41    42    47  -0.18600  1.0 3.0
   44    43    48    33   0.30150 -1.0 2.0
   44    43    48    49   0.30150 -1.0 2.0
   44    43    48    50   0.00000  1.0 1.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    55    40    41   1.10000 -1.0 2.0
   42    43    41    40   1.10000 -1.0 2.0
   41    45    42    47   1.10000 -1.0 2.0
   42    51    45    46  10.50000 -1.0 2.0
   45    52    51    55   1.10000 -1.0 2.0
   40    57    55    51   1.10000 -1.0 2.0
   53    65    47    42   1.10000 -1.0 2.0
   47    56    53    54  10.50000 -1.0 2.0
   59    71    56    53   4.00000 -1.0 2.0
   60    62    59    56   4.00000 -1.0 2.0
   64    61    60    59   1.10000 -1.0 2.0
   67    69    64    60   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   67    72    71    56   4.00000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
   47    62    65    66  10.50000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
END
