* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    143    228     433
    1     0 S   NP   _N1_     1    28.72419    97.58903   -23.44464
    2     1 S   H    _HN1     2     1.02950    65.43127    18.88740
    3     1 S   H    _H1_     3     1.02828    45.65131   172.83363
    4     1 S   H    _H2_     4     1.02786   103.62838   -85.33400
    5     1 S   CT   _CA1     5     1.50110   142.75984   110.72630
    6     5 S   HC   _HA1     6     1.09572   105.19902   101.74702
    7     5 S   CO3  _C1_     7     1.53793   112.47387   -18.49941
    8     7 S   O2Z  _O11     8     1.26372   115.00876   -42.31786
    9     7 S   O2Z  _O12     9     1.26241   114.94828   136.83987
   10     5 S   CT   _CB1    10     1.53081   107.42421  -140.25554
   11    10 S   HC   HB11    11     1.09832   109.38958   -49.63962
   12    10 S   HC   HB12    12     1.09813   110.43888    66.97632
   13    10 S   CT   _CG1    13     1.52985   112.59667  -170.61609
   14    13 S   HC   HG11    14     1.09583   110.62137   -65.36572
   15    13 S   HC   HG12    15     1.09670   109.79530    53.86402
   16    13 S   C    _CD1    16     1.51796   112.24913   174.33313
   17    16 S   O    _OE1    17     1.22729   123.28536     6.45157
   18    16 S   N    _N2_    18     1.38638   111.64113  -173.65616
   19    18 S   H    _HN2    19     1.01575   118.96793     1.77894
   20    18 S   CT1  _CA2    20     1.46244   123.45132   177.86192
   21    20 S   HC   _HA2    21     1.09738   109.35256     2.57359
   22    20 S   C    _C2_    22     1.53545   108.49818  -112.86194
   23    22 S   O    _O2_    23     1.23035   122.38779  -147.46751
   24    20 S   CT   _CB2    32     1.53326   111.52034   124.53833
   25    24 S   HC   HB21    33     1.09584   110.05044    56.34125
   26    24 S   HC   HB22    34     1.09473   110.02251   175.51677
   27    22 S   N    _N3_    24     1.38372   113.65388    39.99705
   28    27 S   H    _HN3    25     1.01577   119.57636    -3.31470
   29    24 S   S    _SG2    35     1.82938   111.26926   -64.54339
   30    27 S   CT   _CA3    26     1.45277   123.18852   177.10903
   31    30 S   HC   HA31    27     1.09549   107.50925   -64.58487
   32    30 S   HC   HA32    28     1.09557   107.98909    51.85366
   33    29 S   CT   _C15    36     1.84028    99.87719   171.58350
   34    33 S   HC   _H8_    37     1.09753   103.21839   -53.30343
   35    30 S   CO3  _C3_    29     1.52952   114.08460   173.84553
   36    35 S   O2Z  _O31    30     1.26375   116.07458    -0.86479
   37    35 S   O2Z  _O32    31     1.26427   114.41440   179.20058
   38    33 S   CM   _C13    38     1.52595   112.38707    63.07134
   39    33 S   CT   _C5_    54     1.55835   114.42795  -167.95299
   40    39 S   HC   _H3_    55     1.09977   107.50149  -171.99820
   41    38 S   CT   _C12    39     1.52308   116.42528    60.45947
   42    41 S   HC   _H7_    40     1.09740   109.56473   -45.53646
   43    39 S   CT   _C4_    56     1.54626   108.72602    74.05869
   44    43 S   HC   _H9_    57     1.09481   111.61256   -71.85246
   45    43 S   HC   _H10    58     1.09441   111.44380   167.33457
   46    43 S   HC   _H11    59     1.09552   111.11575    48.94006
   47    38 S   CMA  _C14    73     1.36023   118.02859  -123.02332
   48    47 S   OM   _O33    74     1.25904   134.28272  -176.29514
   49    47 S   HC   _H16    75     1.09220   112.50457     2.48680
   50    41 S   CT   _C11    41     1.53906   111.55619    74.26142
   51    50 S   HC   _H6_    42     1.09656   110.63647    39.84734
   52    41 S   CO4  _C16    70     1.52551   112.66291  -158.91411
   53    52 S   O    _O34    71     1.22902   123.21579    90.70802
   54    52 S   HC   _H17    72     1.10442   116.28332   -86.97551
   55    50 S   CT   _C10    43     1.54052   112.98503   -84.20574
   56    55 S   HC   _H5_    44     1.10089   106.64953   -58.06999
   57    50 S   OH   _O35    68     1.43683   109.46999   156.47558
   58    57 S   HO   _H18    69     0.97295   107.88262    63.49668
   59    55 S   CT   _C9_    45     1.54733   110.90869  -172.74472
   60    59 S   HC   _H14    46     1.09814   109.76654   -37.19779
   61    59 S   HC   _H15    47     1.09597   111.67629    81.76575
   62    59 S   CT   _C8_    48     1.52898   105.63151  -155.97195
   63    62 S   CT   _C7_    49     1.53074   100.87755    39.46396
   64    63 S   HC   _H12    50     1.09584   111.75747  -162.43423
   65    63 S   HC   _H13    51     1.09808   110.04357    78.01955
   66    62 S   CT   _C17    60     1.53094   111.55323   157.96560
   67    66 S   HC   _H19    61     1.09563   111.01639    63.87616
   68    66 S   HC   _H20    62     1.09575   111.53896   -56.04303
   69    66 S   HC   _H21    63     1.09563   111.00911  -175.95455
   70    62 S   CT   _C18    64     1.53682   111.79986   -79.59390
   71    70 S   HC   _H22    65     1.09589   110.78772   -64.45971
   72    70 S   HC   _H23    66     1.09585   110.80137   176.04839
   73    70 S   HC   _H24    67     1.09428   112.66951    55.74574
   74    55 S   CT   _C6_    52     1.55409   120.34560    63.30318
   75    74 S   HC   _H4_    53     1.09874   106.53636  -123.25708
  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
  19   7   2   1   1  16  17   8  15   8   7   3   2   1   4   1
   1  15   7   4   1   1  14   8   3   1  16   6   5  13  12   5
   4   8   3   2   1   4   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    74    39    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    50    55    63    74    75    39    40    43    44    45    46    52    47    48    49  
   38    41    74    39    40    43    47  
   36    37  
   37  
    0  
   41    42    50    51    55    74    39    40    43    57    52    53    54    47    48    49  
   40    43    44    45    46    47    41    50    55    56    59    62    63    64    65    74    75  
   43    44    45    46    55    63    74    75  
   42    50    51    55    56    59    74    57    58    52    53    54    47    48    49  
   50    51    55    57    52    53    54    47  
   44    45    46    55    63    74    75  
   45    46    74  
   46    74  
   74  
   48    49    50    52  
   49  
    0  
   51    55    56    59    60    61    62    63    74    75    57    58    52    53    54  
   55    56    59    74    57    58    52  
   53    54    55    57  
   54  
    0  
   56    59    60    61    62    63    64    65    74    75    66    70    57    58  
   59    60    61    62    63    74    75    57  
   58    59    74  
    0  
   60    61    62    63    64    65    74    75    66    67    68    69    70    71    72    73  
   61    62    63    74    66    70  
   62    63    74    66    70  
   63    64    65    74    75    66    67    68    69    70    71    72    73  
   64    65    74    75    66    67    68    69    70    71    72    73  
   65    74    75    66    70  
   74    75    66    70  
   67    68    69    70    71    72    73    74  
   68    69    70  
   69    70  
   70  
   71    72    73    74  
   72    73  
   73  
    0  
   75  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   317.000  1.510
   38    47   465.000  1.376
   41    42   340.000  1.090
   41    50   268.000  1.529
   41    52   317.000  1.522
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    74   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   268.000  1.529
   62    66   268.000  1.529
   62    70   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    74   268.000  1.529
   74    75   340.000  1.090
   74    39   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   553.000  0.945
   52    53   570.000  1.229
   52    54   340.000  1.090
   47    48   745.000  1.250
   47    49   335.000  1.111
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    47    70.00000  124.00000
   33    39    74    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  109.50000
   38    41    50    70.00000  112.02700
   38    41    52    70.00000  109.06800
   38    47    48    65.00000  137.10300
   38    47    49    45.00000  105.30000
   41    50    51    37.50000  110.70000
   41    50    55    58.35000  112.70000
   41    50    57    50.00000  109.50000
   41    52    53    80.00000  120.40000
   41    52    54    35.00000  115.00000
   50    41    42    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    74    58.35000  112.70000
   50    57    58    55.00000  108.50000
   55    50    51    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    58.35000  112.70000
   55    74    63    58.35000  112.70000
   55    74    75    37.50000  110.70000
   55    74    39    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    62    63    58.35000  112.70000
   59    62    66    58.35000  112.70000
   59    62    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    74    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    73    37.50000  110.70000
   63    74    75    37.50000  110.70000
   63    74    39    58.35000  112.70000
   65    63    64    33.00000  107.80000
   74    55    56    37.50000  110.70000
   74    55    59    58.35000  112.70000
   74    63    64    37.50000  110.70000
   74    63    65    37.50000  110.70000
   74    39    40    37.50000  110.70000
   74    39    43    58.35000  112.70000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    74    75    37.50000  110.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   43    39    40    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   66    62    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    62    63    58.35000  112.70000
   70    62    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    55    50.00000  109.50000
   52    41    42    35.00000  109.50000
   52    41    50    63.00000  111.10000
   54    52    53    35.00000  123.00000
   47    38    41    70.00000  124.00000
   49    47    48    50.00000  124.16400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   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    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    47   0.42700  1.0 1.0
   29    33    38    47  -0.70350 -1.0 2.0
   29    33    38    47  -0.43150  1.0 3.0
   29    33    39    74   0.44750  1.0 1.0
   29    33    39    74  -0.17800 -1.0 2.0
   29    33    39    74   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    50   0.46850  1.0 1.0
   33    38    41    50   0.08550 -1.0 2.0
   33    38    41    50   0.09800  1.0 3.0
   33    38    41    52   0.17250  1.0 1.0
   33    38    41    52  -0.04100 -1.0 2.0
   33    38    41    52  -0.33850  1.0 3.0
   33    38    47    48   7.00000 -1.0 2.0
   33    38    47    49   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    47   0.00000  1.0 1.0
   34    33    39    74   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    74   0.34400  1.0 1.0
   38    33    39    74   0.09450 -1.0 2.0
   38    33    39    74   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.34400  1.0 1.0
   38    33    39    43   0.09450 -1.0 2.0
   38    33    39    43   0.11100  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    55   0.34400  1.0 1.0
   38    41    50    55   0.09450 -1.0 2.0
   38    41    50    55   0.11100  1.0 3.0
   38    41    50    57   1.05650  1.0 1.0
   38    41    50    57   0.15600 -1.0 2.0
   38    41    50    57   0.53150  1.0 3.0
   38    41    52    53   0.30150 -1.0 2.0
   38    41    52    54   0.81450  1.0 1.0
   38    41    52    54  -0.29600 -1.0 2.0
   38    41    52    54   0.60450  1.0 3.0
   41    38    47    48   7.00000 -1.0 2.0
   41    38    47    49   7.00000 -1.0 2.0
   41    50    55    56   0.15000  1.0 3.0
   41    50    55    59   0.56750  1.0 1.0
   41    50    55    59  -0.07550 -1.0 2.0
   41    50    55    59   0.20000  1.0 3.0
   41    50    55    74   0.56750  1.0 1.0
   41    50    55    74  -0.07550 -1.0 2.0
   41    50    55    74   0.20000  1.0 3.0
   41    50    57    58  -0.11600  1.0 1.0
   41    50    57    58  -0.09450 -1.0 2.0
   41    50    57    58   0.21250  1.0 3.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    55   0.15000  1.0 3.0
   42    41    50    57   0.23400  1.0 3.0
   42    41    52    53   0.00000  1.0 1.0
   42    41    52    54   0.00000  1.0 1.0
   50    41    52    53   0.30150 -1.0 2.0
   50    41    52    54   0.74550  1.0 1.0
   50    41    52    54  -0.00500 -1.0 2.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.15000  1.0 3.0
   50    55    59    62   0.56750  1.0 1.0
   50    55    59    62  -0.07550 -1.0 2.0
   50    55    59    62   0.20000  1.0 3.0
   50    55    74    63   0.56750  1.0 1.0
   50    55    74    63  -0.07550 -1.0 2.0
   50    55    74    63   0.20000  1.0 3.0
   50    55    74    75   0.15000  1.0 3.0
   50    55    74    39   0.56750  1.0 1.0
   50    55    74    39  -0.07550 -1.0 2.0
   50    55    74    39   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   51    50    55    74   0.15000  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   55    50    57    58  -0.11600  1.0 1.0
   55    50    57    58  -0.09450 -1.0 2.0
   55    50    57    58   0.21250  1.0 3.0
   55    59   -62    63   0.56750  1.0 1.0
   55    59   -62    63  -0.07550 -1.0 2.0
   55    59   -62    63   0.20000  1.0 3.0
   55    59    62    66   0.56750  1.0 1.0
   55    59    62    66  -0.07550 -1.0 2.0
   55    59    62    66   0.20000  1.0 3.0
   55    59    62    70   0.56750  1.0 1.0
   55    59    62    70  -0.07550 -1.0 2.0
   55    59    62    70   0.20000  1.0 3.0
   55    74    39    33   0.56750  1.0 1.0
   55    74    39    33  -0.07550 -1.0 2.0
   55    74    39    33   0.20000  1.0 3.0
   55    74    39    40   0.15000  1.0 3.0
   55    74    39    43   0.56750  1.0 1.0
   55    74    39    43  -0.07550 -1.0 2.0
   55    74    39    43   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   56    55    74    63   0.15000  1.0 3.0
   56    55    74    75   0.15000  1.0 3.0
   56    55    74    39   0.15000  1.0 3.0
   59    55   -74    63   0.56750  1.0 1.0
   59    55   -74    63  -0.07550 -1.0 2.0
   59    55   -74    63   0.20000  1.0 3.0
   59    55    74    75   0.15000  1.0 3.0
   59    55    74    39   0.56750  1.0 1.0
   59    55    74    39  -0.07550 -1.0 2.0
   59    55    74    39   0.20000  1.0 3.0
   59    62    63    64   0.15000  1.0 3.0
   59    62    63    65   0.15000  1.0 3.0
   59    62   -63    74   0.56750  1.0 1.0
   59    62   -63    74  -0.07550 -1.0 2.0
   59    62   -63    74   0.20000  1.0 3.0
   59    62    66    67   0.15000  1.0 3.0
   59    62    66    68   0.15000  1.0 3.0
   59    62    66    69   0.15000  1.0 3.0
   59    62    70    71   0.15000  1.0 3.0
   59    62    70    72   0.15000  1.0 3.0
   59    62    70    73   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    62    70   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    66   0.15000  1.0 3.0
   61    59    62    70   0.15000  1.0 3.0
   62    63   -74    55   0.56750  1.0 1.0
   62    63   -74    55  -0.07550 -1.0 2.0
   62    63   -74    55   0.20000  1.0 3.0
   62    63    74    75   0.15000  1.0 3.0
   62    63    74    39   0.56750  1.0 1.0
   62    63    74    39  -0.07550 -1.0 2.0
   62    63    74    39   0.20000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    73   0.15000  1.0 3.0
   63    74    39    33   0.56750  1.0 1.0
   63    74    39    33  -0.07550 -1.0 2.0
   63    74    39    33   0.20000  1.0 3.0
   63    74    39    40   0.15000  1.0 3.0
   63    74    39    43   0.56750  1.0 1.0
   63    74    39    43  -0.07550 -1.0 2.0
   63    74    39    43   0.20000  1.0 3.0
   64    63    74    55   0.15000  1.0 3.0
   64    63    74    75   0.15000  1.0 3.0
   64    63    74    39   0.15000  1.0 3.0
   65    63    74    55   0.15000  1.0 3.0
   65    63    74    75   0.15000  1.0 3.0
   65    63    74    39   0.15000  1.0 3.0
   74    55    59    60   0.15000  1.0 3.0
   74    55    59    61   0.15000  1.0 3.0
   74    55   -59    62   0.56750  1.0 1.0
   74    55   -59    62  -0.07550 -1.0 2.0
   74    55   -59    62   0.20000  1.0 3.0
   74    39    43    44   0.15000  1.0 3.0
   74    39    43    45   0.15000  1.0 3.0
   74    39    43    46   0.15000  1.0 3.0
   75    74    39    33   0.15000  1.0 3.0
   75    74    39    40   0.15000  1.0 3.0
   75    74    39    43   0.15000  1.0 3.0
   39    33    38    41   0.46850  1.0 1.0
   39    33    38    41   0.08550 -1.0 2.0
   39    33    38    41   0.09800  1.0 3.0
   39    33    38    47   0.09850  1.0 1.0
   39    33    38    47   0.15250 -1.0 2.0
   39    33    38    47  -0.50650  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    74   0.56750  1.0 1.0
   66    62    63    74  -0.07550 -1.0 2.0
   66    62    63    74   0.20000  1.0 3.0
   66    62    70    71   0.15000  1.0 3.0
   66    62    70    72   0.15000  1.0 3.0
   66    62    70    73   0.15000  1.0 3.0
   70    62    63    64   0.15000  1.0 3.0
   70    62    63    65   0.15000  1.0 3.0
   70    62    63    74   0.56750  1.0 1.0
   70    62    63    74  -0.07550 -1.0 2.0
   70    62    63    74   0.20000  1.0 3.0
   70    62    66    67   0.15000  1.0 3.0
   70    62    66    68   0.15000  1.0 3.0
   70    62    66    69   0.15000  1.0 3.0
   57    50    55    56   0.23400  1.0 3.0
   57    50    55    59   0.86500  1.0 1.0
   57    50    55    59  -0.17500 -1.0 2.0
   57    50    55    59   0.20800  1.0 3.0
   57    50    55    74   0.86500  1.0 1.0
   57    50    55    74  -0.17500 -1.0 2.0
   57    50    55    74   0.20800  1.0 3.0
   52    41    50    51  -0.11250  1.0 3.0
   52    41    50    55  -0.95700  1.0 1.0
   52    41    50    55  -0.18200 -1.0 2.0
   52    41    50    55   0.29450  1.0 3.0
   52    41    50    57  -0.09450  1.0 1.0
   52    41    50    57  -1.12950 -1.0 2.0
   52    41    50    57   0.54000  1.0 3.0
   47    38    41    42   0.00000  1.0 1.0
   47    38    41    50   0.09850  1.0 1.0
   47    38    41    50   0.15250 -1.0 2.0
   47    38    41    50  -0.50650  1.0 3.0
   47    38    41    52  -0.51250  1.0 1.0
   47    38    41    52  -0.88800 -1.0 2.0
   47    38    41    52   0.08850  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    41    38    47   1.10000 -1.0 2.0
   41    54    52    53  10.50000 -1.0 2.0
   48    49    47    38   1.10000 -1.0 2.0
END
