* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    159    259     477
    1     0 S   NP   _N1_     1    28.87700    93.97123   -19.24555
    2     1 S   H    _HN1     2     1.02962   104.05928    38.59965
    3     1 S   H    _H1_     3     1.02838    34.45892   138.43536
    4     1 S   H    _H2_     4     1.02780    76.71582   -67.24842
    5     1 S   CT   _CA1     5     1.50085   138.42135  -175.83623
    6     5 S   HC   _HA1     6     1.09571   105.31713    33.67240
    7     5 S   CO3  _C1_     7     1.53825   112.21449   -86.67203
    8     7 S   O2Z  _O11     8     1.26365   115.07215   -48.36252
    9     7 S   O2Z  _O12     9     1.26230   114.91248   130.85714
   10     5 S   CT   _CB1    10     1.53060   107.42680   151.59377
   11    10 S   HC   HB11    11     1.09818   109.54353   -50.73767
   12    10 S   HC   HB12    12     1.09834   110.31333    65.81214
   13    10 S   CT   _CG1    13     1.53016   112.61607  -171.88669
   14    13 S   HC   HG11    14     1.09594   110.26657   -57.67725
   15    13 S   HC   HG12    15     1.09602   110.29862    61.56400
   16    13 S   C    _CD1    16     1.51749   111.89922  -178.11622
   17    16 S   O    _OE1    17     1.22747   123.13924   -15.49481
   18    16 S   N    _N2_    18     1.38600   111.76826   164.75822
   19    18 S   H    _HN2    19     1.01583   119.07521     3.00674
   20    18 S   CT1  _CA2    20     1.46253   123.26482  -174.01552
   21    20 S   HC   _HA2    21     1.09721   109.39984   -16.51816
   22    20 S   C    _C2_    22     1.53292   108.41441  -132.60963
   23    22 S   O    _O2_    23     1.23003   122.27516  -145.00431
   24    20 S   CT   _CB2    32     1.53548   110.99352   105.36530
   25    24 S   HC   HB21    33     1.09575   109.34123    56.93104
   26    24 S   HC   HB22    34     1.09501   110.72897   175.61215
   27    22 S   N    _N3_    24     1.38514   113.28807    42.28094
   28    27 S   H    _HN3    25     1.01539   118.91831    -0.49059
   29    24 S   S    _SG2    35     1.82916   111.56125   -64.45903
   30    27 S   CT   _CA3    26     1.45439   123.36532   175.18200
   31    30 S   HC   HA31    27     1.09529   109.15091    26.12749
   32    30 S   HC   HA32    28     1.09494   107.15085   143.10769
   33    29 S   CT   _C24    36     1.84302    99.92085   152.03470
   34    33 S   HC   _H3_    37     1.09750   107.33865   -41.98745
   35    30 S   CO3  _C3_    29     1.52924   113.14471   -97.29164
   36    35 S   O2Z  _O31    30     1.26399   115.40945   -44.93344
   37    35 S   O2Z  _O32    31     1.26356   114.98106   136.00383
   38    33 S   CA   _C9_    38     1.52083   110.07128    76.46119
   39    33 S   CT   _C17    52     1.54242   110.16996  -158.23783
   40    39 S   HC   _H39    53     1.09631   113.54127   -54.27882
   41    38 S   CA   _C4_    39     1.40636   119.49447  -109.80740
   42    41 S   HA   _H35    40     1.08746   119.79903    -0.04423
   43    39 S   CO4  _C16    54     1.51999   113.16050    71.11783
   44    43 S   O    _O22    55     1.21600   128.21713   -61.66127
   45    41 S   CA   _C11    41     1.39651   120.45386  -180.00000
   46    43 S   CA   _C8_    56     1.43842   107.77811   118.40639
   47    45 S   CA   _C15    42     1.39036   120.23835    -0.05234
   48    45 S   OH   _O25    50     1.36731   120.44015   179.95577
   49    48 S   HO   _H48    51     0.97197   108.80797     0.39958
   50    46 S   CA   _C10    57     1.37617   105.61000    -0.22206
   51    47 S   CA   _C12    43     1.39193   119.78517    -0.08156
   52    47 S   OH   _O28    48     1.36723   119.66368   179.98022
   53    52 S   HO   _H51    49     0.97383   107.23869  -179.97202
   54    50 S   CA   _C6_    58     1.38457   121.13135  -179.48642
   55    54 S   HA   _H37    59     1.08370   118.95664   179.61336
   56    39 S   OS   _O23    89     1.45997   108.98622  -173.45926
   57    38 S   CA   _C5_    44     1.40590   121.70867    70.01137
   58    57 S   HA   _H36    45     1.08692   120.07477    -0.21850
   59    51 S   OH   _O26    46     1.36779   118.63623  -179.87646
   60    59 S   HO   _H49    47     0.97263   108.61498   179.90109
   61    54 S   CA   _C13    60     1.40051   118.27643     0.06256
   62    61 S   CA   _C7_    61     1.41088   119.87479    -0.09065
   63    62 S   HA   _H38    62     1.08818   119.61850   179.95577
   64    61 S   OS   _O35    66     1.37075   125.75573   179.59993
   65    46 S   CA   _C14    63     1.37682   132.30415  -179.70261
   66    64 S   CO   _C22    67     1.43614   118.00785     2.27572
   67    66 S   HC   _H44    68     1.09904   109.10928    52.10360
   68    65 S   OH   _O27    64     1.35897   123.55533    -0.63827
   69    68 S   HO   _H50    65     0.97581   109.81348    -1.56097
   70    66 S   CT   _C20    69     1.53622   106.96146   170.16805
   71    70 S   HC   _H42    70     1.09687   109.92029    52.89480
   72    70 S   CT   _C18    71     1.53166   111.29818   174.81688
   73    72 S   HC   _H40    72     1.09668   110.20832    73.77877
   74    70 S   OH   _O33    87     1.42942   109.96166   -63.75949
   75    74 S   HO   _H54    88     0.97231   108.27632   -62.74607
   76    72 S   CT   _C19    73     1.53210   111.43601   -48.87636
   77    76 S   HC   _H41    74     1.09701   109.07863   -71.60494
   78    72 S   OH   _O29    85     1.42935   109.62374  -170.39301
   79    78 S   HO   _H52    86     0.97243   108.15499    60.94798
   80    76 S   CT   _C21    75     1.53183   110.55945    49.59658
   81    80 S   HC   _H43    76     1.09841   110.95207    63.89193
   82    76 S   OH   _O30    83     1.42577   109.71501   171.50569
   83    82 S   HO   _H53    84     0.97254   108.23352   -57.95550
   84    66 S   OS   _O24    77     1.42972   111.20341   -70.54491
   85    80 S   CT   _C23    78     1.52941   111.72099  -175.25010
   86    85 S   HC   _H45    79     1.09496   111.05267    69.32909
   87    85 S   HC   _H46    80     1.09396   111.55472   -53.14931
   88    85 S   OH   _O34    81     1.42534   108.93767  -172.05342
   89    88 S   HO   _H55    82     0.97247   107.02101  -179.14339
  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
  15   7   2   1   1  13  10   5   9   4   8   4   8  10   9   3
   1   8   6   3   1   8   4   2   3   1   1   1   9   6   3   9
   2  13   6   1   1  12   7  13   7   4   1  12   7   3   1   9
   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    57    39    40    43    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    58    39    40    43    44    46    50    56  
   38    41    57    39    40    43    56  
   36    37  
   37  
    0  
   41    42    45    47    51    57    58    59    48    39    40    43    56  
   40    43    44    46    50    54    65    56    41    57  
   43    44    46    50    56  
   42    45    47    51    57    58    52    48    49  
   45    47    57    48  
   44    46    50    54    62    65    68    56  
   46    50    65    56  
   47    51    57    59    52    53    48    49  
   50    54    55    61    62    63    65    68    69    56  
   51    57    58    59    60    52    53    48    49  
   49    51    52  
    0  
   54    55    61    62    65    68    64    56  
   57    58    59    60    52    53  
   53    57    59  
    0  
   55    61    62    63    65    64    66    56  
   61    62    64    56  
   61    65  
   58    59    60  
   59  
   60  
    0  
   62    63    65    68    64    66    67    70    84  
   63    65    68    69    64    66  
   65    68    64  
   66    67    70    71    72    80    84    74    65  
   68    69  
   67    70    71    72    73    76    80    81    84    85    78    74    75  
   70    71    72    80    84    74  
   69  
    0  
   71    72    73    76    77    80    84    82    78    79    74    75  
   72    73    76    84    78    74    75  
   73    76    77    80    81    84    85    82    83    78    79    74    75  
   76    77    80    82    78    79    74  
   75    76    78    84  
    0  
   77    80    81    84    85    86    87    88    82    83    78    79  
   80    81    84    85    82    83    78  
   79    80    82  
    0  
   81    84    85    86    87    88    89    82    83  
   84    85    86    87    88    82  
   83    84    85  
    0  
   85    86    87    88  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   450.000  1.364
   47    51   469.000  1.400
   47    52   450.000  1.364
   51    57   469.000  1.400
   51    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   52    53   553.000  0.945
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    56   320.000  1.410
   43    44   570.000  1.229
   43    46   310.000  1.470
   46    50   469.000  1.400
   46    65   469.000  1.400
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   367.000  1.080
   54    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   64    66   320.000  1.380
   66    67   340.000  1.090
   66    70   250.000  1.527
   66    84   320.000  1.380
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   320.000  1.410
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    82   320.000  1.410
   80    81   340.000  1.090
   80    84   320.000  1.410
   80    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   82    83   553.000  0.945
   78    79   553.000  0.945
   74    75   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    56    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    51    63.00000  120.00000
   45    47    52    70.00000  120.00000
   45    48    49    35.00000  113.00000
   47    51    57    63.00000  120.00000
   47    51    59    70.00000  120.00000
   47    52    53    35.00000  113.00000
   51    57    58    35.00000  120.00000
   51    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    51    57    70.00000  120.00000
   52    47    51    70.00000  120.00000
   48    45    47    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    46    65.00000  115.47100
   39    56    50    75.00000  111.00000
   43    39    40    35.00000  109.50000
   43    46    50    60.00000  119.52600
   43    46    65    60.00000  119.52600
   46    43    44    75.00000  123.78400
   46    50    54    63.00000  120.00000
   46    50    56    70.00000  120.00000
   46    65    62    63.00000  120.00000
   46    65    68    70.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    61    63.00000  120.00000
   54    61    62    63.00000  120.00000
   54    61    64    70.00000  120.00000
   61    54    55    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    65    63.00000  120.00000
   61    64    66   100.00000  112.36700
   62    65    68    70.00000  120.00000
   65    46    50    63.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    69    35.00000  113.00000
   64    61    62    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    70    90.00000  108.56700
   64    66    84    92.60000  111.55000
   66    70    71    45.00000  108.72000
   66    70    72    75.00000  109.43000
   66    70    74    90.00000  111.58700
   66    84    80    60.00000  109.50000
   70    66    67    45.00000  112.01100
   70    72    73    37.50000  110.70000
   70    72    76    58.35000  112.70000
   70    72    78    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    70    71    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    58.35000  112.70000
   72    76    82    50.00000  109.50000
   72    78    79    55.00000  108.50000
   76    72    73    37.50000  110.70000
   76    80    81    37.50000  110.70000
   76    80    84    50.00000  109.50000
   76    80    85    58.35000  112.70000
   76    82    83    55.00000  108.50000
   80    76    77    37.50000  110.70000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    50.00000  109.50000
   84    66    67    35.00000  109.50000
   84    66    70    90.00000  108.56700
   84    80    81    35.00000  109.50000
   85    80    81    37.50000  110.70000
   85    80    84    50.00000  109.50000
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   82    76    77    35.00000  109.50000
   82    76    80    50.00000  109.50000
   78    72    73    35.00000  109.50000
   78    72    76    50.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   56    39    40    35.00000  109.50000
   56    39    43    90.00000  108.74100
   56    50    54    70.00000  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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  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
   29    33    39    56   0.56750  1.0 1.0
   29    33    39    56  -0.07550 -1.0 2.0
   29    33    39    56   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    51   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    46   0.05850 -1.0 2.0
   33    39    43    46   0.17250  1.0 3.0
   33    39    56    50  -0.32850  1.0 1.0
   33    39    56    50  -0.35800 -1.0 2.0
   33    39    56    50   0.33950  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    56   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    56  -0.64350  1.0 1.0
   38    33    39    56  -0.04200 -1.0 2.0
   38    33    39    56   0.19800  1.0 3.0
   38    41    45    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    51   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -47    51   3.62500 -1.0 2.0
   41    45    47    52   3.62500 -1.0 2.0
   41    45    48    49   0.84100 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    51    57   3.62500 -1.0 2.0
   45    47    51    59   3.62500 -1.0 2.0
   45    47    52    53   0.84100 -1.0 2.0
   47    45    48    49   0.84100 -1.0 2.0
   47    51   -57    38   3.62500 -1.0 2.0
   47    51    57    58   3.62500 -1.0 2.0
   47    51    59    60   0.84100 -1.0 2.0
   51    47    52    53   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    51    59    60   0.84100 -1.0 2.0
   59    51    57    38   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   52    47    51    57   3.62500 -1.0 2.0
   52    47    51    59   3.62500 -1.0 2.0
   48    45    47    51   3.62500 -1.0 2.0
   48    45    47    52   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    43   -46    50   2.26350  1.0 1.0
   39    43   -46    50   0.76750 -1.0 2.0
   39    43   -46    50   0.22500  1.0 3.0
   39    43    46    65   2.26350  1.0 1.0
   39    43    46    65   0.76750 -1.0 2.0
   39    43    46    65   0.22500  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    46   0.00000  1.0 1.0
   40    39    56    50   0.08050  1.0 3.0
   43    39   -56    50  -0.25600  1.0 1.0
   43    39   -56    50  -0.40050 -1.0 2.0
   43    39   -56    50   0.34700  1.0 3.0
   43    46    50    54   3.62500 -1.0 2.0
   43    46   -50    56   3.62500 -1.0 2.0
   43    46    65    62   3.62500 -1.0 2.0
   43    46    65    68   3.62500 -1.0 2.0
   44    43    46    50   1.05000 -1.0 2.0
   44    43    46    65   1.05000 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50    54    61   3.62500 -1.0 2.0
   46    50   -56    39   1.63200 -1.0 2.0
   46    65    68    69   0.84100 -1.0 2.0
   50    46    65    62   3.62500 -1.0 2.0
   50    46    65    68   3.62500 -1.0 2.0
   50    54   -61    62   3.62500 -1.0 2.0
   50    54    61    64   3.62500 -1.0 2.0
   54    50    56    39   1.63200 -1.0 2.0
   54    61    62    63   3.62500 -1.0 2.0
   54    61    62    65   3.62500 -1.0 2.0
   54    61    64    66   1.63200 -1.0 2.0
   55    54    61    62   3.62500 -1.0 2.0
   55    54    61    64   3.62500 -1.0 2.0
   61    62   -65    46   3.62500 -1.0 2.0
   61    62    65    68   3.62500 -1.0 2.0
   61    64    66    67   0.08050  1.0 3.0
   61    64    66    70  -0.32850  1.0 1.0
   61    64    66    70  -0.35800 -1.0 2.0
   61    64    66    70   0.33950  1.0 3.0
   61    64    66    84  -0.25600  1.0 1.0
   61    64    66    84  -0.40050 -1.0 2.0
   61    64    66    84   0.34700  1.0 3.0
   62    61    64    66   1.63200 -1.0 2.0
   62    65    68    69   0.84100 -1.0 2.0
   63    62    65    46   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    46   -50    54   3.62500 -1.0 2.0
   65    46    50    56   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    65   3.62500 -1.0 2.0
   64    66    70    71   0.23400  1.0 3.0
   64    66    70    72   0.62750  1.0 1.0
   64    66    70    72  -0.30950 -1.0 2.0
   64    66    70    72   0.27300  1.0 3.0
   64    66    70    74   3.69350  1.0 1.0
   64    66    70    74  -1.82950 -1.0 2.0
   64    66    84    80  -0.81800  1.0 1.0
   66    70    72    73   0.15000  1.0 3.0
   66    70    72    76   3.97050  1.0 1.0
   66    70    72    78   0.86500  1.0 1.0
   66    70    72    78  -0.17500 -1.0 2.0
   66    70    72    78   0.20800  1.0 3.0
   66    70    74    75  -0.11600  1.0 1.0
   66    70    74    75  -0.09450 -1.0 2.0
   66    70    74    75   0.21250  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    84    80   0.37050  1.0 3.0
   70    66    84    80   0.06250  1.0 1.0
   70    66    84    80  -0.01100 -1.0 2.0
   70    66    84    80   0.28050  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72   -76    80   0.56750  1.0 1.0
   70    72   -76    80  -0.07550 -1.0 2.0
   70    72   -76    80   0.20000  1.0 3.0
   70    72    76    82   0.86500  1.0 1.0
   70    72    76    82  -0.17500 -1.0 2.0
   70    72    76    82   0.20800  1.0 3.0
   70    72    78    79  -0.11600  1.0 1.0
   70    72    78    79  -0.09450 -1.0 2.0
   70    72    78    79   0.21250  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    72    78   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   72    76    80    81   0.15000  1.0 3.0
   72    76    80    84   0.62750  1.0 1.0
   72    76    80    84  -0.30950 -1.0 2.0
   72    76    80    84   0.27300  1.0 3.0
   72    76    80    85   0.56750  1.0 1.0
   72    76    80    85  -0.07550 -1.0 2.0
   72    76    80    85   0.20000  1.0 3.0
   72    76    82    83  -0.11600  1.0 1.0
   72    76    82    83  -0.09450 -1.0 2.0
   72    76    82    83   0.21250  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.15000  1.0 3.0
   73    72    76    82   0.23400  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79  -0.11600  1.0 1.0
   76    72    78    79  -0.09450 -1.0 2.0
   76    72    78    79   0.21250  1.0 3.0
   76    80   -84    66   0.06250  1.0 1.0
   76    80   -84    66  -0.01100 -1.0 2.0
   76    80   -84    66   0.28050  1.0 3.0
   76    80    85    86   0.15000  1.0 3.0
   76    80    85    87   0.15000  1.0 3.0
   76    80    85    88   0.86500  1.0 1.0
   76    80    85    88  -0.17500 -1.0 2.0
   76    80    85    88   0.20800  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    84   0.23400  1.0 3.0
   77    76    80    85   0.15000  1.0 3.0
   77    76    82    83   0.19450  1.0 3.0
   80    76    82    83  -0.11600  1.0 1.0
   80    76    82    83  -0.09450 -1.0 2.0
   80    76    82    83   0.21250  1.0 3.0
   80    85    88    89  -0.11600  1.0 1.0
   80    85    88    89  -0.09450 -1.0 2.0
   80    85    88    89   0.21250  1.0 3.0
   81    80    84    66   0.37050  1.0 3.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    87   0.15000  1.0 3.0
   81    80    85    88   0.23400  1.0 3.0
   84    66    70    71   0.23400  1.0 3.0
   84    66   -70    72   0.62750  1.0 1.0
   84    66   -70    72  -0.30950 -1.0 2.0
   84    66   -70    72   0.27300  1.0 3.0
   84    66    70    74   3.69350  1.0 1.0
   84    66    70    74  -1.82950 -1.0 2.0
   84    80    85    86   0.23400  1.0 3.0
   84    80    85    87   0.23400  1.0 3.0
   84    80    85    88   3.69350  1.0 1.0
   84    80    85    88  -1.82950 -1.0 2.0
   85    80    84    66   0.06250  1.0 1.0
   85    80    84    66  -0.01100 -1.0 2.0
   85    80    84    66   0.28050  1.0 3.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   82    76    80    81   0.23400  1.0 3.0
   82    76    80    84   3.69350  1.0 1.0
   82    76    80    84  -1.82950 -1.0 2.0
   82    76    80    85   0.86500  1.0 1.0
   82    76    80    85  -0.17500 -1.0 2.0
   82    76    80    85   0.20800  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   0.86500  1.0 1.0
   78    72    76    80  -0.17500 -1.0 2.0
   78    72    76    80   0.20800  1.0 3.0
   78    72    76    82   3.75450  1.0 1.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   0.86500  1.0 1.0
   74    70    72    76  -0.17500 -1.0 2.0
   74    70    72    76   0.20800  1.0 3.0
   74    70    72    78   3.75450  1.0 1.0
   56    39    43    44   0.30150 -1.0 2.0
   56    39   -43    46   0.65300  1.0 1.0
   56    39   -43    46  -0.03850 -1.0 2.0
   56    39   -43    46   0.33900  1.0 3.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    61   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   51    52    47    45   4.00000 -1.0 2.0
   57    59    51    47   4.00000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   39    46    43    44  10.50000 -1.0 2.0
   50    65    46    43   4.00000 -1.0 2.0
   54    56    50    46   4.00000 -1.0 2.0
   61    55    54    50   1.10000 -1.0 2.0
   62    64    61    54   4.00000 -1.0 2.0
   65    63    62    61   1.10000 -1.0 2.0
   62    68    65    46   4.00000 -1.0 2.0
END
