* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    164    258     481
    1     0 S   NP   _N1_     1    28.60565    94.18288   -19.79673
    2     1 S   H    _HN1     2     1.02836    30.62839   133.42052
    3     1 S   H    _H1_     3     1.02798    83.60759   -83.98270
    4     1 S   H    _H2_     4     1.02975    98.11980    23.57769
    5     1 S   CT   _CA1     5     1.50109   139.56182   158.92226
    6     5 S   HC   _HA1     6     1.09572   105.26574    45.57794
    7     5 S   CO3  _C1_     7     1.53704   112.42173   -74.68485
    8     7 S   O2Z  _O11     8     1.26289   115.18880   -44.46522
    9     7 S   O2Z  _O12     9     1.26265   114.87222   134.73936
   10     5 S   CT   _CB1    10     1.53018   107.41590   163.46651
   11    10 S   HC   HB11    11     1.09825   109.23858   -51.17434
   12    10 S   HC   HB12    12     1.09834   110.34455    65.23602
   13    10 S   CT   _CG1    13     1.53073   112.93594  -172.41274
   14    13 S   HC   HG11    14     1.09504   110.37621   -61.94074
   15    13 S   HC   HG12    15     1.09624   110.23018    57.33024
   16    13 S   C    _CD1    16     1.51799   111.85981   177.42876
   17    16 S   O    _OE1    17     1.22769   123.03875   -11.67233
   18    16 S   N    _N2_    18     1.38618   112.00845   169.00409
   19    18 S   H    _HN2    19     1.01577   119.25521     0.53887
   20    18 S   CT1  _CA2    20     1.46264   123.00646  -178.73267
   21    20 S   HC   _HA2    21     1.09729   109.32331   -11.56383
   22    20 S   C    _C2_    22     1.53369   108.44372  -127.33316
   23    22 S   O    _O2_    23     1.23019   122.21050  -145.93177
   24    20 S   CT   _CB2    32     1.53411   111.71798   110.31597
   25    24 S   HC   HB21    33     1.09471   109.64903    60.65039
   26    24 S   HC   HB22    34     1.09550   110.17016   178.44116
   27    22 S   N    _N3_    24     1.38501   113.39662    41.36602
   28    27 S   H    _HN3    25     1.01519   118.92429    -0.31466
   29    24 S   S    _SG2    35     1.82488   111.84076   -61.51298
   30    27 S   CT   _CA3    26     1.45437   123.37843   175.14058
   31    30 S   HC   HA31    27     1.09527   109.16294    25.97615
   32    30 S   HC   HA32    28     1.09493   107.14535   142.97242
   33    29 S   CM   _C17    36     1.74854   100.43808   166.64200
   34    30 S   CO3  _C3_    29     1.52926   113.13630   -97.44360
   35    34 S   O2Z  _O31    30     1.26400   115.41300   -44.43457
   36    34 S   O2Z  _O32    31     1.26355   114.97514   136.48956
   37    33 S   CA   _C18    37     1.47893   112.30084   100.45598
   38    33 S   CM   _C16    48     1.35999   124.59984   -82.24137
   39    37 S   CA   _C19    38     1.40251   120.54677   -90.67621
   40    39 S   HA   _H22    39     1.08735   120.63224     0.64921
   41    38 S   CA   _C24    49     1.48769   119.39455  -179.05540
   42    38 S   CA   _C13    60     1.48754   121.43107     0.75121
   43    39 S   CA   _C20    40     1.39559   120.28238  -179.07889
   44    43 S   HA   _H23    41     1.08627   119.93433   179.95577
   45    41 S   CA   _C25    50     1.40174   120.66791   -83.62458
   46    45 S   HA   _H27    51     1.08725   120.65223     0.15451
   47    42 S   CA   _C12    61     1.39950   121.07362   -75.58532
   48    47 S   HA   _H19    62     1.08741   120.71085     0.93962
   49    43 S   CA   _C21    42     1.39399   120.09293     0.06256
   50    49 S   HA   _H24    43     1.08624   119.98486   179.94065
   51    45 S   CA   _C26    52     1.39535   120.18772   179.98022
   52    51 S   HA   _H28    53     1.08626   119.94847  -179.77015
   53    47 S   CA   _C11    63     1.39700   120.18274  -178.87274
   54    53 S   HA   _H18    64     1.08772   119.20732  -179.90935
   55    49 S   CA   _C22    44     1.39397   120.03324    -0.01978
   56    55 S   HA   _H25    45     1.08626   119.98065   179.91844
   57    51 S   CA   _C27    54     1.39412   120.08085     0.24228
   58    57 S   HA   _H29    55     1.08625   119.97955  -180.00000
   59    53 S   CA   _C10    65     1.39861   120.68768     0.40348
   60    37 S   CA   _C23    46     1.40282   120.22315    90.36041
   61    60 S   HA   _H26    47     1.08754   120.56733    -0.77833
   62    57 S   CA   _C28    56     1.39418   120.04367     0.11014
   63    62 S   HA   _H30    57     1.08627   119.96919   179.88809
   64    59 S   CA   _C15    66     1.39579   119.22076    -0.30901
   65    64 S   HA   _H21    67     1.08531   122.05230  -179.89165
   66    59 S   OS   _O33    70     1.36945   115.02853   179.61845
   67    41 S   CA   _C29    58     1.40150   119.91367    96.94570
   68    67 S   HA   _H31    59     1.08737   120.64104    -0.27766
   69    42 S   CA   _C14    68     1.40054   119.86461   106.08712
   70    69 S   HA   _H20    69     1.08776   120.52655    -1.31135
   71    66 S   CT   _C9_    71     1.42809   116.99423  -175.87602
   72    71 S   HC   _H16    72     1.09697   109.52878    58.29968
   73    71 S   HC   _H17    73     1.09433   110.43392   -61.96700
   74    71 S   CT   _C8_    74     1.52728   108.62533   175.82833
   75    74 S   HC   _H14    75     1.09539   109.33138   -53.14253
   76    74 S   HC   _H15    76     1.09457   111.75254  -174.77997
   77    74 S   NP   _N4_    77     1.52479   111.30546    64.81776
   78    77 S   H    _H8_    78     1.03598   105.75066   -39.02473
   79    77 S   CT   _C5_    79     1.51712   112.61364    76.89542
   80    79 S   HC   _H6_    80     1.09304   107.34314   -50.76566
   81    79 S   HC   _H7_    81     1.09392   108.33617    66.20811
   82    77 S   CT   _C6_    86     1.52012   111.86144  -151.54579
   83    82 S   HC   _H9_    87     1.09572   106.78142    54.11238
   84    82 S   HC   _H10    88     1.09384   107.64352   168.91999
   85    79 S   CT   _C4_    82     1.51748   111.79449  -169.93809
   86    85 S   HC   _H3_    83     1.09361   111.93404   -67.97466
   87    85 S   HC   _H4_    84     1.09391   111.49339    54.00360
   88    85 S   HC   _H5_    85     1.09505   109.71409   173.23926
   89    82 S   CT   _C7_    89     1.51729   112.75496   -67.86907
   90    89 S   HC   _H11    90     1.09369   111.82078   -64.44675
   91    89 S   HC   _H12    91     1.09382   111.95944    57.56641
   92    89 S   HC   _H13    92     1.09507   109.61435   176.77621
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  14   2   1   1  12  16   8   4  12  11   6   3   8   4   8   4
   5   3   6   3   7   3   3   2   5   3   9   1   1   3   2   5
   3   8   1   1   1   1   9   5   4  12   5   4  15   8  10   6
   5   7   5   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    60    38    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    43    55    60    61    38    41    45    67    42    47    69  
   35    36  
   36  
    0  
   39    40    43    44    49    55    56    60    61    38    41    42  
   41    45    46    51    62    67    68    42    47    48    53    64    69    70    39    60  
   40    43    44    49    50    55    60    61  
   43    44    49    60  
   45    46    51    52    57    62    63    67    68    42    47    69  
   47    48    53    54    59    64    65    69    70    45    67  
   44    49    50    55    56    60  
   49    50    55  
   46    51    52    57    58    62    67    68  
   51    52    57    67  
   48    53    54    59    64    69    70    66  
   53    54    59    69  
   50    55    56    60    61  
   55    56    60  
   52    57    58    62    63    67  
   57    58    62  
   54    59    64    65    69    66    71  
   59    64    66  
   56    60    61  
   60    61  
   58    62    63    67    68  
   62    63    67  
   64    65    69    70    66    71    72    73    74  
   61  
    0  
   63    67    68  
   67    68  
   65    69    70    66    71  
   69    70    66  
   71    72    73    74    75    76    77    69  
   68  
    0  
   70  
    0  
   72    73    74    75    76    77    78    79    82  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    85    82    83    84    89  
   76    77    78    79    82  
   77    78    79    82  
   78    79    80    81    85    86    87    88    82    83    84    89    90    91    92  
   79    80    81    85    82    83    84    89  
   80    81    85    86    87    88    82    83    84    89  
   81    85    86    87    88    82  
   85    86    87    88    82  
   83    84    89    90    91    92    85  
   84    89    90    91    92  
   89    90    91    92  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   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
   77   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   78   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   320.000  1.460
   33    38   549.000  1.340
   37    39   469.000  1.400
   37    60   469.000  1.400
   39    40   367.000  1.080
   39    43   469.000  1.400
   43    44   367.000  1.080
   43    49   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   38    41   320.000  1.460
   38    42   320.000  1.460
   41    45   469.000  1.400
   41    67   469.000  1.400
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   42    47   469.000  1.400
   42    69   469.000  1.400
   47    48   367.000  1.080
   47    53   469.000  1.400
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    64   469.000  1.400
   59    66   450.000  1.364
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    70   367.000  1.080
   66    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   367.000  1.471
   77    78   434.000  1.010
   77    79   367.000  1.471
   77    82   367.000  1.471
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  127.07000
   29    33    38    65.00000  122.11800
   33    37    39    60.00000  120.93500
   33    37    60    60.00000  120.93500
   33    38    41    60.00000  123.20500
   33    38    42    60.00000  123.20500
   37    39    40    35.00000  120.00000
   37    39    43    63.00000  120.00000
   37    60    55    63.00000  120.00000
   37    60    61    35.00000  120.00000
   39    43    44    35.00000  120.00000
   39    43    49    63.00000  120.00000
   43    39    40    35.00000  120.00000
   43    49    50    35.00000  120.00000
   43    49    55    63.00000  120.00000
   49    43    44    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    60    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    60    61    35.00000  120.00000
   60    37    39    63.00000  120.00000
   60    55    56    35.00000  120.00000
   38    33    37    60.00000  123.20500
   38    41    45    60.00000  120.93500
   38    41    67    60.00000  120.93500
   38    42    47    60.00000  120.93500
   38    42    69    60.00000  120.93500
   41    45    46    35.00000  120.00000
   41    45    51    63.00000  120.00000
   41    67    62    63.00000  120.00000
   41    67    68    35.00000  120.00000
   45    51    52    35.00000  120.00000
   45    51    57    63.00000  120.00000
   51    45    46    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    62    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    62    63    35.00000  120.00000
   57    62    67    63.00000  120.00000
   62    57    58    35.00000  120.00000
   62    67    68    35.00000  120.00000
   67    41    45    63.00000  120.00000
   67    62    63    35.00000  120.00000
   42    38    41    60.00000  122.92000
   42    47    48    35.00000  120.00000
   42    47    53    63.00000  120.00000
   42    69    64    63.00000  120.00000
   42    69    70    35.00000  120.00000
   47    53    54    35.00000  120.00000
   47    53    59    63.00000  120.00000
   53    47    48    35.00000  120.00000
   53    59    64    63.00000  120.00000
   53    59    66    70.00000  120.00000
   59    53    54    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    69    63.00000  120.00000
   59    66    71    75.00000  111.00000
   64    69    70    35.00000  120.00000
   69    42    47    63.00000  120.00000
   69    64    65    35.00000  120.00000
   66    59    64    70.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    50.00000  109.50000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    80.00000  111.20000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    35.00000  109.50000
   74    77    79    75.00000  113.01200
   74    77    82    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    85    80.00000  111.20000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    89    80.00000  111.20000
   79    77    78    35.00000  109.50000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    37.50000  110.70000
   81    79    80    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   82    77    78    35.00000  109.50000
   82    77    79    75.00000  113.01200
   82    89    90    37.50000  110.70000
   82    89    91    37.50000  110.70000
   82    89    92    37.50000  110.70000
   84    82    83    33.00000  107.80000
   89    82    83    37.50000  110.70000
   89    82    84    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    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   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    39  -0.01750  1.0 1.0
   29    33    37    39  -0.32000 -1.0 2.0
   29    33    37    39   0.00600  1.0 3.0
   29    33    37    60  -0.01750  1.0 1.0
   29    33    37    60  -0.32000 -1.0 2.0
   29    33    37    60   0.00600  1.0 3.0
   29    33    38    41   7.00000 -1.0 2.0
   29    33    38    42   7.00000 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    43   3.62500 -1.0 2.0
   33    37    60    55   3.62500 -1.0 2.0
   33    37    60    61   3.62500 -1.0 2.0
   33    38    41    45   0.15800  1.0 1.0
   33    38    41    45   1.85350 -1.0 2.0
   33    38    41    45  -0.48700  1.0 3.0
   33    38    41    67   0.15800  1.0 1.0
   33    38    41    67   1.85350 -1.0 2.0
   33    38    41    67  -0.48700  1.0 3.0
   33    38    42    47   0.15800  1.0 1.0
   33    38    42    47   1.85350 -1.0 2.0
   33    38    42    47  -0.48700  1.0 3.0
   33    38    42    69   0.15800  1.0 1.0
   33    38    42    69   1.85350 -1.0 2.0
   33    38    42    69  -0.48700  1.0 3.0
   37    33    38    41   7.00000 -1.0 2.0
   37    33    38    42   7.00000 -1.0 2.0
   37    39    43    44   3.62500 -1.0 2.0
   37    39    43    49   3.62500 -1.0 2.0
   39    37    60    55   3.62500 -1.0 2.0
   39    37    60    61   3.62500 -1.0 2.0
   39    43    49    50   3.62500 -1.0 2.0
   39    43   -49    55   3.62500 -1.0 2.0
   40    39    43    44   3.62500 -1.0 2.0
   40    39    43    49   3.62500 -1.0 2.0
   43    49    55    56   3.62500 -1.0 2.0
   43    49    55    60   3.62500 -1.0 2.0
   44    43    49    50   3.62500 -1.0 2.0
   44    43    49    55   3.62500 -1.0 2.0
   49    55   -60    37   3.62500 -1.0 2.0
   49    55    60    61   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    60   3.62500 -1.0 2.0
   56    55    60    37   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   60    37    39    40   3.62500 -1.0 2.0
   60    37   -39    43   3.62500 -1.0 2.0
   38    33    37    39   0.15800  1.0 1.0
   38    33    37    39   1.85350 -1.0 2.0
   38    33    37    39  -0.48700  1.0 3.0
   38    33    37    60   0.15800  1.0 1.0
   38    33    37    60   1.85350 -1.0 2.0
   38    33    37    60  -0.48700  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    51   3.62500 -1.0 2.0
   38    41    67    62   3.62500 -1.0 2.0
   38    41    67    68   3.62500 -1.0 2.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    53   3.62500 -1.0 2.0
   38    42    69    64   3.62500 -1.0 2.0
   38    42    69    70   3.62500 -1.0 2.0
   41    38    42    47  -0.01750  1.0 1.0
   41    38    42    47  -0.32000 -1.0 2.0
   41    38    42    47   0.00600  1.0 3.0
   41    38    42    69  -0.01750  1.0 1.0
   41    38    42    69  -0.32000 -1.0 2.0
   41    38    42    69   0.00600  1.0 3.0
   41    45    51    52   3.62500 -1.0 2.0
   41    45    51    57   3.62500 -1.0 2.0
   45    41    67    62   3.62500 -1.0 2.0
   45    41    67    68   3.62500 -1.0 2.0
   45    51    57    58   3.62500 -1.0 2.0
   45    51   -57    62   3.62500 -1.0 2.0
   46    45    51    52   3.62500 -1.0 2.0
   46    45    51    57   3.62500 -1.0 2.0
   51    57    62    63   3.62500 -1.0 2.0
   51    57    62    67   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    62   3.62500 -1.0 2.0
   57    62   -67    41   3.62500 -1.0 2.0
   57    62    67    68   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    67   3.62500 -1.0 2.0
   63    62    67    41   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   67    41    45    46   3.62500 -1.0 2.0
   67    41   -45    51   3.62500 -1.0 2.0
   42    38    41    45  -0.01750  1.0 1.0
   42    38    41    45  -0.32000 -1.0 2.0
   42    38    41    45   0.00600  1.0 3.0
   42    38    41    67  -0.01750  1.0 1.0
   42    38    41    67  -0.32000 -1.0 2.0
   42    38    41    67   0.00600  1.0 3.0
   42    47    53    54   3.62500 -1.0 2.0
   42    47    53    59   3.62500 -1.0 2.0
   47    42    69    64   3.62500 -1.0 2.0
   47    42    69    70   3.62500 -1.0 2.0
   47    53   -59    64   3.62500 -1.0 2.0
   47    53    59    66   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   48    47    53    59   3.62500 -1.0 2.0
   53    59    64    65   3.62500 -1.0 2.0
   53    59    64    69   3.62500 -1.0 2.0
   53    59    66    71   1.63200 -1.0 2.0
   54    53    59    64   3.62500 -1.0 2.0
   54    53    59    66   3.62500 -1.0 2.0
   59    64   -69    42   3.62500 -1.0 2.0
   59    64    69    70   3.62500 -1.0 2.0
   59    66    71    72   0.08050  1.0 3.0
   59    66    71    73   0.08050  1.0 3.0
   59    66    71    74  -0.32850  1.0 1.0
   59    66    71    74  -0.35800 -1.0 2.0
   59    66    71    74   0.33950  1.0 3.0
   64    59    66    71   1.63200 -1.0 2.0
   65    64    69    42   3.62500 -1.0 2.0
   65    64    69    70   3.62500 -1.0 2.0
   69    42    47    48   3.62500 -1.0 2.0
   69    42   -47    53   3.62500 -1.0 2.0
   66    59    64    65   3.62500 -1.0 2.0
   66    59    64    69   3.62500 -1.0 2.0
   66    71    74    75   0.23400  1.0 3.0
   66    71    74    76   0.23400  1.0 3.0
   66    71    74    77   1.69300  1.0 1.0
   66    71    74    77  -0.48450 -1.0 2.0
   71    74    77    78   0.17350  1.0 3.0
   71    74    77    79   0.47100  1.0 1.0
   71    74    77    82   0.47100  1.0 1.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.19200  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.19200  1.0 3.0
   74    77    79    80   0.15000  1.0 3.0
   74    77    79    81   0.15000  1.0 3.0
   74    77    79    85   0.47100  1.0 1.0
   74    77    82    83   0.15000  1.0 3.0
   74    77    82    84   0.15000  1.0 3.0
   74    77    82    89   0.47100  1.0 1.0
   75    74    77    78   0.13050  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    82   0.15000  1.0 3.0
   76    74    77    78   0.13050  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    82   0.15000  1.0 3.0
   77    79    85    86   0.19200  1.0 3.0
   77    79    85    87   0.19200  1.0 3.0
   77    79    85    88   0.19200  1.0 3.0
   77    82    89    90   0.19200  1.0 3.0
   77    82    89    91   0.19200  1.0 3.0
   77    82    89    92   0.19200  1.0 3.0
   78    77    79    80   0.13050  1.0 3.0
   78    77    79    81   0.13050  1.0 3.0
   78    77    79    85   0.17350  1.0 3.0
   78    77    82    83   0.13050  1.0 3.0
   78    77    82    84   0.13050  1.0 3.0
   78    77    82    89   0.17350  1.0 3.0
   79    77    82    83   0.15000  1.0 3.0
   79    77    82    84   0.15000  1.0 3.0
   79    77    82    89   0.47100  1.0 1.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.15000  1.0 3.0
   82    77    79    80   0.15000  1.0 3.0
   82    77    79    81   0.15000  1.0 3.0
   82    77    79    85   0.47100  1.0 1.0
   83    82    89    90   0.15000  1.0 3.0
   83    82    89    91   0.15000  1.0 3.0
   83    82    89    92   0.15000  1.0 3.0
   84    82    89    90   0.15000  1.0 3.0
   84    82    89    91   0.15000  1.0 3.0
   84    82    89    92   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   29    37    33    38  15.00000 -1.0 2.0
   39    60    37    33   4.00000 -1.0 2.0
   43    40    39    37   1.10000 -1.0 2.0
   49    44    43    39   1.10000 -1.0 2.0
   55    50    49    43   1.10000 -1.0 2.0
   60    56    55    49   1.10000 -1.0 2.0
   55    61    60    37   1.10000 -1.0 2.0
   41    42    38    33  15.00000 -1.0 2.0
   45    67    41    38   4.00000 -1.0 2.0
   51    46    45    41   1.10000 -1.0 2.0
   57    52    51    45   1.10000 -1.0 2.0
   62    58    57    51   1.10000 -1.0 2.0
   67    63    62    57   1.10000 -1.0 2.0
   62    68    67    41   1.10000 -1.0 2.0
   47    69    42    38   4.00000 -1.0 2.0
   53    48    47    42   1.10000 -1.0 2.0
   59    54    53    47   1.10000 -1.0 2.0
   64    66    59    53   4.00000 -1.0 2.0
   69    65    64    59   1.10000 -1.0 2.0
   64    70    69    42   1.10000 -1.0 2.0
END
