* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    162    264     483
    1     0 S   NP   _N1_     1    29.01064    97.31787   -24.38416
    2     1 S   H    _HN1     2     1.02812   119.22882  -113.80722
    3     1 S   H    _H1_     3     1.02943    68.56458   -14.14732
    4     1 S   H    _H2_     4     1.02821    38.62979   164.05436
    5     1 S   CT   _CA1     5     1.50154   126.07826    86.11582
    6     5 S   HC   _HA1     6     1.09574   105.14235   100.14953
    7     5 S   CO3  _C1_     7     1.53779   112.28407   -20.07729
    8     7 S   O2Z  _O11     8     1.26389   115.01347   -46.17730
    9     7 S   O2Z  _O12     9     1.26218   114.96344   132.55162
   10     5 S   CT   _CB1    10     1.53021   107.33791  -141.92180
   11    10 S   HC   HB11    11     1.09859   109.41233   -48.50047
   12    10 S   HC   HB12    12     1.09808   110.49373    68.08987
   13    10 S   CT   _CG1    13     1.53041   112.62071  -169.32191
   14    13 S   HC   HG11    14     1.09560   110.90723   -67.89468
   15    13 S   HC   HG12    15     1.09655   109.62228    51.34676
   16    13 S   C    _CD1    16     1.51809   111.40988   172.11181
   17    16 S   O    _OE1    17     1.22810   122.96482    22.34709
   18    16 S   N    _N2_    18     1.38499   112.16560  -157.79161
   19    18 S   H    _HN2    19     1.01764   119.13106    -1.72805
   20    18 S   CT1  _CA2    20     1.46150   123.53074   177.82291
   21    20 S   HC   _HA2    21     1.09739   108.87363    16.20452
   22    20 S   C    _C2_    22     1.53862   110.47567   -99.87365
   23    22 S   O    _O2_    23     1.23166   121.76182  -157.96924
   24    20 S   CT   _CB2    32     1.53469   111.27546   137.76367
   25    24 S   HC   HB21    33     1.09355   109.28093    60.32067
   26    24 S   HC   HB22    34     1.09467   109.97753   178.50224
   27    22 S   N    _N3_    24     1.38179   114.52918    29.23901
   28    27 S   H    _HN3    25     1.01473   119.61590    -4.67374
   29    24 S   S    _SG2    35     1.83288   111.33672   -62.03584
   30    27 S   CT   _CA3    26     1.45270   123.37407   177.01672
   31    30 S   HC   HA31    27     1.09552   107.67963   -60.10690
   32    30 S   HC   HA32    28     1.09554   107.80702    56.32504
   33    29 S   CT   _C20    36     1.87189   101.66991   155.60582
   34    33 S   OM   _O38    37     1.32401   106.72526  -175.84626
   35    30 S   CO3  _C3_    29     1.53009   114.04496   178.13659
   36    35 S   O2Z  _O31    30     1.26399   116.12911    -1.43953
   37    35 S   O2Z  _O32    31     1.26440   114.42326   178.58073
   38    33 S   CM   _C21    38     1.52215   111.15673   -59.92796
   39    33 S   CT   _C19    71     1.57478   108.29443    65.56664
   40    39 S   HC   _H4_    72     1.09425   108.23733   -40.42005
   41    38 S   CMA  _C22    39     1.36318   126.91172   128.00555
   42    41 S   OM   _O36    40     1.27401   127.73119  -178.52435
   43    39 S   NP   _N5_    73     1.55607   109.30205    72.26249
   44    43 S   H    _H16    74     1.03022   101.41505   -17.80712
   45    38 S   C    _C23    83     1.51129   118.01808   -51.46623
   46    45 S   O    _O37    84     1.22709   122.59196    84.36809
   47    41 S   CT   _C16    41     1.58416   118.47254    -0.25641
   48    47 S   OM   _O39    42     1.33171   111.63390   144.38507
   49    43 S   CT   _C24    75     1.50639   118.72045    94.13556
   50    49 S   HC   _H17    76     1.09022   109.87001    88.49378
   51    49 S   HC   _H18    77     1.09422   107.16135  -153.00360
   52    49 S   HC   _H19    78     1.09050   110.07909   -34.01892
   53    43 S   CT   _C25    79     1.50203   114.24081  -129.42430
   54    53 S   HC   _H20    80     1.08989   109.22425   -70.50664
   55    53 S   HC   _H21    81     1.09294   108.46188    50.68533
   56    53 S   HC   _H22    82     1.09345   107.92476   169.28204
   57    45 S   N    _N4_    85     1.37499   113.13189   -96.38028
   58    57 S   H    _H14    86     1.01415   121.37581     0.03956
   59    57 S   H    _H15    87     1.01225   120.73809  -179.31844
   60    47 S   CO4  _C15    43     1.55458   108.71239   -99.18660
   61    60 S   O    _O35    44     1.23265   122.13836   -25.70527
   62    60 S   CA   _C7_    45     1.50895   120.30811   154.97605
   63    62 S   CA   _C6_    46     1.39498   120.22200    -1.75480
   64    63 S   CA   _C5_    47     1.42808   119.56439   176.11113
   65    63 S   CT   _C18    66     1.51351   120.27868    -2.12246
   66    65 S   HC   _H12    67     1.09807   107.79220    98.32182
   67    65 S   HC   _H13    68     1.08753   109.22382  -147.53159
   68    64 S   CA   _C10    48     1.44935   121.80717    10.18773
   69    64 S   CT   _C4_    62     1.51798   117.38005  -167.94775
   70    69 S   HC   _H5_    63     1.09344   110.71424   -96.86367
   71    69 S   HC   _H6_    64     1.09409   112.54098    24.31766
   72    69 S   HC   _H7_    65     1.09378   110.78321   138.96668
   73    47 S   CT   _C17    69     1.56832   113.53513    22.84774
   74    73 S   HC   _H3_    70     1.10098   108.88609    68.13480
   75    68 S   CA   _C9_    49     1.42719   117.07201   -10.92092
   76    75 S   CA   _C14    50     1.43055   118.56415  -175.04141
   77    62 S   CA   _C8_    59     1.40920   121.05530   177.70015
   78    76 S   CA   _C13    51     1.39077   123.04549    -2.02912
   79    78 S   HA   _H9_    52     1.08594   121.43876  -179.80820
   80    76 S   OH   _O33    57     1.37608   120.46315   178.06083
   81    80 S   HO   _H10    58     0.97146   109.73120   179.44539
   82    77 S   OH   _O34    60     1.37901   120.09018    -0.74125
   83    82 S   HO   _H11    61     0.97262   109.93359     0.14537
   84    78 S   CA   _C12    53     1.37627   119.02041    -1.60766
   85    84 S   HA   _H8_    54     1.08772   118.83590  -177.05789
   86    68 S   CA   _C11    55     1.44413   126.70154   168.90197
   87    86 S   Cl   Cl1_    56     1.74033   124.19279   -10.16999
  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  12   5  13   9   5   3  11   6
   8   3   2   1   4   2   1   1   2   1   1  10   4  13  15  15
   7   3   2  14   5   2   1   1   1   1  11   9   5   7   4   2
   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    73    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    65    73    74    39    40    43    44    49    53    45    46    57  
   38    41    73    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    48    60    73    39    40    43    45    46    57    58    59  
   40    43    44    49    50    51    52    53    54    55    56    45    41    47    48    60    63    65    66    67    73    74  
   43    44    49    53    47    65    73    74  
   42    47    48    60    61    62    65    73    74    45    46    57  
   47    48    60    73    45  
   44    49    50    51    52    53    54    55    56    47    65    73    74  
   49    50    51    52    53    54    55    56    73  
   46    57    58    59    47  
   57    58    59  
   48    60    61    62    63    77    65    66    67    73    74  
   60    61    62    65    73    74  
   50    51    52    53    54    55    56    73  
   51    52    53  
   52    53  
   53  
   54    55    56    73  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    62    63    64    75    77    82    65    73    74  
   62    63    77    73  
   63    64    68    75    76    77    82    83    69    65    66    67    73  
   64    68    75    86    77    82    69    70    71    72    65    66    67    73    74  
   68    75    76    84    86    87    77    69    70    71    72    65    66    67    73  
   66    67    73    74    68    69    77  
   67    73    74  
   73    74  
   75    76    78    84    85    86    87    80    77    82    69    70    71    72  
   70    71    72    75    86  
   71    72  
   72  
    0  
   74  
    0  
   76    78    79    84    86    87    80    81    77    82    83  
   78    79    84    85    86    80    81    77    82  
   82    83    78    80    86  
   79    84    85    86    87    80    81  
   84    85    86    80  
   81    84  
    0  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    48   570.000  1.307
   47    60   317.000  1.522
   47    73   268.000  1.529
   60    61   570.000  1.229
   60    62   310.000  1.470
   62    63   469.000  1.400
   62    77   469.000  1.400
   63    64   469.000  1.400
   63    65   317.000  1.510
   64    68   469.000  1.400
   64    69   317.000  1.510
   68    75   469.000  1.400
   68    86   469.000  1.400
   75    76   469.000  1.400
   75    77   469.000  1.400
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   78    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   300.000  1.725
   80    81   553.000  0.945
   77    82   450.000  1.364
   82    83   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    49   367.000  1.471
   43    53   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   570.000  1.229
   45    57   490.000  1.335
   57    58   434.000  1.010
   57    59   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    73    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    57    80.00000  111.56200
   41    47    48    85.00000  110.90400
   41    47    60    70.00000  109.06800
   41    47    73    70.00000  112.02700
   47    41    42    85.00000  112.85300
   47    60    61    80.00000  120.40000
   47    60    62    65.00000  115.47100
   47    73    65    58.35000  112.70000
   47    73    74    37.50000  110.70000
   47    73    39    58.35000  112.70000
   60    47    48    90.00000  108.74100
   60    62    63    60.00000  119.52600
   60    62    77    60.00000  119.52600
   62    60    61    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    82    70.00000  120.00000
   63    64    68    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    73    70.00000  112.17500
   64    68    75    63.00000  120.00000
   64    68    86    63.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   68    75    76    63.00000  120.00000
   68    75    77    63.00000  120.00000
   68    86    84    63.00000  120.00000
   68    86    87    75.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    82    70.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    84    63.00000  120.00000
   76    80    81    35.00000  113.00000
   78    84    85    35.00000  120.00000
   78    84    86    63.00000  120.00000
   84    78    79    35.00000  120.00000
   84    86    87    75.00000  120.00000
   86    68    75    63.00000  120.00000
   86    84    85    35.00000  120.00000
   80    76    78    70.00000  120.00000
   77    62    63    63.00000  120.00000
   77    75    76    63.00000  120.00000
   77    82    83    35.00000  113.00000
   69    64    68    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    73    74    37.50000  110.70000
   65    73    39    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    47    48    50.00000  109.50000
   73    47    60    63.00000  111.10000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    39    40    37.50000  110.70000
   73    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    73    74    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    49    75.00000  113.01200
   39    43    53    75.00000  113.01200
   43    39    40    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   43    53    54    35.00000  109.50000
   43    53    55    35.00000  109.50000
   43    53    56    35.00000  109.50000
   49    43    44    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    43    44    35.00000  109.50000
   53    43    49    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    38    41    60.00000  120.04000
   45    57    58    35.00000  119.80000
   45    57    59    35.00000  119.80000
   57    45    46    80.00000  122.90000
   59    57    58    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    73   0.44750  1.0 1.0
   29    33    39    73  -0.17800 -1.0 2.0
   29    33    39    73   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    57   1.59650  1.0 1.0
   33    38    45    57   0.42750 -1.0 2.0
   33    38    45    57  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    49   0.47100  1.0 1.0
   33    39    43    53   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    73   0.62750  1.0 1.0
   34    33    39    73  -0.30950 -1.0 2.0
   34    33    39    73   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    73   0.34400  1.0 1.0
   38    33    39    73   0.09450 -1.0 2.0
   38    33    39    73   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    48   0.39000  1.0 1.0
   38    41    47    48  -0.05800 -1.0 2.0
   38    41    47    48  -0.55150  1.0 3.0
   38    41    47    60  -0.51250  1.0 1.0
   38    41    47    60  -0.88800 -1.0 2.0
   38    41    47    60   0.08850  1.0 3.0
   38    41   -47    73   0.09850  1.0 1.0
   38    41   -47    73   0.15250 -1.0 2.0
   38    41   -47    73  -0.50650  1.0 3.0
   38    45    57    58   2.56700 -1.0 2.0
   38    45    57    59   2.56700 -1.0 2.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    57   0.49500  1.0 1.0
   41    38    45    57   1.31600 -1.0 2.0
   41    38    45    57  -0.02300  1.0 3.0
   41    47    60    61   0.30150 -1.0 2.0
   41    47    60    62   0.65300  1.0 1.0
   41    47    60    62  -0.03850 -1.0 2.0
   41    47    60    62   0.33900  1.0 3.0
   41    47    73    65   0.34400  1.0 1.0
   41    47    73    65   0.09450 -1.0 2.0
   41    47    73    65   0.11100  1.0 3.0
   41    47    73    74   0.15000  1.0 3.0
   41    47    73    39   0.34400  1.0 1.0
   41    47    73    39   0.09450 -1.0 2.0
   41    47    73    39   0.11100  1.0 3.0
   42    41    47    48   0.09700  1.0 1.0
   42    41    47    48   0.15600 -1.0 2.0
   42    41    47    48  -0.50800  1.0 3.0
   42    41    47    60   0.09700  1.0 1.0
   42    41    47    60   0.15600 -1.0 2.0
   42    41    47    60  -0.50800  1.0 3.0
   42    41    47    73   0.09700  1.0 1.0
   42    41    47    73   0.15600 -1.0 2.0
   42    41    47    73  -0.50800  1.0 3.0
   47    60    62    63   2.26350  1.0 1.0
   47    60    62    63   0.76750 -1.0 2.0
   47    60    62    63   0.22500  1.0 3.0
   47    60    62    77   2.26350  1.0 1.0
   47    60    62    77   0.76750 -1.0 2.0
   47    60    62    77   0.22500  1.0 3.0
   47    73   -39    33   0.56750  1.0 1.0
   47    73   -39    33  -0.07550 -1.0 2.0
   47    73   -39    33   0.20000  1.0 3.0
   47    73    39    40   0.15000  1.0 3.0
   47    73    39    43   1.36600  1.0 1.0
   47    73    39    43  -0.11450 -1.0 2.0
   47    73    39    43   0.24250  1.0 3.0
   48    47    60    61   0.30150 -1.0 2.0
   48    47    60    62   0.65300  1.0 1.0
   48    47    60    62  -0.03850 -1.0 2.0
   48    47    60    62   0.33900  1.0 3.0
   48    47    73    65   0.62750  1.0 1.0
   48    47    73    65  -0.30950 -1.0 2.0
   48    47    73    65   0.27300  1.0 3.0
   48    47    73    74   0.23400  1.0 3.0
   48    47    73    39   0.62750  1.0 1.0
   48    47    73    39  -0.30950 -1.0 2.0
   48    47    73    39   0.27300  1.0 3.0
   60    47    73    65  -0.95700  1.0 1.0
   60    47    73    65  -0.18200 -1.0 2.0
   60    47    73    65   0.29450  1.0 3.0
   60    47    73    74  -0.11250  1.0 3.0
   60    47    73    39  -0.95700  1.0 1.0
   60    47    73    39  -0.18200 -1.0 2.0
   60    47    73    39   0.29450  1.0 3.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62   -63    65   3.62500 -1.0 2.0
   60    62    77    75   3.62500 -1.0 2.0
   60    62    77    82   3.62500 -1.0 2.0
   61    60    62    63   1.05000 -1.0 2.0
   61    60    62    77   1.05000 -1.0 2.0
   62    63    64    68   3.62500 -1.0 2.0
   62    63    64    69   3.62500 -1.0 2.0
   62    63    65    66   0.00000  1.0 1.0
   62    63    65    67   0.00000  1.0 1.0
   62    63    65    73   0.04150 -1.0 2.0
   62    77    82    83   0.84100 -1.0 2.0
   63    62    77    75   3.62500 -1.0 2.0
   63    62    77    82   3.62500 -1.0 2.0
   63    64   -68    75   3.62500 -1.0 2.0
   63    64    68    86   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    72   0.00000  1.0 1.0
   63    65   -73    47  -0.03700  1.0 1.0
   63    65   -73    47   0.37200 -1.0 2.0
   63    65   -73    47  -0.47300  1.0 3.0
   63    65    73    74   0.43200  1.0 3.0
   63    65    73    39  -0.03700  1.0 1.0
   63    65    73    39   0.37200 -1.0 2.0
   63    65    73    39  -0.47300  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    73   0.04150 -1.0 2.0
   64    68    75    76   3.62500 -1.0 2.0
   64    68    75    77   3.62500 -1.0 2.0
   64    68    86    84   3.62500 -1.0 2.0
   64    68    86    87   3.62500 -1.0 2.0
   68    64    69    70   0.00000  1.0 1.0
   68    64    69    71   0.00000  1.0 1.0
   68    64    69    72   0.00000  1.0 1.0
   68    75    76    78   3.62500 -1.0 2.0
   68    75    76    80   3.62500 -1.0 2.0
   68    75   -77    62   3.62500 -1.0 2.0
   68    75    77    82   3.62500 -1.0 2.0
   75    68    86    84   3.62500 -1.0 2.0
   75    68    86    87   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76   -78    84   3.62500 -1.0 2.0
   75    76    80    81   0.84100 -1.0 2.0
   75    77    82    83   0.84100 -1.0 2.0
   76    75    77    62   3.62500 -1.0 2.0
   76    75    77    82   3.62500 -1.0 2.0
   76    78    84    85   3.62500 -1.0 2.0
   76    78    84    86   3.62500 -1.0 2.0
   78    76    80    81   0.84100 -1.0 2.0
   78    84   -86    68   3.62500 -1.0 2.0
   78    84    86    87   3.62500 -1.0 2.0
   79    78    84    85   3.62500 -1.0 2.0
   79    78    84    86   3.62500 -1.0 2.0
   85    84    86    68   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    68   -75    76   3.62500 -1.0 2.0
   86    68    75    77   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   80    76    78    84   3.62500 -1.0 2.0
   77    62   -63    64   3.62500 -1.0 2.0
   77    62    63    65   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   69    64    68    75   3.62500 -1.0 2.0
   69    64    68    86   3.62500 -1.0 2.0
   65    63    64    68   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   65    73    39    33   0.56750  1.0 1.0
   65    73    39    33  -0.07550 -1.0 2.0
   65    73    39    33   0.20000  1.0 3.0
   65    73    39    40   0.15000  1.0 3.0
   65    73    39    43   1.36600  1.0 1.0
   65    73    39    43  -0.11450 -1.0 2.0
   65    73    39    43   0.24250  1.0 3.0
   66    65    73    47   0.15000  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    39   0.15000  1.0 3.0
   67    65    73    47   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    39   0.15000  1.0 3.0
   73    47    60    61   0.30150 -1.0 2.0
   73    47   -60    62   0.05850 -1.0 2.0
   73    47   -60    62   0.17250  1.0 3.0
   73    39    43    44   0.17350  1.0 3.0
   73    39    43    49   0.47100  1.0 1.0
   73    39    43    53   0.47100  1.0 1.0
   74    73    39    33   0.15000  1.0 3.0
   74    73    39    40   0.15000  1.0 3.0
   74    73    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    49    50   0.15000  1.0 3.0
   39    43    49    51   0.15000  1.0 3.0
   39    43    49    52   0.15000  1.0 3.0
   39    43    53    54   0.15000  1.0 3.0
   39    43    53    55   0.15000  1.0 3.0
   39    43    53    56   0.15000  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    53   0.15000  1.0 3.0
   44    43    49    50   0.13050  1.0 3.0
   44    43    49    51   0.13050  1.0 3.0
   44    43    49    52   0.13050  1.0 3.0
   44    43    53    54   0.13050  1.0 3.0
   44    43    53    55   0.13050  1.0 3.0
   44    43    53    56   0.13050  1.0 3.0
   49    43    53    54   0.15000  1.0 3.0
   49    43    53    55   0.15000  1.0 3.0
   49    43    53    56   0.15000  1.0 3.0
   53    43    49    50   0.15000  1.0 3.0
   53    43    49    51   0.15000  1.0 3.0
   53    43    49    52   0.15000  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    57    58   2.45000 -1.0 2.0
   46    45    57    59   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    62    60    61  10.50000 -1.0 2.0
   63    77    62    60   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   68    69    64    63   4.00000 -1.0 2.0
   75    86    68    64   4.00000 -1.0 2.0
   76    77    75    68   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   84    79    78    76   1.10000 -1.0 2.0
   86    85    84    78   1.10000 -1.0 2.0
   84    87    86    68   4.00000 -1.0 2.0
   75    82    77    62   4.00000 -1.0 2.0
   38    57    45    46  10.50000 -1.0 2.0
   59    45    57    58   1.00000 -1.0 2.0
END
