* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    163    267     488
    1     0 S   NP   _N1_     1    28.90973    91.80764   -25.26461
    2     1 S   H    _HN1     2     1.02778   120.22025   -83.27612
    3     1 S   H    _H1_     3     1.02959    91.29924    28.89447
    4     1 S   H    _H2_     4     1.02834    16.96226  -129.61151
    5     1 S   CT   _CA1     5     1.50138   112.08052   141.53556
    6     5 S   HC   _HA1     6     1.09577   105.19593    77.29910
    7     5 S   CO3  _C1_     7     1.53766   112.38854   -42.84025
    8     7 S   O2Z  _O11     8     1.26360   114.98993   -43.31259
    9     7 S   O2Z  _O12     9     1.26238   114.91197   135.72628
   10     5 S   CT   _CB1    10     1.53083   107.41229  -164.83391
   11    10 S   HC   HB11    11     1.09829   109.24673   -50.76404
   12    10 S   HC   HB12    12     1.09816   110.44935    65.76013
   13    10 S   CT   _CG1    13     1.53028   112.72620  -171.85927
   14    13 S   HC   HG11    14     1.09592   110.49015   -65.65239
   15    13 S   HC   HG12    15     1.09661   109.92757    53.58635
   16    13 S   C    _CD1    16     1.51833   112.26978   173.87913
   17    16 S   O    _OE1    17     1.22744   123.25101     1.13056
   18    16 S   N    _N2_    18     1.38649   111.71541  -178.62314
   19    18 S   H    _HN2    19     1.01586   119.10059     0.55001
   20    18 S   CT1  _CA2    20     1.46107   123.29981   178.85910
   21    20 S   HC   _HA2    21     1.09761   109.27349    -2.74524
   22    20 S   C    _C2_    22     1.53514   109.02813  -118.13034
   23    22 S   O    _O2_    23     1.23059   122.09061  -148.71978
   24    20 S   CT   _CB2    32     1.53427   111.76363   119.00497
   25    24 S   HC   HB21    33     1.09565   109.95886    55.59198
   26    24 S   HC   HB22    34     1.09344   109.48860   174.33068
   27    22 S   N    _N3_    24     1.38456   113.64601    39.10742
   28    27 S   H    _HN3    25     1.01485   119.00353    -0.99485
   29    24 S   S    _SG2    35     1.83649   111.17351   -65.12325
   30    27 S   CT   _CA3    26     1.45430   123.32575   174.42051
   31    30 S   HC   HA31    27     1.09529   109.14157    27.35106
   32    30 S   HC   HA32    28     1.09492   107.18801   144.36591
   33    29 S   CT   _C18    36     1.88661   102.02405  -166.00648
   34    33 S   OM   _O37    37     1.32201   107.44626   -52.93190
   35    30 S   CO3  _C3_    29     1.52929   113.01746   -96.01586
   36    35 S   O2Z  _O31    30     1.26409   115.36415   -45.90628
   37    35 S   O2Z  _O32    31     1.26346   115.01314   134.94271
   38    33 S   CM   _C19    38     1.53340   111.13694  -169.74132
   39    33 S   CT   _C17    70     1.57883   111.11245    66.68034
   40    39 S   HC   _H4_    71     1.09952   107.95002   -79.82895
   41    38 S   CMA  _C21    39     1.36446   123.72390  -157.83235
   42    41 S   OM   _O34    40     1.26722   130.77791   178.39294
   43    39 S   NP   _N5_    72     1.56599   110.87385    31.79863
   44    43 S   H    _H16    73     1.02838   103.37861   -41.70460
   45    38 S   C    _C20    84     1.50608   119.24850    24.96618
   46    45 S   O    _O33    85     1.22745   122.12299    60.27066
   47    41 S   CT   _C22    41     1.55171   116.92889    -4.55961
   48    43 S   CT   _C24    74     1.50741   117.69952    72.59375
   49    48 S   HC   _H17    75     1.09141   109.81700    75.53189
   50    48 S   HC   _H18    76     1.09408   107.33997  -165.31354
   51    48 S   HC   _H19    77     1.08804   109.43490   -47.08486
   52    43 S   CT   _C25    78     1.50467   113.45406  -154.94038
   53    52 S   HC   _H20    79     1.09212   108.85088   -71.74482
   54    52 S   HC   _H21    80     1.09281   108.45820    49.60486
   55    52 S   HC   _H22    81     1.09346   107.88711   168.24096
   56    45 S   N    _N4_    86     1.37435   114.17316  -118.04297
   57    56 S   H    _H13    87     1.01374   121.90356    -4.98582
   58    56 S   H    _H14    88     1.01281   120.42740   179.60189
   59    47 S   CO4  _C23    42     1.53900   110.06751   -85.37788
   60    59 S   O    _O35    43     1.23187   121.66578   -48.52643
   61    47 S   OH   _O36    82     1.44657   111.96420   162.52351
   62    61 S   HO   _H15    83     0.97510   105.80906    34.01961
   63    59 S   CA   _C13    44     1.49650   119.78886   134.65537
   64    63 S   CA   _C14    45     1.40037   119.43440    17.58691
   65    63 S   CA   _C12    56     1.40870   120.75417  -163.39288
   66    64 S   CA   _C5_    46     1.41929   119.33643   174.59836
   67    65 S   OH   _O38    57     1.37692   120.41019     2.24420
   68    67 S   HO   _H23    58     0.97283   109.73095    -0.99012
   69    64 S   CT   _C15    65     1.50992   119.40052    -3.25347
   70    69 S   HC   _H11    66     1.09751   108.01179    88.32949
   71    69 S   HC   _H12    67     1.09374   110.96547  -154.83850
   72    66 S   CA   _C6_    47     1.43117   120.58736     7.27850
   73    66 S   CT   _C4_    61     1.51686   119.50759  -174.21192
   74    73 S   HC   _H5_    62     1.09402   110.10186   -92.77020
   75    73 S   HC   _H6_    63     1.09402   112.07033    29.07572
   76    73 S   HC   _H7_    64     1.09409   111.72650   145.14735
   77    47 S   CT   _C16    68     1.53098   112.80226    43.35153
   78    77 S   HC   _H3_    69     1.09563   106.20013    80.36327
   79    72 S   CA   _C7_    48     1.41863   122.17775   174.08659
   80    79 S   HA   _H8_    49     1.08753   121.10175    -1.64378
   81    79 S   CA   _C8_    50     1.39368   122.74745   179.31672
   82    81 S   HA   _H9_    51     1.08600   120.08041  -180.00000
   83    81 S   CA   _C9_    52     1.38081   119.60564     0.16071
   84    83 S   HA   _H10    53     1.08596   119.46196  -179.88297
   85    83 S   CA   _C10    54     1.39545   119.30355     0.48537
   86    72 S   CA   _C11    55     1.42078   119.87806    -5.50655
   87    85 S   OH   _O39    59     1.37451   117.27849   179.67135
   88    87 S   HO   _H24    60     0.97149   109.41579    -0.58148
  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  14  22   8  13   5  13   9   5   3  12   8
   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15
  10  14   4   1   6   3   2  12   5   2   1   1   1   1   7   4
   6   3   5   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    77    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    69    77    78    39    40    43    44    48    52    45    46    56  
   38    41    77    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    59    77    39    40    43    61    45    46    56    57    58  
   40    43    44    48    49    50    51    52    53    54    55    61    45    41    47    59    64    69    70    71    77    78  
   43    44    48    52    47    69    77    78  
   42    47    59    60    63    69    77    78    61    62    45    46    56  
   47    59    77    61    45  
   44    48    49    50    51    52    53    54    55    47    69    77    78  
   48    49    50    51    52    53    54    55    77  
   46    56    57    58    47  
   56    57    58  
   59    60    63    64    65    69    70    71    77    78    61    62  
   49    50    51    52    53    54    55    77  
   50    51    52  
   51    52  
   52  
   53    54    55    77  
   54    55  
   55  
    0  
   57    58  
   58  
    0  
   60    63    64    66    86    65    67    69    77    78    61    62  
   63    64    65    77    61  
   62    63    69    77    78  
   77  
   64    66    72    85    86    65    67    68    73    69    70    71    77  
   66    72    79    86    65    67    73    74    75    76    69    70    71    77    78  
   67    68    87    69    66    72    79    83    85    86  
   72    79    80    81    85    86    73    74    75    76    69    70    71    77  
   68    72    85    86  
   86  
   70    71    77    78    72    73  
   71    77    78  
   77    78  
   79    80    81    82    83    85    86    87    73    74    75    76  
   74    75    76    79    86  
   75    76  
   76  
    0  
   78  
    0  
   80    81    82    83    84    85    86  
   81    82    83    86  
   82    83    84    85    86    87  
   83    84    85  
   84    85    86    87    88  
   85    86    87  
   86    87    88  
   87    88  
   88  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.090000   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   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   410.000  1.444
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    59   317.000  1.522
   47    77   268.000  1.529
   47    61   320.000  1.410
   59    60   570.000  1.229
   59    63   310.000  1.470
   63    64   469.000  1.400
   63    65   469.000  1.400
   64    66   469.000  1.400
   64    69   317.000  1.510
   66    72   469.000  1.400
   66    73   317.000  1.510
   72    79   469.000  1.400
   72    86   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   469.000  1.400
   85    87   450.000  1.364
   86    65   469.000  1.400
   65    67   450.000  1.364
   67    68   553.000  0.945
   87    88   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    48   367.000  1.471
   43    52   367.000  1.471
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   61    62   553.000  0.945
   45    46   570.000  1.229
   45    56   490.000  1.335
   56    57   434.000  1.010
   56    58   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    70.00000  119.70000
   33    39    77    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  125.30000
   38    45    56    80.00000  111.56200
   41    47    59    70.00000  109.06800
   41    47    77    70.00000  112.02700
   41    47    61    90.00000  110.39200
   47    41    42    85.00000  112.85300
   47    59    60    80.00000  120.40000
   47    59    63    65.00000  115.47100
   47    77    69    58.35000  112.70000
   47    77    78    37.50000  110.70000
   47    77    39    58.35000  112.70000
   47    61    62    55.00000  108.50000
   59    63    64    60.00000  119.52600
   59    63    65    60.00000  119.52600
   63    59    60    75.00000  123.78400
   63    64    66    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    86    63.00000  120.00000
   63    65    67    70.00000  120.00000
   64    66    72    63.00000  120.00000
   64    66    73    70.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    77    70.00000  112.17500
   66    72    79    63.00000  120.00000
   66    72    86    63.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   72    79    80    35.00000  120.00000
   72    79    81    63.00000  120.00000
   72    86    85    63.00000  120.00000
   72    86    65    63.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    63.00000  120.00000
   83    85    87    70.00000  120.00000
   85    83    84    35.00000  120.00000
   85    86    65    63.00000  120.00000
   85    87    88    35.00000  113.00000
   86    72    79    63.00000  120.00000
   86    65    67    70.00000  120.00000
   65    63    64    63.00000  120.00000
   65    67    68    35.00000  113.00000
   87    85    86    70.00000  120.00000
   73    66    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   69    64    66    70.00000  120.00000
   69    77    78    37.50000  110.70000
   69    77    39    58.35000  112.70000
   71    69    70    33.00000  107.80000
   77    47    59    63.00000  111.10000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    39    40    37.50000  110.70000
   77    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    77    78    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    48    75.00000  113.01200
   39    43    52    75.00000  113.01200
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   48    43    44    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    48    75.00000  113.01200
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   61    47    59    90.00000  109.61100
   61    47    77    50.00000  109.50000
   45    38    41    60.00000  120.04000
   45    56    57    35.00000  119.80000
   45    56    58    35.00000  119.80000
   56    45    46    80.00000  122.90000
   58    56    57    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    77   0.44750  1.0 1.0
   29    33    39    77  -0.17800 -1.0 2.0
   29    33    39    77   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    56   1.59650  1.0 1.0
   33    38    45    56   0.42750 -1.0 2.0
   33    38    45    56  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    48   0.47100  1.0 1.0
   33    39    43    52   0.47100  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    77   0.62750  1.0 1.0
   34    33    39    77  -0.30950 -1.0 2.0
   34    33    39    77   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    77   0.34400  1.0 1.0
   38    33    39    77   0.09450 -1.0 2.0
   38    33    39    77   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    47    59  -0.51250  1.0 1.0
   38    41    47    59  -0.88800 -1.0 2.0
   38    41    47    59   0.08850  1.0 3.0
   38    41   -47    77   0.09850  1.0 1.0
   38    41   -47    77   0.15250 -1.0 2.0
   38    41   -47    77  -0.50650  1.0 3.0
   38    41    47    61   0.67800  1.0 1.0
   38    41    47    61   0.47050 -1.0 2.0
   38    41    47    61  -0.62500  1.0 3.0
   38    45    56    57   2.56700 -1.0 2.0
   38    45    56    58   2.56700 -1.0 2.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    56   0.49500  1.0 1.0
   41    38    45    56   1.31600 -1.0 2.0
   41    38    45    56  -0.02300  1.0 3.0
   41    47    59    60   0.30150 -1.0 2.0
   41    47    59    63   0.65300  1.0 1.0
   41    47    59    63  -0.03850 -1.0 2.0
   41    47    59    63   0.33900  1.0 3.0
   41    47    77    69   0.34400  1.0 1.0
   41    47    77    69   0.09450 -1.0 2.0
   41    47    77    69   0.11100  1.0 3.0
   41    47    77    78   0.15000  1.0 3.0
   41    47    77    39   0.34400  1.0 1.0
   41    47    77    39   0.09450 -1.0 2.0
   41    47    77    39   0.11100  1.0 3.0
   41    47    61    62  -0.07800  1.0 1.0
   41    47    61    62  -0.21500 -1.0 2.0
   41    47    61    62  -0.03150  1.0 3.0
   42    41    47    59   0.09700  1.0 1.0
   42    41    47    59   0.15600 -1.0 2.0
   42    41    47    59  -0.50800  1.0 3.0
   42    41    47    77   0.09700  1.0 1.0
   42    41    47    77   0.15600 -1.0 2.0
   42    41    47    77  -0.50800  1.0 3.0
   42    41    47    61   0.09700  1.0 1.0
   42    41    47    61   0.15600 -1.0 2.0
   42    41    47    61  -0.50800  1.0 3.0
   47    59    63    64   2.26350  1.0 1.0
   47    59    63    64   0.76750 -1.0 2.0
   47    59    63    64   0.22500  1.0 3.0
   47    59    63    65   2.26350  1.0 1.0
   47    59    63    65   0.76750 -1.0 2.0
   47    59    63    65   0.22500  1.0 3.0
   47    77   -39    33   0.56750  1.0 1.0
   47    77   -39    33  -0.07550 -1.0 2.0
   47    77   -39    33   0.20000  1.0 3.0
   47    77    39    40   0.15000  1.0 3.0
   47    77    39    43   1.36600  1.0 1.0
   47    77    39    43  -0.11450 -1.0 2.0
   47    77    39    43   0.24250  1.0 3.0
   59    47    77    69  -0.95700  1.0 1.0
   59    47    77    69  -0.18200 -1.0 2.0
   59    47    77    69   0.29450  1.0 3.0
   59    47    77    78  -0.11250  1.0 3.0
   59    47    77    39  -0.95700  1.0 1.0
   59    47    77    39  -0.18200 -1.0 2.0
   59    47    77    39   0.29450  1.0 3.0
   59    47    61    62   0.91850  1.0 1.0
   59    47    61    62   0.57950  1.0 3.0
   59    63    64    66   3.62500 -1.0 2.0
   59    63   -64    69   3.62500 -1.0 2.0
   59    63    65    86   3.62500 -1.0 2.0
   59    63    65    67   3.62500 -1.0 2.0
   60    59    63    64   1.05000 -1.0 2.0
   60    59    63    65   1.05000 -1.0 2.0
   63    64    66    72   3.62500 -1.0 2.0
   63    64    66    73   3.62500 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.00000  1.0 1.0
   63    64    69    77   0.04150 -1.0 2.0
   63    65    67    68   0.84100 -1.0 2.0
   64    63    65    86   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   64    66    72    79   3.62500 -1.0 2.0
   64    66   -72    86   3.62500 -1.0 2.0
   64    66    73    74   0.00000  1.0 1.0
   64    66    73    75   0.00000  1.0 1.0
   64    66    73    76   0.00000  1.0 1.0
   64    69   -77    47  -0.03700  1.0 1.0
   64    69   -77    47   0.37200 -1.0 2.0
   64    69   -77    47  -0.47300  1.0 3.0
   64    69    77    78   0.43200  1.0 3.0
   64    69    77    39  -0.03700  1.0 1.0
   64    69    77    39   0.37200 -1.0 2.0
   64    69    77    39  -0.47300  1.0 3.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71   0.00000  1.0 1.0
   66    64    69    77   0.04150 -1.0 2.0
   66    72    79    80   3.62500 -1.0 2.0
   66    72    79    81   3.62500 -1.0 2.0
   66    72    86    85   3.62500 -1.0 2.0
   66    72    86    65   3.62500 -1.0 2.0
   72    66    73    74   0.00000  1.0 1.0
   72    66    73    75   0.00000  1.0 1.0
   72    66    73    76   0.00000  1.0 1.0
   72    79    81    82   3.62500 -1.0 2.0
   72    79    81    83   3.62500 -1.0 2.0
   72    86   -65    63   3.62500 -1.0 2.0
   72    86    65    67   3.62500 -1.0 2.0
   79    72    86    85   3.62500 -1.0 2.0
   79    72    86    65   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81   -83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   81    83    85    87   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   83    85   -86    72   3.62500 -1.0 2.0
   83    85    86    65   3.62500 -1.0 2.0
   83    85    87    88   0.84100 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    86    65    63   3.62500 -1.0 2.0
   85    86    65    67   3.62500 -1.0 2.0
   86    72    79    80   3.62500 -1.0 2.0
   86    72   -79    81   3.62500 -1.0 2.0
   86    85    87    88   0.84100 -1.0 2.0
   86    65    67    68   0.84100 -1.0 2.0
   65    63   -64    66   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   87    85    86    72   3.62500 -1.0 2.0
   87    85    86    65   3.62500 -1.0 2.0
   73    66    72    79   3.62500 -1.0 2.0
   73    66    72    86   3.62500 -1.0 2.0
   69    64    66    72   3.62500 -1.0 2.0
   69    64    66    73   3.62500 -1.0 2.0
   69    77    39    33   0.56750  1.0 1.0
   69    77    39    33  -0.07550 -1.0 2.0
   69    77    39    33   0.20000  1.0 3.0
   69    77    39    40   0.15000  1.0 3.0
   69    77    39    43   1.36600  1.0 1.0
   69    77    39    43  -0.11450 -1.0 2.0
   69    77    39    43   0.24250  1.0 3.0
   70    69    77    47   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    39   0.15000  1.0 3.0
   71    69    77    47   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    39   0.15000  1.0 3.0
   77    47    59    60   0.30150 -1.0 2.0
   77    47   -59    63   0.05850 -1.0 2.0
   77    47   -59    63   0.17250  1.0 3.0
   77    47    61    62  -0.11600  1.0 1.0
   77    47    61    62  -0.09450 -1.0 2.0
   77    47    61    62   0.21250  1.0 3.0
   77    39    43    44   0.17350  1.0 3.0
   77    39    43    48   0.47100  1.0 1.0
   77    39    43    52   0.47100  1.0 1.0
   78    77    39    33   0.15000  1.0 3.0
   78    77    39    40   0.15000  1.0 3.0
   78    77    39    43   0.19200  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   39    43    48    49   0.15000  1.0 3.0
   39    43    48    50   0.15000  1.0 3.0
   39    43    48    51   0.15000  1.0 3.0
   39    43    52    53   0.15000  1.0 3.0
   39    43    52    54   0.15000  1.0 3.0
   39    43    52    55   0.15000  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   40    39    43    52   0.15000  1.0 3.0
   44    43    48    49   0.13050  1.0 3.0
   44    43    48    50   0.13050  1.0 3.0
   44    43    48    51   0.13050  1.0 3.0
   44    43    52    53   0.13050  1.0 3.0
   44    43    52    54   0.13050  1.0 3.0
   44    43    52    55   0.13050  1.0 3.0
   48    43    52    53   0.15000  1.0 3.0
   48    43    52    54   0.15000  1.0 3.0
   48    43    52    55   0.15000  1.0 3.0
   52    43    48    49   0.15000  1.0 3.0
   52    43    48    50   0.15000  1.0 3.0
   52    43    48    51   0.15000  1.0 3.0
   61    47    59    60   0.30150 -1.0 2.0
   61    47    59    63   0.65300  1.0 1.0
   61    47    59    63  -0.03850 -1.0 2.0
   61    47    59    63   0.33900  1.0 3.0
   61    47    77    69   0.86500  1.0 1.0
   61    47    77    69  -0.17500 -1.0 2.0
   61    47    77    69   0.20800  1.0 3.0
   61    47    77    78   0.23400  1.0 3.0
   61    47    77    39   0.86500  1.0 1.0
   61    47    77    39  -0.17500 -1.0 2.0
   61    47    77    39   0.20800  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    56    57   2.45000 -1.0 2.0
   46    45    56    58   2.45000 -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    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    63    59    60  10.50000 -1.0 2.0
   64    65    63    59   4.00000 -1.0 2.0
   66    69    64    63   4.00000 -1.0 2.0
   72    73    66    64   4.00000 -1.0 2.0
   79    86    72    66   4.00000 -1.0 2.0
   81    80    79    72   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   86    87    85    83   4.00000 -1.0 2.0
   85    65    86    72   4.00000 -1.0 2.0
   86    67    65    63   4.00000 -1.0 2.0
   38    56    45    46  10.50000 -1.0 2.0
   58    45    56    57   1.00000 -1.0 2.0
END
