* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    137    219     413
    1     0 S   NP   _N1_     1    28.97020    95.71121   -25.93757
    2     1 S   H    _HN1     2     1.02797   124.17172   -99.36524
    3     1 S   H    _H1_     3     1.02947    74.62076     2.69428
    4     1 S   H    _H2_     4     1.02823    32.88453  -167.92723
    5     1 S   CT   _CA1     5     1.50146   118.60341   107.84656
    6     5 S   HC   _HA1     6     1.09578   105.11866    94.56002
    7     5 S   CO3  _C1_     7     1.53760   112.53156   -25.55939
    8     7 S   O2Z  _O11     8     1.26380   114.99584   -40.66550
    9     7 S   O2Z  _O12     9     1.26244   114.94293   138.25903
   10     5 S   CT   _CB1    10     1.53048   107.37760  -147.50344
   11    10 S   HC   HB11    11     1.09847   109.24227   -49.26966
   12    10 S   HC   HB12    12     1.09810   110.49986    67.30301
   13    10 S   CT   _CG1    13     1.53033   112.68971  -170.21401
   14    13 S   HC   HG11    14     1.09563   110.76593   -69.39457
   15    13 S   HC   HG12    15     1.09671   109.65824    49.85699
   16    13 S   C    _CD1    16     1.51823   111.86941   170.31294
   17    16 S   O    _OE1    17     1.22763   123.13477    15.17771
   18    16 S   N    _N2_    18     1.38649   111.90156  -164.63926
   19    18 S   H    _HN2    19     1.01560   118.95207     0.63427
   20    18 S   CT1  _CA2    20     1.46230   123.37404   175.60265
   21    20 S   HC   _HA2    21     1.09738   109.30495     9.10548
   22    20 S   C    _C2_    22     1.53734   108.67024  -106.37311
   23    22 S   O    _O2_    23     1.23082   122.27499  -147.40563
   24    20 S   CT   _CB2    32     1.53355   111.71278   131.20936
   25    24 S   HC   HB21    33     1.09590   110.05490    56.13140
   26    24 S   HC   HB22    34     1.09402   109.90653   175.03249
   27    22 S   N    _N3_    24     1.38320   113.86089    39.99684
   28    27 S   H    _HN3    25     1.01531   119.62560    -2.79302
   29    24 S   S    _SG2    35     1.82762   111.53995   -64.66099
   30    27 S   CT   _CA3    26     1.45283   123.35289   177.42245
   31    30 S   HC   HA31    27     1.09544   107.47758   -65.91081
   32    30 S   HC   HA32    28     1.09553   108.05191    50.57475
   33    29 S   CT   _C13    36     1.83080    99.98791   178.24075
   34    33 S   HC   _H5_    37     1.09641   104.94774   -35.29511
   35    30 S   CO3  _C3_    29     1.52997   113.99597   172.59617
   36    35 S   O2Z  _O31    30     1.26392   116.07451    -0.69464
   37    35 S   O2Z  _O32    31     1.26423   114.42102   179.36913
   38    33 S   CM   _C14    38     1.54173   117.23706  -153.47751
   39    33 S   CT   _C12    52     1.54104   108.51028    81.13757
   40    39 S   HC   _H15    53     1.09805   109.81414    63.38175
   41    39 S   HC   _H16    54     1.09717   109.80757   -53.72222
   42    38 S   CT   _C16    39     1.54574   110.35328   177.10978
   43    38 S   CMA  _C15    71     1.35989   128.00222    -4.16043
   44    43 S   OM   _O33    72     1.25863   134.99118     0.24708
   45    43 S   HC   _H17    73     1.08833   113.10433  -179.25664
   46    42 S   CT   _C8_    40     1.57638   111.31113    59.55481
   47    42 S   CO4  _C17    66     1.53687   114.45839  -172.75671
   48    47 S   O    _O34    67     1.22912   124.40096    99.48570
   49    47 S   HC   _H18    68     1.10241   116.09995   -78.22530
   50    42 S   OH   _O35    69     1.44028   107.30402   -59.32001
   51    50 S   HO   _H19    70     0.97385   107.41809   -58.10221
   52    46 S   CT   _C7_    41     1.56058   110.47539  -174.85106
   53    52 S   HC   _H11    42     1.09747   109.90872    50.82435
   54    52 S   HC   _H12    43     1.09683   110.37652   -66.06835
   55    46 S   CT   _C18    62     1.55561   110.62412    64.71532
   56    55 S   HC   _H20    63     1.09384   112.41350   -51.70385
   57    55 S   HC   _H21    64     1.09422   112.36007  -172.01603
   58    55 S   HC   _H22    65     1.09472   111.40847    68.81593
   59    52 S   CT   _C6_    44     1.53226   113.90009   171.77887
   60    59 S   HC   _H9_    45     1.09706   109.86241    68.88255
   61    59 S   HC   _H10    46     1.09745   108.40220  -175.52342
   62    59 S   CT   _C5_    47     1.53736   112.33027   -54.30000
   63    62 S   HC   _H3_    48     1.09932   108.04568   -62.41705
   64    62 S   CM   _C10    49     1.52694   109.61737    53.68363
   65    62 S   CT   _C4_    58     1.53332   109.34885  -177.71715
   66    65 S   HC   _H6_    59     1.09558   111.69339   -62.22357
   67    65 S   HC   _H7_    60     1.09537   111.16281   176.43322
   68    65 S   HC   _H8_    61     1.09577   110.50558    57.50132
   69    46 S   CT   _C9_    50     1.57205   108.59093   -56.74957
   70    69 S   HC   _H4_    51     1.10152   107.74373   -60.40367
   71    64 S   CM   _C11    55     1.34447   123.64003   123.21192
   72    71 S   HC   _H13    56     1.08387   122.32281    -0.17914
   73    71 S   HC   _H14    57     1.08386   122.35387  -179.74512
  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
  15   7   2   1   1  16  12   5   4  20   5   1   1  20   7   2
   1   4   1  15   7   6   7   3   2   1  11   5   4  11   7   9
   5   2   1   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    69    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    46    64    69    70    39    40    41    47    50    43    44    45  
   38    42    69    39    40    41    43  
   36    37  
   37  
    0  
   42    46    52    69    39    40    41    55    47    48    49    50    51    43    44    45  
   40    41    71    55    43    42    46    52    62    64    69    70  
   41    46    64    69    70  
   46    64    69    70  
   46    52    53    54    59    64    69    70    55    56    57    58    47    48    49    50    51    43    44    45  
   44    45    46    47    50  
   45  
    0  
   52    53    54    59    60    61    62    64    69    70    71    55    56    57    58    47    48    49    50    51  
   48    49    50    51    52    55    69  
   49    50  
   50  
   51    52    55    69  
    0  
   53    54    59    60    61    62    63    64    69    70    65    55    56    57    58  
   54    59    60    61    62    69    55  
   59    60    61    62    69    55  
   56    57    58    59    64    69    70  
   57    58    69  
   58    69  
   69  
   60    61    62    63    64    69    71    65    66    67    68  
   61    62    63    64    65  
   62    63    64    65  
   63    64    69    70    71    72    73    65    66    67    68  
   64    69    71    65    66    67    68  
   69    70    71    72    73    65    66    67    68  
   66    67    68    69    71  
   67    68  
   68  
    0  
   70    71    72    73  
   71  
   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   2.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   49   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   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    42   317.000  1.510
   38    43   465.000  1.376
   42    46   268.000  1.529
   42    47   317.000  1.522
   42    50   320.000  1.410
   46    52   268.000  1.529
   46    69   268.000  1.529
   46    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   268.000  1.529
   64    69   317.000  1.510
   64    71   549.000  1.340
   69    70   340.000  1.090
   69    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   71    72   340.000  1.080
   71    73   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   47    48   570.000  1.229
   47    49   340.000  1.090
   50    51   553.000  0.945
   43    44   745.000  1.250
   43    45   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    42    65.00000  117.92700
   33    38    43    70.00000  124.00000
   33    39    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    46    70.00000  112.02700
   38    42    47    70.00000  109.06800
   38    42    50    90.00000  110.39200
   38    43    44    65.00000  137.10300
   38    43    45    45.00000  105.30000
   42    46    52    58.35000  112.70000
   42    46    69    58.35000  112.70000
   42    46    55    58.35000  112.70000
   42    47    48    80.00000  120.40000
   42    47    49    35.00000  115.00000
   42    50    51    55.00000  108.50000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    59    58.35000  112.70000
   46    69    64    70.00000  112.02700
   46    69    70    37.50000  110.70000
   46    69    39    58.35000  112.70000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   46    55    58    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    58.35000  112.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    70.00000  112.02700
   59    62    65    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    64    69    65.00000  117.92700
   62    64    71    70.00000  124.00000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   64    62    63    35.00000  109.50000
   64    69    70    35.00000  109.50000
   64    69    39    70.00000  112.02700
   64    71    72    35.00000  120.00000
   64    71    73    35.00000  120.00000
   69    46    52    58.35000  112.70000
   69    39    40    37.50000  110.70000
   69    39    41    37.50000  110.70000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    69    70    37.50000  110.70000
   41    39    40    33.00000  107.80000
   71    64    69    70.00000  124.00000
   73    71    72    35.00000  117.00000
   65    62    63    37.50000  110.70000
   65    62    64    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   55    46    52    58.35000  112.70000
   55    46    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   47    42    46    63.00000  111.10000
   49    47    48    35.00000  123.00000
   50    42    46    50.00000  109.50000
   50    42    47    90.00000  109.61100
   43    38    42    70.00000  124.00000
   45    43    44    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    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    39    69   0.44750  1.0 1.0
   29    33    39    69  -0.17800 -1.0 2.0
   29    33    39    69   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    46   0.46850  1.0 1.0
   33    38    42    46   0.08550 -1.0 2.0
   33    38    42    46   0.09800  1.0 3.0
   33    38    42    47   0.17250  1.0 1.0
   33    38    42    47  -0.04100 -1.0 2.0
   33    38    42    47  -0.33850  1.0 3.0
   33    38    42    50   0.18000  1.0 1.0
   33    38    42    50   0.16450 -1.0 2.0
   33    38    42    50   0.04450  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    69   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    69   0.34400  1.0 1.0
   38    33    39    69   0.09450 -1.0 2.0
   38    33    39    69   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    46    52   0.34400  1.0 1.0
   38    42    46    52   0.09450 -1.0 2.0
   38    42    46    52   0.11100  1.0 3.0
   38    42   -46    69   0.34400  1.0 1.0
   38    42   -46    69   0.09450 -1.0 2.0
   38    42   -46    69   0.11100  1.0 3.0
   38    42    46    55   0.34400  1.0 1.0
   38    42    46    55   0.09450 -1.0 2.0
   38    42    46    55   0.11100  1.0 3.0
   38    42    47    48   0.30150 -1.0 2.0
   38    42    47    49   0.81450  1.0 1.0
   38    42    47    49  -0.29600 -1.0 2.0
   38    42    47    49   0.60450  1.0 3.0
   38    42    50    51  -0.07800  1.0 1.0
   38    42    50    51  -0.21500 -1.0 2.0
   38    42    50    51  -0.03150  1.0 3.0
   42    38    43    44   7.00000 -1.0 2.0
   42    38    43    45   7.00000 -1.0 2.0
   42    46    52    53   0.15000  1.0 3.0
   42    46    52    54   0.15000  1.0 3.0
   42    46    52    59   0.56750  1.0 1.0
   42    46    52    59  -0.07550 -1.0 2.0
   42    46    52    59   0.20000  1.0 3.0
   42    46    69    64   0.34400  1.0 1.0
   42    46    69    64   0.09450 -1.0 2.0
   42    46    69    64   0.11100  1.0 3.0
   42    46    69    70   0.15000  1.0 3.0
   42    46    69    39   0.56750  1.0 1.0
   42    46    69    39  -0.07550 -1.0 2.0
   42    46    69    39   0.20000  1.0 3.0
   42    46    55    56   0.15000  1.0 3.0
   42    46    55    57   0.15000  1.0 3.0
   42    46    55    58   0.15000  1.0 3.0
   46    42    47    48   0.30150 -1.0 2.0
   46    42    47    49   0.74550  1.0 1.0
   46    42    47    49  -0.00500 -1.0 2.0
   46    42    50    51  -0.11600  1.0 1.0
   46    42    50    51  -0.09450 -1.0 2.0
   46    42    50    51   0.21250  1.0 3.0
   46    52    59    60   0.15000  1.0 3.0
   46    52    59    61   0.15000  1.0 3.0
   46    52    59    62   0.56750  1.0 1.0
   46    52    59    62  -0.07550 -1.0 2.0
   46    52    59    62   0.20000  1.0 3.0
   46    69   -39    33   0.56750  1.0 1.0
   46    69   -39    33  -0.07550 -1.0 2.0
   46    69   -39    33   0.20000  1.0 3.0
   46    69    39    40   0.15000  1.0 3.0
   46    69    39    41   0.15000  1.0 3.0
   52    46    69    64   0.34400  1.0 1.0
   52    46    69    64   0.09450 -1.0 2.0
   52    46    69    64   0.11100  1.0 3.0
   52    46    69    70   0.15000  1.0 3.0
   52    46    69    39   0.56750  1.0 1.0
   52    46    69    39  -0.07550 -1.0 2.0
   52    46    69    39   0.20000  1.0 3.0
   52    46    55    56   0.15000  1.0 3.0
   52    46    55    57   0.15000  1.0 3.0
   52    46    55    58   0.15000  1.0 3.0
   52    59    62    63   0.15000  1.0 3.0
   52    59   -62    64   0.34400  1.0 1.0
   52    59   -62    64   0.09450 -1.0 2.0
   52    59   -62    64   0.11100  1.0 3.0
   52    59    62    65   0.56750  1.0 1.0
   52    59    62    65  -0.07550 -1.0 2.0
   52    59    62    65   0.20000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    62   0.15000  1.0 3.0
   59    62    64    69   0.46850  1.0 1.0
   59    62    64    69   0.08550 -1.0 2.0
   59    62    64    69   0.09800  1.0 3.0
   59    62    64    71   0.09850  1.0 1.0
   59    62    64    71   0.15250 -1.0 2.0
   59    62    64    71  -0.50650  1.0 3.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    67   0.15000  1.0 3.0
   59    62    65    68   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    64   -69    46   0.46850  1.0 1.0
   62    64   -69    46   0.08550 -1.0 2.0
   62    64   -69    46   0.09800  1.0 3.0
   62    64    69    70   0.34800  1.0 3.0
   62    64    69    39   0.46850  1.0 1.0
   62    64    69    39   0.08550 -1.0 2.0
   62    64    69    39   0.09800  1.0 3.0
   62    64    71    72   7.00000 -1.0 2.0
   62    64    71    73   7.00000 -1.0 2.0
   63    62    64    69   0.34800  1.0 3.0
   63    62    64    71   0.00000  1.0 1.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   64    69    39    33   0.34400  1.0 1.0
   64    69    39    33   0.09450 -1.0 2.0
   64    69    39    33   0.11100  1.0 3.0
   64    69    39    40   0.15000  1.0 3.0
   64    69    39    41   0.15000  1.0 3.0
   69    46    52    53   0.15000  1.0 3.0
   69    46    52    54   0.15000  1.0 3.0
   69    46   -52    59   0.56750  1.0 1.0
   69    46   -52    59  -0.07550 -1.0 2.0
   69    46   -52    59   0.20000  1.0 3.0
   69    46    55    56   0.15000  1.0 3.0
   69    46    55    57   0.15000  1.0 3.0
   69    46    55    58   0.15000  1.0 3.0
   69    64    71    72   7.00000 -1.0 2.0
   69    64    71    73   7.00000 -1.0 2.0
   70    69    39    33   0.15000  1.0 3.0
   70    69    39    40   0.15000  1.0 3.0
   70    69    39    41   0.15000  1.0 3.0
   39    33   -38    42   0.46850  1.0 1.0
   39    33   -38    42   0.08550 -1.0 2.0
   39    33   -38    42   0.09800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   71    64    69    46   0.09850  1.0 1.0
   71    64    69    46   0.15250 -1.0 2.0
   71    64    69    46  -0.50650  1.0 3.0
   71    64    69    70   0.00000  1.0 1.0
   71    64    69    39   0.09850  1.0 1.0
   71    64    69    39   0.15250 -1.0 2.0
   71    64    69    39  -0.50650  1.0 3.0
   65    62    64    69   0.46850  1.0 1.0
   65    62    64    69   0.08550 -1.0 2.0
   65    62    64    69   0.09800  1.0 3.0
   65    62    64    71   0.09850  1.0 1.0
   65    62    64    71   0.15250 -1.0 2.0
   65    62    64    71  -0.50650  1.0 3.0
   55    46    52    53   0.15000  1.0 3.0
   55    46    52    54   0.15000  1.0 3.0
   55    46    52    59   0.56750  1.0 1.0
   55    46    52    59  -0.07550 -1.0 2.0
   55    46    52    59   0.20000  1.0 3.0
   55    46    69    64   0.34400  1.0 1.0
   55    46    69    64   0.09450 -1.0 2.0
   55    46    69    64   0.11100  1.0 3.0
   55    46    69    70   0.15000  1.0 3.0
   55    46    69    39   0.56750  1.0 1.0
   55    46    69    39  -0.07550 -1.0 2.0
   55    46    69    39   0.20000  1.0 3.0
   47    42    46    52  -0.95700  1.0 1.0
   47    42    46    52  -0.18200 -1.0 2.0
   47    42    46    52   0.29450  1.0 3.0
   47    42    46    69  -0.95700  1.0 1.0
   47    42    46    69  -0.18200 -1.0 2.0
   47    42    46    69   0.29450  1.0 3.0
   47    42    46    55  -0.95700  1.0 1.0
   47    42    46    55  -0.18200 -1.0 2.0
   47    42    46    55   0.29450  1.0 3.0
   47    42    50    51   0.91850  1.0 1.0
   47    42    50    51   0.57950  1.0 3.0
   50    42    46    52   0.86500  1.0 1.0
   50    42    46    52  -0.17500 -1.0 2.0
   50    42    46    52   0.20800  1.0 3.0
   50    42    46    69   0.86500  1.0 1.0
   50    42    46    69  -0.17500 -1.0 2.0
   50    42    46    69   0.20800  1.0 3.0
   50    42    46    55   0.86500  1.0 1.0
   50    42    46    55  -0.17500 -1.0 2.0
   50    42    46    55   0.20800  1.0 3.0
   50    42    47    48   0.30150 -1.0 2.0
   50    42    47    49   0.00000  1.0 1.0
   43    38    42    46   0.09850  1.0 1.0
   43    38    42    46   0.15250 -1.0 2.0
   43    38    42    46  -0.50650  1.0 3.0
   43    38    42    47  -0.51250  1.0 1.0
   43    38    42    47  -0.88800 -1.0 2.0
   43    38    42    47   0.08850  1.0 3.0
   43    38    42    50   0.67800  1.0 1.0
   43    38    42    50   0.47050 -1.0 2.0
   43    38    42    50  -0.62500  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    42    38    43   1.10000 -1.0 2.0
   62    69    64    71   1.10000 -1.0 2.0
   72    73    71    64   1.10000 -1.0 2.0
   42    49    47    48  10.50000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
END
