* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    151    234     440
    1     0 S   NP   _N1_     1    28.94455    94.16992   -20.49383
    2     1 S   H    _HN1     2     1.02962   100.54823    38.70085
    3     1 S   H    _H1_     3     1.02838    28.24629   145.20727
    4     1 S   H    _H2_     4     1.02779    84.60272   -68.95355
    5     1 S   CT   _CA1     5     1.50096   136.53058   174.13900
    6     5 S   HC   _HA1     6     1.09573   105.28683    45.09346
    7     5 S   CO3  _C1_     7     1.53817   112.26207   -75.18534
    8     7 S   O2Z  _O11     8     1.26354   115.03723   -46.80691
    9     7 S   O2Z  _O12     9     1.26239   114.89821   132.44571
   10     5 S   CT   _CB1    10     1.53084   107.43023   162.99016
   11    10 S   HC   HB11    11     1.09814   109.43321   -50.78539
   12    10 S   HC   HB12    12     1.09834   110.38571    65.77597
   13    10 S   CT   _CG1    13     1.53000   112.63232  -171.97466
   14    13 S   HC   HG11    14     1.09554   110.22618   -59.19699
   15    13 S   HC   HG12    15     1.09610   110.28610    59.89688
   16    13 S   C    _CD1    16     1.51801   111.95073   179.98022
   17    16 S   O    _OE1    17     1.22738   123.06210   -18.25081
   18    16 S   N    _N2_    18     1.38516   111.76383   162.58560
   19    18 S   H    _HN2    19     1.01584   119.04792     1.37088
   20    18 S   CT1  _CA2    20     1.46232   123.58655  -176.21555
   21    20 S   HC   _HA2    21     1.09730   109.29243   -18.06891
   22    20 S   C    _C2_    22     1.53453   108.20491  -133.70870
   23    22 S   O    _O2_    23     1.22990   122.40028  -147.07901
   24    20 S   CT   _CB2    32     1.53620   111.21153   104.08852
   25    24 S   HC   HB21    33     1.09461   109.62554    53.20024
   26    24 S   HC   HB22    34     1.09494   110.19746   171.76586
   27    22 S   N    _N3_    24     1.38569   113.29235    40.47743
   28    27 S   H    _HN3    25     1.01529   118.84006    -0.59676
   29    24 S   S    _SG2    35     1.83396   111.57008   -69.24964
   30    27 S   CT   _CA3    26     1.45441   123.45529   175.07606
   31    30 S   HC   HA31    27     1.09523   109.22599    24.36682
   32    30 S   HC   HA32    28     1.09494   107.11039   141.37609
   33    29 S   CT   _C21    36     1.86948   101.55611   155.46132
   34    33 S   HC   _H4_    37     1.09254   102.63499   158.92912
   35    30 S   CO3  _C3_    29     1.52932   113.18758   -99.10378
   36    35 S   O2Z  _O31    30     1.26399   115.45188   -42.84790
   37    35 S   O2Z  _O32    31     1.26363   114.95510   138.13741
   38    33 S   CM   _C20    38     1.52462   108.58769    50.35203
   39    38 S   CMA  _C19    39     1.34979   124.23137  -121.61858
   40    39 S   OM   _O36    40     1.26141   131.46917   176.35471
   41    38 S   OS   _O35    76     1.39439   115.37473    54.69433
   42    39 S   CM   _C18    41     1.45200   117.82808    -5.81177
   43    42 S   HC   _H20    42     1.09077   117.92505  -177.82985
   44    41 S   CT   _C22    77     1.42600   110.93726    88.36574
   45    44 S   HC   _H21    78     1.09401   107.82987   175.56204
   46    44 S   HC   _H22    79     1.09526   111.47569    57.12286
   47    44 S   HC   _H23    80     1.09446   111.18723   -66.29610
   48    42 S   CM   _C17    43     1.34327   123.94038    -2.31900
   49    48 S   CT   _C16    44     1.50672   120.99959  -172.01768
   50    49 S   HC   _H3_    45     1.09897   110.96693    -5.81972
   51    33 S   CT   _C7_    57     1.60105   115.89494   -84.29732
   52    49 S   CT   _C15    46     1.54275   106.23855   108.14198
   53    52 S   HC   _H18    47     1.09929   108.58629   -78.00908
   54    52 S   HC   _H19    48     1.09820   109.21388   166.08491
   55    51 S   CT   _C6_    58     1.56360   114.89360     2.39179
   56    55 S   HC   _H10    59     1.09391   110.11260    55.00668
   57    55 S   HC   _H11    60     1.09718   111.13754   -63.27810
   58    49 S   NT   _N4_    64     1.47902   113.72976  -126.56599
   59    52 S   CA   _C9_    49     1.51602   115.46380    42.21046
   60    55 S   CT   _C5_    61     1.54143   113.82045   174.80763
   61    60 S   HC   _H8_    62     1.09607   110.11746    71.82009
   62    60 S   HC   _H9_    63     1.09731   109.11909  -174.48005
   63    58 S   CT   _C4_    65     1.46571   111.28463    76.25522
   64    63 S   HC   _H5_    66     1.09582   110.50842    58.24579
   65    63 S   HC   _H6_    67     1.09523   113.03789   -63.15324
   66    63 S   HC   _H7_    68     1.09590   110.48104   175.48638
   67    59 S   CA   _C10    50     1.40544   117.23391   168.86732
   68    67 S   HA   _H12    51     1.08810   119.96128     3.44907
   69    67 S   CA   _C11    52     1.39287   121.13909  -175.14816
   70    69 S   HA   _H13    53     1.08497   118.00388   179.59555
   71    69 S   CA   _C12    54     1.39066   119.71014     1.66906
   72    71 S   CA   _C13    55     1.40699   119.19600    -2.23957
   73    71 S   OS   _O34    71     1.37219   125.29274   177.09034
   74    59 S   CA   _C8_    56     1.41720   122.40120    -9.43724
   75    72 S   OH   _O33    69     1.37356   117.85451   175.22148
   76    75 S   HO   _H14    70     0.97366   107.70925     1.68980
   77    73 S   CT   _C14    72     1.42273   116.97465     0.36850
   78    77 S   HC   _H15    73     1.09428   107.73389   179.91844
   79    77 S   HC   _H16    74     1.09497   111.13668    62.18277
   80    77 S   HC   _H17    75     1.09497   111.13373   -62.35058
  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
  17   7   2   1   1  13   8   4   6   9   3   3   2   1   1  15
  17   8  14  11   5   4  10   6   5   8   8   7   2   1   3   2
   1   1   7   4   7   3   9   5   6   2   1   1   3   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    74    51    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    48    49    59    72    74    51    55    56    57    60    41    44  
   38    39    48    74    51    55    41  
   36    37  
   37  
    0  
   39    40    42    43    48    74    51    55    41    44    45    46    47  
   40    42    43    48    49    51    41    44  
   42    43    48    41  
   44    45    46    47    42    51  
   43    48    49    50    52    74    51    55    58  
   48    49    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    52    53    54    59    72    74    51    55    56    57    60    58    63  
   50    52    53    54    59    67    74    51    55    60    61    62    58    63    64    65    66  
   52    53    54    59    51    60    58    63  
   55    56    57    60    61    62    58    75    52    59    67    71    72    74  
   53    54    59    67    68    69    72    74    60    58    63  
   54    59    67    74    58  
   59    67    74    58  
   56    57    60    61    62    58    63    59    72    74  
   57    60    61    62    58    74  
   60    61    62    58    74  
   63    64    65    66    59    60    61    62  
   67    68    69    70    71    72    74    75  
   61    62    63    64    65    66    74  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    74    73  
   69    70    71    74  
   70    71    72    74    75    73    77  
   71    72    73  
   72    74    75    76    73    77    78    79    80  
   74    75    76    73    77  
   77    78    79    80    74    75  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.005000   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  -0.120000   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   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    51   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   465.000  1.376
   42    43   340.000  1.080
   42    48   549.000  1.340
   48    49   317.000  1.510
   48    51   317.000  1.510
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    58   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   317.000  1.510
   59    67   469.000  1.400
   59    74   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    73   450.000  1.364
   72    74   469.000  1.400
   72    75   450.000  1.364
   74    51   317.000  1.510
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    58   382.000  1.448
   58    63   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   75    76   553.000  0.945
   73    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    51    48    70.00000  112.02700
   33    51    74    70.00000  112.17500
   33    51    55    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    70.00000  123.01800
   38    41    44    90.00000  111.18400
   39    42    43    40.00000  120.50800
   39    42    48    70.00000  117.34000
   42    39    40    65.00000  137.10300
   42    48    49    70.00000  124.00000
   42    48    51    70.00000  124.00000
   48    42    43    35.00000  120.00000
   48    49    50    35.00000  109.50000
   48    49    52    70.00000  112.02700
   48    49    58    75.00000  110.70900
   48    51    74    70.00000  112.99600
   48    51    55    70.00000  112.02700
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    59    70.00000  112.17500
   49    58    60    51.80000  107.20000
   49    58    63    51.80000  107.20000
   52    49    50    37.50000  110.70000
   52    59    67    70.00000  120.00000
   52    59    74    70.00000  120.00000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   59    67    68    35.00000  120.00000
   59    67    69    63.00000  120.00000
   59    74    72    63.00000  120.00000
   59    74    51    70.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    73    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    72    75    70.00000  120.00000
   71    73    77    75.00000  111.00000
   72    74    51    70.00000  120.00000
   72    75    76    35.00000  113.00000
   74    59    67    63.00000  120.00000
   74    51    55    70.00000  112.17500
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    48    49    65.00000  117.92700
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    60    58.35000  112.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    58    56.20000  109.47000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    58    63    51.80000  107.20000
   62    60    61    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    52    56.20000  109.47000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   75    72    74    70.00000  120.00000
   73    71    72    70.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    74   0.56750  1.0 1.0
   29    33    51    74  -0.07550 -1.0 2.0
   29    33    51    74   0.20000  1.0 3.0
   29    33    51    55   0.44750  1.0 1.0
   29    33    51    55  -0.17800 -1.0 2.0
   29    33    51    55   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    44   2.00000 -1.0 2.0
   33    51    55    56   0.15000  1.0 3.0
   33    51    55    57   0.15000  1.0 3.0
   33    51    55    60   0.56750  1.0 1.0
   33    51    55    60  -0.07550 -1.0 2.0
   33    51    55    60   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    74   0.43200  1.0 3.0
   34    33    51    55   0.15000  1.0 3.0
   38    33    51    48   0.31000  1.0 1.0
   38    33    51    48   0.14700 -1.0 2.0
   38    33    51    48   0.07550  1.0 3.0
   38    33    51    74   0.21200  1.0 1.0
   38    33    51    74   0.16900 -1.0 2.0
   38    33    51    74  -1.15100  1.0 3.0
   38    33    51    55   0.34400  1.0 1.0
   38    33    51    55   0.09450 -1.0 2.0
   38    33    51    55   0.11100  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    48   7.00000 -1.0 2.0
   38    41    44    45   0.08050  1.0 3.0
   38    41    44    46   0.08050  1.0 3.0
   38    41    44    47   0.08050  1.0 3.0
   39    38    41    44  -2.26850  1.0 1.0
   39    38    41    44   3.39050 -1.0 2.0
   39    42    48    49   7.00000 -1.0 2.0
   39    42    48    51   7.00000 -1.0 2.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    48   7.00000 -1.0 2.0
   42    48    49    50   0.00000  1.0 1.0
   42    48    49    52   0.09850  1.0 1.0
   42    48    49    52   0.15250 -1.0 2.0
   42    48    49    52  -0.50650  1.0 3.0
   42    48    49    58   0.90200  1.0 1.0
   42    48    49    58   0.57900 -1.0 2.0
   42    48    49    58  -0.62100  1.0 3.0
   42    48   -51    33   0.09850  1.0 1.0
   42    48   -51    33   0.15250 -1.0 2.0
   42    48   -51    33  -0.50650  1.0 3.0
   42    48    51    74   1.44450  1.0 1.0
   42    48    51    74   0.06600 -1.0 2.0
   42    48    51    74   0.29250  1.0 3.0
   42    48    51    55   0.09850  1.0 1.0
   42    48    51    55   0.15250 -1.0 2.0
   42    48    51    55  -0.50650  1.0 3.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    51   7.00000 -1.0 2.0
   48    49    52    53   0.15000  1.0 3.0
   48    49    52    54   0.15000  1.0 3.0
   48    49    52    59   0.21200  1.0 1.0
   48    49    52    59   0.16900 -1.0 2.0
   48    49    52    59  -1.15100  1.0 3.0
   48    49    58    60  -0.60800  1.0 1.0
   48    49    58    60   1.10050 -1.0 2.0
   48    49    58    60   0.47000  1.0 3.0
   48    49    58    63  -0.60800  1.0 1.0
   48    49    58    63   1.10050 -1.0 2.0
   48    49    58    63   0.47000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    60   0.34400  1.0 1.0
   48    51   -55    60   0.09450 -1.0 2.0
   48    51   -55    60   0.11100  1.0 3.0
   49    48    51    33   0.46850  1.0 1.0
   49    48    51    33   0.08550 -1.0 2.0
   49    48    51    33   0.09800  1.0 3.0
   49    48    51    74   0.09700  1.0 1.0
   49    48    51    74   0.15600 -1.0 2.0
   49    48    51    74  -0.50800  1.0 3.0
   49    48    51    55   0.46850  1.0 1.0
   49    48    51    55   0.08550 -1.0 2.0
   49    48    51    55   0.09800  1.0 3.0
   49    52    59    67   0.04150 -1.0 2.0
   49    52   -59    74   0.04150 -1.0 2.0
   49    58    63    64   0.28000  1.0 3.0
   49    58    63    65   0.28000  1.0 3.0
   49    58    63    66   0.28000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    59   0.43200  1.0 3.0
   50    49    58    60   0.28000  1.0 3.0
   50    49    58    63   0.28000  1.0 3.0
   52    49    58    60   0.23450  1.0 1.0
   52    49    58    60   0.02050 -1.0 2.0
   52    49    58    60   0.25250  1.0 3.0
   52    49    58    63   0.58650  1.0 1.0
   52    49    58    63   0.12600 -1.0 2.0
   52    49    58    63   0.33350  1.0 3.0
   52    59    67    68   3.62500 -1.0 2.0
   52    59    67    69   3.62500 -1.0 2.0
   52    59    74    72   3.62500 -1.0 2.0
   52    59    74    51   3.62500 -1.0 2.0
   53    52    59    67   0.00000  1.0 1.0
   53    52    59    74   0.00000  1.0 1.0
   54    52    59    67   0.00000  1.0 1.0
   54    52    59    74   0.00000  1.0 1.0
   59    67    69    70   3.62500 -1.0 2.0
   59    67    69    71   3.62500 -1.0 2.0
   59    74    51    33   0.04150 -1.0 2.0
   59    74   -51    48   0.18050 -1.0 2.0
   59    74    51    55   0.04150 -1.0 2.0
   67    59    74    72   3.62500 -1.0 2.0
   67    59    74    51   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    74   3.62500 -1.0 2.0
   69    71    72    75   3.62500 -1.0 2.0
   69    71    73    77   1.63200 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    72   -74    59   3.62500 -1.0 2.0
   71    72    74    51   3.62500 -1.0 2.0
   71    72    75    76   0.84100 -1.0 2.0
   71    73    77    78   0.08050  1.0 3.0
   71    73    77    79   0.08050  1.0 3.0
   71    73    77    80   0.08050  1.0 3.0
   72    71    73    77   1.63200 -1.0 2.0
   72    74    51    33   0.04150 -1.0 2.0
   72    74    51    48   0.18050 -1.0 2.0
   72    74    51    55   0.04150 -1.0 2.0
   74    59    67    68   3.62500 -1.0 2.0
   74    59   -67    69   3.62500 -1.0 2.0
   74    72    75    76   0.84100 -1.0 2.0
   74    51    55    56   0.43200  1.0 3.0
   74    51    55    57   0.43200  1.0 3.0
   74    51    55    60  -0.03700  1.0 1.0
   74    51    55    60   0.37200 -1.0 2.0
   74    51    55    60  -0.47300  1.0 3.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.09700  1.0 1.0
   51    33    38    41   0.15600 -1.0 2.0
   51    33    38    41  -0.50800  1.0 3.0
   51    48    49    50   0.34800  1.0 3.0
   51    48   -49    52   0.46850  1.0 1.0
   51    48   -49    52   0.08550 -1.0 2.0
   51    48   -49    52   0.09800  1.0 3.0
   51    48    49    58   0.52100  1.0 1.0
   51    48    49    58  -0.20350 -1.0 2.0
   51    48    49    58   0.29750  1.0 3.0
   51    55    60    61   0.15000  1.0 3.0
   51    55    60    62   0.15000  1.0 3.0
   51    55   -60    58   1.53400  1.0 1.0
   51    55   -60    58  -0.09950 -1.0 2.0
   51    55   -60    58   0.05700  1.0 3.0
   55    60   -58    49   0.23450  1.0 1.0
   55    60   -58    49   0.02050 -1.0 2.0
   55    60   -58    49   0.25250  1.0 3.0
   55    60    58    63   0.58650  1.0 1.0
   55    60    58    63   0.12600 -1.0 2.0
   55    60    58    63   0.33350  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    58   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    58   0.15000  1.0 3.0
   60    58    63    64   0.28000  1.0 3.0
   60    58    63    65   0.28000  1.0 3.0
   60    58    63    66   0.28000  1.0 3.0
   61    60    58    49   0.28000  1.0 3.0
   61    60    58    63   0.28000  1.0 3.0
   62    60    58    49   0.28000  1.0 3.0
   62    60    58    63   0.28000  1.0 3.0
   58    49    52    53   0.15000  1.0 3.0
   58    49    52    54   0.15000  1.0 3.0
   58    49    52    59   0.83750  1.0 1.0
   58    49    52    59   0.32200 -1.0 2.0
   58    49    52    59   0.70600  1.0 3.0
   75    72    74    59   3.62500 -1.0 2.0
   75    72    74    51   3.62500 -1.0 2.0
   73    71    72    74   3.62500 -1.0 2.0
   73    71    72    75   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   39    43    42    48   1.10000 -1.0 2.0
   49    51    48    42   1.10000 -1.0 2.0
   67    74    59    52   4.00000 -1.0 2.0
   69    68    67    59   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    73    71    69   4.00000 -1.0 2.0
   74    75    72    71   4.00000 -1.0 2.0
   72    51    74    59   4.00000 -1.0 2.0
END
