* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    137    225     408
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02182    33.42510   179.57479
    3     1 S   H    _H1_     3     1.02104    94.11128   -62.11164
    4     1 S   H    _H2_     4     1.02098    86.17428    46.40227
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.85443    97.11767   161.84507
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C17    37     1.50654   107.15117   -59.97248
   38    37 S   HC   _H14    38     1.08887   118.35154    75.92226
   39    33 S   NE   _N5_    50     1.50955   114.91250    67.88364
   40    37 S   CM   _C16    39     1.34419   123.18698  -100.22650
   41    39 S   CM   _C10    51     1.28814   125.24892   -69.57995
   42    41 S   HC   _H10    52     1.09957   117.88645    -5.10096
   43    40 S   CO4  _C15    40     1.49105   120.02177    -3.02711
   44    43 S   O    _O33    41     1.22666   121.54973   169.74644
   45    41 S   CM   _C9_    53     1.46664   122.68656   174.83654
   46    45 S   HC   _H9_    54     1.08385   120.00683   -30.02813
   47    40 S   OH   _O34    75     1.37760   121.37183   176.30038
   48    47 S   HO   _H15    76     0.96320   109.94787   179.96574
   49    43 S   CM   _C14    42     1.48201   117.53609   -13.98159
   50    49 S   HC   _H13    43     1.08230   118.25076  -160.03775
   51    45 S   CM   _C8_    55     1.34120   118.55360   150.03979
   52    33 S   CM   _C13    44     1.51053   108.25553   179.70261
   53    51 S   CM   _C7_    56     1.45661   121.60173    -0.01978
   54    53 S   HC   _H8_    57     1.08629   118.30680   -11.00967
   55    52 S   CT   _C12    45     1.50264   109.18092   -92.95634
   56    55 S   HC   _H11    46     1.09590   109.75207    82.83762
   57    55 S   HC   _H12    47     1.09536   112.92217  -156.22078
   58    53 S   CM   _C6_    58     1.34132   120.07802   168.21760
   59    55 S   CT1  _C11    48     1.52848   102.67675   -34.90635
   60    59 S   HC   _H4_    49     1.09431   112.54719   144.59106
   61    58 S   NE   _N4_    59     1.37464   123.39503    -2.24960
   62    61 S   H    _H7_    60     1.01450   117.46737  -176.87707
   63    58 S   CMA  _C20    69     1.51375   116.69903   179.17623
   64    63 S   OM   _O38    70     1.26261   115.09981   -59.97572
   65    63 S   OM   _O37    71     1.26377   115.06314   119.97767
   66    61 S   CT1  _C5_    61     1.44816   122.86425    -6.01832
   67    66 S   HC   _H3_    62     1.09525   110.07707   149.83024
   68    59 S   CO3  _C19    72     1.51603   111.69268   -89.86648
   69    68 S   O2Z  _O36    73     1.26249   115.26812    53.53575
   70    68 S   O2Z  _O35    74     1.26266   114.80702  -126.47350
   71    51 S   CT   _C4_    63     1.51956   121.99568  -179.03673
   72    71 S   HC   _H5_    64     1.09750   110.59782   -22.66471
   73    71 S   HC   _H6_    65     1.09826   107.14671    93.32346
   74    66 S   CO3  _C21    66     1.51461   105.93792   -93.43930
   75    74 S   O2Z  _O40    67     1.26174   115.23288    61.97291
   76    74 S   O2Z  _O39    68     1.26211   114.80326  -118.04264
  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  10   5   4   3
  18   2   1   1  12   5  16   7  11   4   7   4  10   3   2   1
   6   2  11   6  11   4   7   4   3   9   4   3  12   5   3   1
   1   7   6   2   1   1   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    52    55    59    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    49    50    52    55    56    57    59    60    39    41    42    45    68    47  
   35    36  
   36  
    0  
   38    40    43    44    49    52    55    59    39    41    47    48  
   40    43    52    39    47  
   41    42    45    46    51    68    69    70    40    49    52    55    56    57    59    60  
   43    44    49    50    52    47    48  
   42    45    46    51    53    71    68    52    55    59    60  
   45    46    51    59  
   44    49    50    52    55    47    48  
   49    50    52    47  
   46    51    53    54    58    66    71    72    73    59  
   51    53    71  
   48    49  
    0  
   50    52    55    56    57    59  
   52    55  
   53    54    58    61    66    67    71    72    73    74    63  
   55    56    57    59    60    68  
   54    58    61    62    66    71    72    73    63    64    65  
   58    61    71    63  
   56    57    59    60    68    69    70  
   57    59    60    68  
   59    60    68  
   61    62    66    67    71    74    63    64    65  
   60    68    69    70  
   68    69    70  
   62    66    67    71    72    73    74    75    76    63    64    65  
   66    67    71    74    63  
   64    65    66  
   65  
    0  
   67    71    72    73    74    75    76  
   71    72    73    74    75    76  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74  
   74  
   75    76  
   76  
    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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   65   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   317.000  1.510
   33    39   382.000  1.448
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    43   320.000  1.462
   40    47   510.000  1.338
   43    44   570.000  1.229
   43    49   320.000  1.462
   49    50   340.000  1.080
   49    52   549.000  1.340
   52    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    39   382.000  1.448
   59    68   317.000  1.522
   39    41   425.000  1.378
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    51   380.000  1.444
   51    53   549.000  1.340
   51    71   317.000  1.510
   53    54   340.000  1.080
   53    58   380.000  1.444
   58    61   425.000  1.378
   58    63   465.000  1.376
   61    62   434.000  1.010
   61    66   382.000  1.448
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    74   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   74    75   656.000  1.250
   74    76   656.000  1.250
   63    64   745.000  1.250
   63    65   745.000  1.250
   68    69   656.000  1.250
   68    70   656.000  1.250
   47    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    37    75.00000  112.20000
   29    33    52    75.00000  112.20000
   29    33    39    80.00000  108.62000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    52    49    70.00000  124.00000
   33    52    55    65.00000  117.92700
   33    39    59    50.00000  115.00000
   33    39    41    50.00000  121.00000
   37    40    43    65.00000  118.96000
   37    40    47    80.00000  121.38400
   40    37    38    35.00000  120.00000
   40    43    44    80.00000  123.72100
   40    43    49    65.00000  118.65900
   40    47    48    70.00000  107.45700
   43    49    50    40.00000  117.72500
   43    49    52    65.00000  118.96000
   49    43    44    80.00000  123.72100
   49    52    55    70.00000  124.00000
   52    33    37    70.00000  110.12100
   52    49    50    35.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.02700
   55    59    60    37.50000  110.70000
   55    59    39    80.00000  111.61500
   55    59    68    63.00000  111.10000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    39    41    50.00000  121.00000
   59    68    69    70.00000  117.00000
   59    68    70    70.00000  117.00000
   39    33    37    80.00000  112.42400
   39    33    52    80.00000  112.42400
   39    59    60    35.00000  109.50000
   39    41    42    50.00000  112.30800
   39    41    45    70.00000  124.03900
   41    45    46    35.00000  120.00000
   41    45    51    70.00000  123.01800
   45    41    42    35.00000  120.00000
   45    51    53    70.00000  123.01800
   45    51    71    70.00000  124.00000
   51    45    46    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    58    70.00000  123.01800
   51    71    66    70.00000  112.02700
   51    71    72    35.00000  109.50000
   51    71    73    35.00000  109.50000
   53    58    61    70.00000  124.03900
   53    58    63    70.00000  117.34000
   58    53    54    35.00000  120.00000
   58    61    62    35.00000  114.50000
   58    61    66    50.00000  121.00000
   58    63    64    65.00000  137.10300
   58    63    65    65.00000  137.10300
   61    66    67    35.00000  109.50000
   61    66    71    80.00000  111.61500
   61    66    74    63.00000  110.10000
   66    61    62    35.00000  112.50000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    74    75    70.00000  117.00000
   66    74    76    70.00000  117.00000
   71    51    53    70.00000  124.00000
   71    66    67    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    66    67    35.00000  109.50000
   74    66    71    63.00000  111.10000
   76    74    75    80.00000  126.00000
   63    58    61    70.00000  124.03900
   65    63    64    65.00000  121.00000
   68    59    60    35.00000  109.50000
   68    59    39    63.00000  110.10000
   70    68    69    80.00000  126.00000
   47    40    43    85.00000  116.28000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    52    49   0.42700  1.0 1.0
   29    33    52    49  -0.70350 -1.0 2.0
   29    33    52    49  -0.43150  1.0 3.0
   29    33    52    55   0.30250  1.0 1.0
   29    33    52    55  -0.14950 -1.0 2.0
   29    33    52    55   0.36900  1.0 3.0
   29    33    39    59   0.00000  1.0 1.0
   29    33    39    41  -0.12500  1.0 1.0
   29    33    39    41  -0.12500 -1.0 2.0
   29    33    39    41   0.25000  1.0 3.0
   33    37    40    43   7.00000 -1.0 2.0
   33    37    40    47   7.00000 -1.0 2.0
   33    52    55    56   0.34800  1.0 3.0
   33    52    55    57   0.34800  1.0 3.0
   33    52   -55    59   0.46850  1.0 1.0
   33    52   -55    59   0.08550 -1.0 2.0
   33    52   -55    59   0.09800  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    45  -0.54700  1.0 1.0
   33    39    41    45   1.23000 -1.0 2.0
   37    33    52    49  -0.28300  1.0 1.0
   37    33    52    49   0.26700 -1.0 2.0
   37    33    52    49  -0.63300  1.0 3.0
   37    33    52    55   0.09700  1.0 1.0
   37    33    52    55   0.15600 -1.0 2.0
   37    33    52    55  -0.50800  1.0 3.0
   37    33    39    59   0.00000  1.0 1.0
   37    33    39    41  -0.12500  1.0 1.0
   37    33    39    41  -0.12500 -1.0 2.0
   37    33    39    41   0.25000  1.0 3.0
   37    40    43    44   1.00000 -1.0 2.0
   37    40   -43    49  -1.18350  1.0 1.0
   37    40   -43    49   1.45950 -1.0 2.0
   37    40    47    48  -0.66100  1.0 1.0
   37    40    47    48   1.20850 -1.0 2.0
   37    40    47    48  -0.36000  1.0 3.0
   38    37    40    43   7.00000 -1.0 2.0
   38    37    40    47   7.00000 -1.0 2.0
   40    43    49    50   0.93700 -1.0 2.0
   40    43    49    52  -1.18350  1.0 1.0
   40    43    49    52   1.45950 -1.0 2.0
   43    40    47    48   2.00000 -1.0 2.0
   43    49   -52    33   7.00000 -1.0 2.0
   43    49    52    55   7.00000 -1.0 2.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    52   1.00000 -1.0 2.0
   49    52    55    56   0.00000  1.0 1.0
   49    52    55    57   0.00000  1.0 1.0
   49    52    55    59   0.09850  1.0 1.0
   49    52    55    59   0.15250 -1.0 2.0
   49    52    55    59  -0.50650  1.0 3.0
   50    49    52    33   7.00000 -1.0 2.0
   50    49    52    55   7.00000 -1.0 2.0
   52    33    37    38   0.00000  1.0 1.0
   52    33   -37    40  -0.28300  1.0 1.0
   52    33   -37    40   0.26700 -1.0 2.0
   52    33   -37    40  -0.63300  1.0 3.0
   52    33   -39    59   0.00000  1.0 1.0
   52    33    39    41  -0.12500  1.0 1.0
   52    33    39    41  -0.12500 -1.0 2.0
   52    33    39    41   0.25000  1.0 3.0
   52    55    59    60   0.15000  1.0 3.0
   52    55   -59    39   0.21700  1.0 1.0
   52    55   -59    39   0.68550 -1.0 2.0
   52    55   -59    39  -0.27950  1.0 3.0
   52    55    59    68  -0.98800  1.0 1.0
   52    55    59    68   0.48800 -1.0 2.0
   52    55    59    68   0.76800  1.0 3.0
   55    59   -39    33   0.00000  1.0 1.0
   55    59    39    41   0.25450  1.0 1.0
   55    59    39    41  -0.61700 -1.0 2.0
   55    59    39    41  -0.23550  1.0 3.0
   55    59    68    69   0.00000  1.0 1.0
   55    59    68    70   0.00000  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    39   0.22950  1.0 3.0
   56    55    59    68  -0.03800  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    39   0.22950  1.0 3.0
   57    55    59    68  -0.03800  1.0 3.0
   59    39    41    42   0.00000  1.0 1.0
   59    39    41    45  -0.54700  1.0 1.0
   59    39    41    45   1.23000 -1.0 2.0
   60    59    39    33   0.00000  1.0 1.0
   60    59    39    41   0.00000  1.0 1.0
   60    59    68    69   0.00000  1.0 1.0
   60    59    68    70   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.62150  1.0 1.0
   39    33    37    40   0.42850 -1.0 2.0
   39    33    37    40  -0.68200  1.0 3.0
   39    33    52    49   0.62150  1.0 1.0
   39    33    52    49   0.42850 -1.0 2.0
   39    33    52    49  -0.68200  1.0 3.0
   39    33   -52    55   0.09700  1.0 1.0
   39    33   -52    55   0.15600 -1.0 2.0
   39    33   -52    55  -0.50800  1.0 3.0
   39    59    68    69   0.00000  1.0 1.0
   39    59    68    70   0.00000  1.0 1.0
   39    41    45    46   7.00000 -1.0 2.0
   39    41    45    51   7.00000 -1.0 2.0
   41    45    51    53   0.28850  1.0 1.0
   41    45    51    53   2.61350 -1.0 2.0
   41    45    51    53   0.78400  1.0 3.0
   41    45    51    71  -0.18600  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    51   7.00000 -1.0 2.0
   45    51    53    54   7.00000 -1.0 2.0
   45    51    53    58   7.00000 -1.0 2.0
   45    51    71    66   0.98200  1.0 1.0
   45    51    71    66  -0.11900 -1.0 2.0
   45    51    71    66   0.24250  1.0 3.0
   45    51    71    72   0.00000  1.0 1.0
   45    51    71    73   0.00000  1.0 1.0
   46    45    51    53  -0.18600  1.0 3.0
   46    45    51    71   0.00000  1.0 1.0
   51    53    58    61  -0.18600  1.0 3.0
   51    53    58    63   0.28850  1.0 1.0
   51    53    58    63   2.61350 -1.0 2.0
   51    53    58    63   0.78400  1.0 3.0
   53    51    71    66   0.09850  1.0 1.0
   53    51    71    66   0.15250 -1.0 2.0
   53    51    71    66  -0.50650  1.0 3.0
   53    51    71    72   0.00000  1.0 1.0
   53    51    71    73   0.00000  1.0 1.0
   53    58    61    62   1.00000 -1.0 2.0
   53    58   -61    66  -0.54700  1.0 1.0
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   53    58    63    64   7.00000 -1.0 2.0
   53    58    63    65   7.00000 -1.0 2.0
   54    53    58    61   0.00000  1.0 1.0
   54    53    58    63  -0.18600  1.0 3.0
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   58    61    66    71  -0.61700 -1.0 2.0
   58    61    66    71  -0.23550  1.0 3.0
   58    61    66    74  -0.12500  1.0 1.0
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   61    66   -71    51   0.21700  1.0 1.0
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   61    66   -71    51  -0.27950  1.0 3.0
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   61    66    71    73   0.22950  1.0 3.0
   61    66    74    75   0.00000  1.0 1.0
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   62    61    66    67   0.00000  1.0 1.0
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   62    61    66    74   0.00000  1.0 1.0
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   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    74    75   0.00000  1.0 1.0
   67    66    74    76   0.00000  1.0 1.0
   71    51    53    54   7.00000 -1.0 2.0
   71    51   -53    58   7.00000 -1.0 2.0
   71    66    74    75   0.00000  1.0 1.0
   71    66    74    76   0.00000  1.0 1.0
   74    66    71    51  -0.98800  1.0 1.0
   74    66    71    51   0.48800 -1.0 2.0
   74    66    71    51   0.76800  1.0 3.0
   74    66    71    72  -0.03800  1.0 3.0
   74    66    71    73  -0.03800  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    66  -0.54700  1.0 1.0
   63    58    61    66   1.23000 -1.0 2.0
   68    59    39    33   0.00000  1.0 1.0
   68    59    39    41  -0.12500  1.0 1.0
   68    59    39    41  -0.12500 -1.0 2.0
   68    59    39    41   0.25000  1.0 3.0
   47    40    43    44  -0.11900  1.0 1.0
   47    40    43    44   0.76850 -1.0 2.0
   47    40    43    44   0.14100  1.0 3.0
   47    40    43    49   1.50000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   43    47    40    37   1.10000 -1.0 2.0
   40    49    43    44  10.50000 -1.0 2.0
   43    50    49    52   1.10000 -1.0 2.0
   33    55    52    49   1.10000 -1.0 2.0
   59    41    39    33   1.00000 -1.0 2.0
   39    42    41    45  15.00000 -1.0 2.0
   51    46    45    41  15.00000 -1.0 2.0
   45    71    51    53   1.10000 -1.0 2.0
   58    54    53    51   1.10000 -1.0 2.0
   53    61    58    63   1.10000 -1.0 2.0
   62    58    61    66   1.00000 -1.0 2.0
   75    66    74    76  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
   69    59    68    70  10.50000 -1.0 2.0
END
