* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    147    236     425
    1     0 S   NP   _N1_     1    29.35975    94.18885   -24.41886
    2     1 S   H    _HN1     2     1.02944    87.89801   -14.07156
    3     1 S   H    _H1_     3     1.02825    20.61011   144.25455
    4     1 S   H    _H2_     4     1.02798   108.06356  -122.77221
    5     1 S   CT   _CA1     5     1.50153   126.44266    99.91582
    6     5 S   HC   _HA1     6     1.09566   105.12670    74.47916
    7     5 S   CO3  _C1_     7     1.53814   112.61372   -45.69998
    8     7 S   O2Z  _O11     8     1.26396   114.98825   -36.71379
    9     7 S   O2Z  _O12     9     1.26237   115.01187   142.31390
   10     5 S   CT   _CB1    10     1.53048   107.39822  -167.37882
   11    10 S   HC   HB11    11     1.09845   109.50552   -47.15757
   12    10 S   HC   HB12    12     1.09774   110.33624    69.41467
   13    10 S   CT   _CG1    13     1.53011   112.65952  -167.96736
   14    13 S   HC   HG11    14     1.09551   110.85828   -66.79321
   15    13 S   HC   HG12    15     1.09651   109.63701    52.47687
   16    13 S   C    _CD1    16     1.51740   111.82722   173.29165
   17    16 S   O    _OE1    17     1.22777   123.06354    18.32572
   18    16 S   N    _N2_    18     1.38669   112.01717  -162.33376
   19    18 S   H    _HN2    19     1.01554   119.15514     2.58013
   20    18 S   CT1  _CA2    20     1.46106   123.23210   179.68721
   21    20 S   HC   _HA2    21     1.09580   109.01781     9.04944
   22    20 S   C    _C2_    22     1.53650   109.62947  -106.19004
   23    22 S   O    _O2_    23     1.23102   122.01679  -151.69109
   24    20 S   CT   _CB2    32     1.53499   111.90249   131.02848
   25    24 S   HC   HB21    33     1.09661   109.52859    69.58516
   26    24 S   HC   HB22    34     1.09580   110.69237  -173.30877
   27    22 S   N    _N3_    24     1.38239   114.03405    35.72386
   28    27 S   H    _HN3    25     1.01536   119.61925    -3.20186
   29    24 S   S    _SG2    35     1.82729   114.98756   -49.86032
   30    27 S   CT   _CA3    26     1.45282   123.33028   177.18833
   31    30 S   HC   HA31    27     1.09544   107.52823   -64.51561
   32    30 S   HC   HA32    28     1.09552   107.98813    51.95233
   33    29 S   CT   _C14    36     1.82578   100.23816   -64.85183
   34    33 S   HC   _H16    37     1.09445   108.00179   -67.25959
   35    33 S   HC   _H17    38     1.09341   110.34242    48.87770
   36    30 S   CO3  _C3_    29     1.52984   114.00730   173.94751
   37    36 S   O2Z  _O31    30     1.26390   116.06619    -0.21029
   38    36 S   O2Z  _O32    31     1.26415   114.42248   179.84677
   39    33 S   CM   _C13    39     1.51977   109.93537   169.92811
   40    39 S   CA   _C15    40     1.48746   114.05837   -77.41645
   41    39 S   CMA  _C12    51     1.36604   124.24537   106.04791
   42    41 S   OM   _O35    52     1.26922   125.13356    -3.16292
   43    40 S   CA   _C16    41     1.40245   120.54246   109.63804
   44    43 S   HA   _H18    42     1.08752   120.42910     0.13988
   45    41 S   OS   _O34    53     1.41915   111.96365   178.51773
   46    43 S   CA   _C17    43     1.39558   120.35503  -179.53061
   47    46 S   HA   _H19    44     1.08622   119.97650   179.62780
   48    45 S   CT   _C7_    54     1.43589   115.91456  -135.69541
   49    48 S   HC   _H13    55     1.09828   109.96766   -49.73934
   50    46 S   CA   _C18    45     1.39353   120.05827    -0.21489
   51    50 S   HA   _H20    46     1.08626   119.95691   179.86878
   52    48 S   CT   _C6_    56     1.55443   110.88421    71.00460
   53    52 S   HC   _H11    57     1.09759   109.74674    35.51600
   54    52 S   HC   _H12    58     1.09698   109.12271   -80.04567
   55    48 S   CT   _C8_    67     1.55324   106.96968  -164.95045
   56    55 S   HC   _H14    68     1.09744   108.66861    77.47399
   57    55 S   HC   _H15    69     1.09838   109.74518   -37.55163
   58    50 S   CA   _C19    47     1.39357   120.01658     0.07662
   59    58 S   HA   _H21    48     1.08613   119.96936   179.73756
   60    52 S   CT   _C5_    59     1.53981   112.46047   157.96796
   61    60 S   HC   _H3_    60     1.09394   112.62463  -177.10958
   62    40 S   CA   _C20    49     1.40164   120.31617   -70.12080
   63    62 S   HA   _H22    50     1.08733   120.57418    -0.34605
   64    60 S   C3T  _C11    61     1.51194   109.95945    54.64900
   65    64 S   HC   _H6_    62     1.07688   117.98968    51.70950
   66    64 S   C3T  _C10    63     1.49276   106.34615   -89.17483
   67    66 S   HC   _H5_    64     1.07683   121.70294   139.15356
   68    66 S   CT   _C9_    65     1.51197   106.33281     0.04423
   69    68 S   HC   _H4_    66     1.09391   113.94216  -143.38856
   70    64 S   O3T  _O33    76     1.43054   117.33381  -151.75754
   71    60 S   NP   _N4_    70     1.53213   103.85707   -59.32143
   72    71 S   H    _H10    71     1.02975   110.04687   -34.99764
   73    71 S   CT   _C4_    72     1.49622   115.57287  -154.61214
   74    73 S   HC   _H7_    73     1.09030   110.53313   -57.99951
   75    73 S   HC   _H8_    74     1.09300   107.58266    62.84497
   76    73 S   HC   _H9_    75     1.09300   107.58018  -178.84140
  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   6   5   4   3
   9   4   3   2   1   1  11  12   8   2   8   4  10   6   3  14
   8   5   3  15   6   5  12   5   4   3   2  14   8   1   1   9
   5   7   4   8   4   1   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    43    62    41    42    45  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    43    44    46    58    62    63    41    42    45    48  
   43    44    46    47    50    58    59    62    63    41    42    45  
   42    45    48    49    52    55    43    62  
   45    48  
   44    46    47    50    51    58    62    63  
   46    47    50    62  
   48    49    52    53    54    60    68    55    56    57  
   47    50    51    58    59    62  
   50    51    58  
   49    52    53    54    60    61    64    66    68    69    55    56    57    71  
   52    53    54    60    68    55    56    57  
   51    58    59    62    63  
   58    59    62  
   53    54    60    61    64    65    66    68    55    56    57    71    72    73    70  
   54    60    61    64    55    71  
   60    61    64    55    71  
   56    57    71    72    73    70    60    64    66    67    68    69  
   57    71    66    68    69  
   71    66    68    69  
   59    62    63  
   62    63  
   61    64    65    66    67    68    69    71    72    73    74    75    76    70  
   64    65    66    68    71    72    73    70  
   63  
    0  
   65    66    67    68    69    71    72    73    70  
   66    67    68    71    70  
   67    68    69    71    72    73    70  
   68    69    71    70  
   69    71    72    73    74    75    76    70  
   71    72    73    70  
   71  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   71   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   72   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   320.000  1.460
   39    41   465.000  1.376
   40    43   469.000  1.400
   40    62   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    64   275.000  1.510
   60    71   367.000  1.471
   64    65   340.000  1.088
   64    66   260.000  1.509
   64    70   335.000  1.432
   66    67   340.000  1.088
   66    68   275.000  1.510
   66    70   335.000  1.432
   68    69   340.000  1.090
   68    55   268.000  1.529
   68    71   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   71    72   434.000  1.010
   71    73   367.000  1.471
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    65.00000  118.87000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    43    60.00000  120.93500
   39    40    62    60.00000  120.93500
   39    41    42    65.00000  137.10300
   39    41    45    80.00000  120.01400
   40    43    44    35.00000  120.00000
   40    43    46    63.00000  120.00000
   40    62    58    63.00000  120.00000
   40    62    63    35.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   46    43    44    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    58    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    62    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    62    63    35.00000  120.00000
   62    40    43    63.00000  120.00000
   62    58    59    35.00000  120.00000
   41    39    40    60.00000  123.20500
   41    45    48    90.00000  111.18400
   45    41    42    65.00000  121.00000
   45    48    49    35.00000  109.50000
   45    48    52    50.00000  109.50000
   45    48    55    50.00000  109.50000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    60    58.35000  112.70000
   48    55    68    58.35000  112.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   52    48    49    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    64    70.00000  112.37300
   52    60    71    80.00000  111.20000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   60    64    65    40.00000  115.04500
   60    64    66    60.00000  120.94000
   60    64    70    80.00000  116.47100
   60    71    68    75.00000  113.01200
   60    71    72    35.00000  109.50000
   60    71    73    75.00000  113.01200
   64    60    61    45.00000  109.38400
   64    66    67    37.50000  117.20000
   64    66    68    60.00000  120.94000
   64    66    70    15.00000   60.43100
   64    70    66    15.00000   59.14900
   66    64    65    37.50000  117.20000
   66    68    69    45.00000  109.38400
   66    68    55    70.00000  112.37300
   66    68    71    80.00000  111.20000
   68    66    67    40.00000  115.04500
   68    55    56    37.50000  110.70000
   68    55    57    37.50000  110.70000
   68    71    72    35.00000  109.50000
   68    71    73    75.00000  113.01200
   55    48    49    37.50000  110.70000
   55    48    52    58.35000  112.70000
   55    68    69    37.50000  110.70000
   57    55    56    33.00000  107.80000
   71    60    61    35.00000  109.50000
   71    60    64    80.00000  111.20000
   71    68    69    35.00000  109.50000
   71    68    55    80.00000  111.20000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   73    71    72    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   70    64    65    50.00000  114.27700
   70    64    66    15.00000   60.43100
   70    66    67    50.00000  114.27700
   70    66    68    80.00000  116.47100
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    40    43  -0.02500  1.0 1.0
   33    39    40    43  -0.32150 -1.0 2.0
   33    39    40    43  -0.01500  1.0 3.0
   33    39    40    62  -0.02500  1.0 1.0
   33    39    40    62  -0.32150 -1.0 2.0
   33    39    40    62  -0.01500  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    45   7.00000 -1.0 2.0
   34    33    39    40   0.77000  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.77000  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40    43    46   3.62500 -1.0 2.0
   39    40    62    58   3.62500 -1.0 2.0
   39    40    62    63   3.62500 -1.0 2.0
   39    41    45    48  -2.26850  1.0 1.0
   39    41    45    48   3.39050 -1.0 2.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    45   7.00000 -1.0 2.0
   40    43    46    47   3.62500 -1.0 2.0
   40    43    46    50   3.62500 -1.0 2.0
   43    40    62    58   3.62500 -1.0 2.0
   43    40    62    63   3.62500 -1.0 2.0
   43    46    50    51   3.62500 -1.0 2.0
   43    46   -50    58   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    43    46    50   3.62500 -1.0 2.0
   46    50    58    59   3.62500 -1.0 2.0
   46    50    58    62   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    58   3.62500 -1.0 2.0
   50    58   -62    40   3.62500 -1.0 2.0
   50    58    62    63   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    62   3.62500 -1.0 2.0
   59    58    62    40   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   62    40    43    44   3.62500 -1.0 2.0
   62    40   -43    46   3.62500 -1.0 2.0
   41    39    40    43   0.15800  1.0 1.0
   41    39    40    43   1.85350 -1.0 2.0
   41    39    40    43  -0.48700  1.0 3.0
   41    39    40    62   0.15800  1.0 1.0
   41    39    40    62   1.85350 -1.0 2.0
   41    39    40    62  -0.48700  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45    48    52  -0.46850  1.0 1.0
   41    45    48    52   0.09300 -1.0 2.0
   41    45    48    52  -0.12850  1.0 3.0
   41    45    48    55  -0.46850  1.0 1.0
   41    45    48    55   0.09300 -1.0 2.0
   41    45    48    55  -0.12850  1.0 3.0
   42    41    45    48   2.00000 -1.0 2.0
   45    48    52    53   0.23400  1.0 3.0
   45    48    52    54   0.23400  1.0 3.0
   45    48    52    60   0.62750  1.0 1.0
   45    48    52    60  -0.30950 -1.0 2.0
   45    48    52    60   0.27300  1.0 3.0
   45    48    55    68   0.62750  1.0 1.0
   45    48    55    68  -0.30950 -1.0 2.0
   45    48    55    68   0.27300  1.0 3.0
   45    48    55    56   0.23400  1.0 3.0
   45    48    55    57   0.23400  1.0 3.0
   48    52    60    61   0.15000  1.0 3.0
   48    52    60    64   0.47050  1.0 1.0
   48    52    60    64   0.03900 -1.0 2.0
   48    52    60    64   0.20100  1.0 3.0
   48    52    60    71   1.36600  1.0 1.0
   48    52    60    71  -0.11450 -1.0 2.0
   48    52    60    71   0.24250  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    60   0.15000  1.0 3.0
   49    48    55    68   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   52    48    55    68   0.56750  1.0 1.0
   52    48    55    68  -0.07550 -1.0 2.0
   52    48    55    68   0.20000  1.0 3.0
   52    48    55    56   0.15000  1.0 3.0
   52    48    55    57   0.15000  1.0 3.0
   52    60    64    65   0.15000  1.0 3.0
   52    60    64    66   0.07850  1.0 1.0
   52    60    64    66  -0.03950 -1.0 2.0
   52    60    64    66   0.67350  1.0 3.0
   52    60    64    70   0.02550  1.0 1.0
   52    60    64    70  -0.02600 -1.0 2.0
   52    60    64    70   1.20400  1.0 3.0
   52    60   -71    68   0.47100  1.0 1.0
   52    60    71    72   0.17350  1.0 3.0
   52    60    71    73   0.47100  1.0 1.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    64   0.15000  1.0 3.0
   53    52    60    71   0.19200  1.0 3.0
   54    52    60    61   0.15000  1.0 3.0
   54    52    60    64   0.15000  1.0 3.0
   54    52    60    71   0.19200  1.0 3.0
   60    64    66    67   0.15000  1.0 3.0
   60    64   -66    68   0.56750  1.0 1.0
   60    64   -66    68  -0.07550 -1.0 2.0
   60    64   -66    68   0.20000  1.0 3.0
   60    64   -66    70   0.02550  1.0 1.0
   60    64   -66    70  -0.02600 -1.0 2.0
   60    64   -66    70   1.20400  1.0 3.0
   60    64   -70    66   0.06250  1.0 1.0
   60    64   -70    66  -0.01100 -1.0 2.0
   60    64   -70    66   0.28050  1.0 3.0
   60    71    73    74   0.15000  1.0 3.0
   60    71    73    75   0.15000  1.0 3.0
   60    71    73    76   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    70   0.23400  1.0 3.0
   61    60    71    68   0.15000  1.0 3.0
   61    60    71    72   0.13050  1.0 3.0
   61    60    71    73   0.15000  1.0 3.0
   64    60   -71    68   0.47100  1.0 1.0
   64    60    71    72   0.17350  1.0 3.0
   64    60    71    73   0.47100  1.0 1.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    55   0.07850  1.0 1.0
   64    66    68    55  -0.03950 -1.0 2.0
   64    66    68    55   0.67350  1.0 3.0
   64    66   -68    71   1.36600  1.0 1.0
   64    66   -68    71  -0.11450 -1.0 2.0
   64    66   -68    71   0.24250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64   -66    70   0.23400  1.0 3.0
   65    64   -70    66   0.36800  1.0 3.0
   66    68    55    48   0.47050  1.0 1.0
   66    68    55    48   0.03900 -1.0 2.0
   66    68    55    48   0.20100  1.0 3.0
   66    68    55    56   0.15000  1.0 3.0
   66    68    55    57   0.15000  1.0 3.0
   66    68   -71    60   0.47100  1.0 1.0
   66    68    71    72   0.17350  1.0 3.0
   66    68    71    73   0.47100  1.0 1.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    55   0.15000  1.0 3.0
   67    66    68    71   0.19200  1.0 3.0
   67    66   -70    64   0.36800  1.0 3.0
   68    66   -70    64   0.06250  1.0 1.0
   68    66   -70    64  -0.01100 -1.0 2.0
   68    66   -70    64   0.28050  1.0 3.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    73    75   0.15000  1.0 3.0
   68    71    73    76   0.15000  1.0 3.0
   69    68    55    48   0.15000  1.0 3.0
   69    68    55    56   0.15000  1.0 3.0
   69    68    55    57   0.15000  1.0 3.0
   69    68    71    60   0.15000  1.0 3.0
   69    68    71    72   0.13050  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   55    48    52    53   0.15000  1.0 3.0
   55    48    52    54   0.15000  1.0 3.0
   55    48    52    60   0.56750  1.0 1.0
   55    48    52    60  -0.07550 -1.0 2.0
   55    48    52    60   0.20000  1.0 3.0
   55    68   -71    60   0.47100  1.0 1.0
   55    68    71    72   0.17350  1.0 3.0
   55    68    71    73   0.47100  1.0 1.0
   71    60    64    65   0.19200  1.0 3.0
   71    60   -64    66   1.36600  1.0 1.0
   71    60   -64    66  -0.11450 -1.0 2.0
   71    60   -64    66   0.24250  1.0 3.0
   71    60    64    70   1.69300  1.0 1.0
   71    60    64    70  -0.48450 -1.0 2.0
   71    68   -55    48   1.36600  1.0 1.0
   71    68   -55    48  -0.11450 -1.0 2.0
   71    68   -55    48   0.24250  1.0 3.0
   71    68    55    56   0.19200  1.0 3.0
   71    68    55    57   0.19200  1.0 3.0
   72    71    73    74   0.13050  1.0 3.0
   72    71    73    75   0.13050  1.0 3.0
   72    71    73    76   0.13050  1.0 3.0
   70    64   -66    67   0.23400  1.0 3.0
   70    64   -66    68   0.02550  1.0 1.0
   70    64   -66    68  -0.02600 -1.0 2.0
   70    64   -66    68   1.20400  1.0 3.0
   70    66    68    69   0.23400  1.0 3.0
   70    66    68    55   0.02550  1.0 1.0
   70    66    68    55  -0.02600 -1.0 2.0
   70    66    68    55   1.20400  1.0 3.0
   70    66   -68    71   1.69300  1.0 1.0
   70    66   -68    71  -0.48450 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   43    62    40    39   4.00000 -1.0 2.0
   46    44    43    40   1.10000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   58    51    50    46   1.10000 -1.0 2.0
   62    59    58    50   1.10000 -1.0 2.0
   58    63    62    40   1.10000 -1.0 2.0
   42    45    41    39  15.00000 -1.0 2.0
END
