* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    151    237     444
    1     0 S   NP   _N1_     1    28.47527    97.75133   -23.93080
    2     1 S   H    _HN1     2     1.02828    37.66122   160.78245
    3     1 S   H    _H1_     3     1.02782   105.06630   -99.30664
    4     1 S   H    _H2_     4     1.02952    72.68517     5.62776
    5     1 S   CT   _CA1     5     1.50113   138.55325   107.05815
    6     5 S   HC   _HA1     6     1.09573   105.20788    91.00103
    7     5 S   CO3  _C1_     7     1.53797   112.43556   -29.23035
    8     7 S   O2Z  _O11     8     1.26370   115.00479   -42.93988
    9     7 S   O2Z  _O12     9     1.26240   114.94596   136.20541
   10     5 S   CT   _CB1    10     1.53086   107.42072  -151.03270
   11    10 S   HC   HB11    11     1.09829   109.37802   -49.98651
   12    10 S   HC   HB12    12     1.09814   110.44007    66.62112
   13    10 S   CT   _CG1    13     1.52976   112.59574  -170.99385
   14    13 S   HC   HG11    14     1.09594   110.56892   -64.90636
   15    13 S   HC   HG12    15     1.09668   109.85121    54.31285
   16    13 S   C    _CD1    16     1.51798   112.31285   174.74171
   17    16 S   O    _OE1    17     1.22720   123.33581     3.83717
   18    16 S   N    _N2_    18     1.38627   111.58180  -176.25064
   19    18 S   H    _HN2    19     1.01588   118.92092     1.77916
   20    18 S   CT1  _CA2    20     1.46223   123.46445   178.42331
   21    20 S   HC   _HA2    21     1.09735   109.43593    -0.99071
   22    20 S   C    _C2_    22     1.53497   108.47000  -116.48481
   23    22 S   O    _O2_    23     1.23039   122.33257  -147.82257
   24    20 S   CT   _CB2    32     1.53468   111.36731   121.09832
   25    24 S   HC   HB21    33     1.09341   109.33900    55.84669
   26    24 S   HC   HB22    34     1.09415   109.88773   174.71102
   27    22 S   N    _N3_    24     1.38349   113.61311    39.64803
   28    27 S   H    _HN3    25     1.01606   119.54677    -3.47485
   29    24 S   S    _SG2    35     1.83050   110.97920   -65.86695
   30    27 S   CT   _CA3    26     1.45286   123.17233   177.05250
   31    30 S   HC   HA31    27     1.09551   107.51874   -64.19563
   32    30 S   HC   HA32    28     1.09555   107.96733    52.22892
   33    29 S   CT   _C18    36     1.87618   102.18921   166.69252
   34    30 S   CO3  _C3_    29     1.52947   114.10667   174.22053
   35    34 S   O2Z  _O31    30     1.26372   116.06759    -0.71491
   36    34 S   O2Z  _O32    31     1.26430   114.41166   179.34419
   37    33 S   CO4  _C17    37     1.53948   104.09667  -178.77651
   38    37 S   O    _O36    38     1.23082   122.04691    57.63480
   39    33 S   CT   _C21    73     1.56656   114.29396   -58.62129
   40    39 S   HC   _H17    74     1.09796   108.42243    71.66887
   41    37 S   CA   _C7_    39     1.49250   119.79375  -123.84569
   42    39 S   CT   _C22    75     1.53957   111.91231  -172.46740
   43    42 S   HC   _H18    76     1.09484   111.77284    68.39706
   44    42 S   HC   _H19    77     1.09444   111.51587   -52.99349
   45    42 S   HC   _H20    78     1.09579   110.38351  -172.12717
   46    39 S   CT   _C23    79     1.53611   115.69386   -47.31709
   47    46 S   HC   _H21    80     1.09346   112.11453   -63.19090
   48    46 S   HC   _H22    81     1.09628   110.12070   177.70817
   49    46 S   HC   _H23    82     1.09321   112.18558    59.16267
   50    41 S   CA   _C6_    40     1.41083   120.63013    21.54528
   51    50 S   CA   _C5_    41     1.42114   122.09700  -179.56479
   52    50 S   CO4  _C20    69     1.47205   117.05994     1.24851
   53    52 S   O    _O37    70     1.21870   124.67224   145.41043
   54    51 S   CA   _C10    42     1.39863   117.27445    -4.82410
   55    51 S   CT   _C4_    65     1.50258   121.42057   174.85966
   56    55 S   HC   _H4_    66     1.09382   110.38282    90.78395
   57    55 S   HC   _H5_    67     1.09197   111.54359  -147.31379
   58    55 S   HC   _H6_    68     1.09439   111.74283   -31.10170
   59    33 S   CO4  _C19    71     1.51734   105.23983    61.66905
   60    59 S   O    _O38    72     1.22293   126.20516   -87.64838
   61    54 S   CA   _C9_    43     1.39656   119.77949     4.40540
   62    41 S   CA   _C8_    44     1.39900   120.26971  -160.05663
   63    61 S   OS   _O33    47     1.37562   113.82375   177.61247
   64    62 S   OH   _O35    45     1.36537   124.07107     2.24751
   65    64 S   HO   _H16    46     0.97355   109.16449    -5.40302
   66    63 S   CO   _C12    48     1.44014   103.30497    18.87441
   67    66 S   HC   _H3_    49     1.09658   108.84674  -150.93449
   68    54 S   CT   _C11    50     1.51470   132.31426  -179.26751
   69    66 S   OH   _O34    63     1.42778   109.27527    91.56123
   70    69 S   HO   _H7_    64     0.97194   106.72245    81.50364
   71    68 S   CT   _C13    51     1.54366   108.55320   -80.60253
   72    71 S   HC   _H8_    52     1.09508   111.41766  -168.75244
   73    71 S   HC   _H9_    53     1.09494   111.52936    70.99567
   74    71 S   HC   _H10    54     1.09685   112.02074   -48.97336
   75    68 S   CT   _C14    55     1.54930   115.34080    45.81778
   76    75 S   HC   _H11    56     1.09844   109.83591    45.18101
   77    75 S   HC   _H12    57     1.09467   110.35073   -70.44195
   78    75 S   CM   _C15    58     1.50652   114.73303   169.93518
   79    78 S   HC   _H13    59     1.08676   117.59458    62.97566
   80    78 S   CM   _C16    60     1.33808   124.05178  -118.82698
   81    80 S   HC   _H14    61     1.08466   120.53217  -179.10869
   82    80 S   HC   _H15    62     1.08463   121.53918     1.00405
  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  11   5   4   3
  19   2   1   1  14   5  13   9  12   8   3   2   1   4   2   1
   1  14  15   6   2  20   5   2   1   1   1   1  10   5   8   1
   1  12   5  12   3   1   7   3   2   1   7   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    59    60    39    40    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    50    62    52    53    59    60    39    40    42    43    44    45    46    47    48    49  
   35    36  
   36  
    0  
   38    41    50    51    61    62    64    52    59    60    39    40    42    46  
   41    50    62    59    39  
   40    42    43    44    45    46    47    48    49    41    52    59    60  
   42    43    44    45    46    47    48    49    59  
   50    51    54    61    62    64    65    63    55    52    53    59  
   43    44    45    46    47    48    49    59  
   44    45    46  
   45    46  
   46  
   47    48    49    59  
   48    49  
   49  
    0  
   51    54    61    62    64    68    55    56    57    58    52    53    59    60  
   54    61    62    63    66    68    71    75    55    56    57    58    52    53    59  
   53    59    60    54    55    62  
   59    60  
   61    62    64    63    66    67    68    71    72    73    74    75    76    77    78    69    55    56    57    58  
   56    57    58    61    68  
   57    58  
   58  
    0  
   60  
    0  
   62    64    65    63    66    67    68    71    75    69  
   64    65    63    66    68  
   66    67    68    71    75    69    70    64  
   65  
    0  
   67    68    71    72    73    74    75    76    77    78    69    70  
   68    71    75    69    70  
   71    72    73    74    75    76    77    78    79    80    69    70  
   70    71    75  
    0  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78    79    80    81    82  
   77    78    79    80  
   78    79    80  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   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   222.000  1.810
   33    37   317.000  1.522
   33    59   317.000  1.522
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    50   469.000  1.400
   41    62   469.000  1.400
   50    51   469.000  1.400
   50    52   310.000  1.470
   51    54   469.000  1.400
   51    55   317.000  1.510
   54    61   469.000  1.400
   54    68   317.000  1.510
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   450.000  1.364
   64    65   553.000  0.945
   63    66   320.000  1.380
   66    67   340.000  1.090
   66    68   250.000  1.527
   66    69   380.000  1.407
   68    71   268.000  1.529
   68    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.510
   78    79   340.000  1.080
   78    80   549.000  1.340
   80    81   340.000  1.080
   80    82   340.000  1.080
   69    70   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   570.000  1.229
   52    59   250.000  1.523
   59    60   570.000  1.229
   39    40   340.000  1.090
   39    42   268.000  1.529
   39    46   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    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    37    75.00000  110.18000
   29    33    59    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    59    52    65.00000  115.45000
   33    59    60    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    39    46    58.35000  112.70000
   37    41    50    60.00000  119.52600
   37    41    62    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    50    51    63.00000  120.00000
   41    50    52    60.00000  119.52600
   41    62    61    63.00000  120.00000
   41    62    64    70.00000  120.00000
   50    51    54    63.00000  120.00000
   50    51    55    70.00000  120.00000
   50    52    53    75.00000  123.78400
   50    52    59    60.00000  117.28700
   51    54    61    63.00000  120.00000
   51    54    68    70.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   54    61    62    63.00000  120.00000
   54    61    63    70.00000  120.00000
   54    68    66    70.00000  112.17500
   54    68    71    70.00000  112.17500
   54    68    75    70.00000  112.17500
   61    62    64    70.00000  120.00000
   61    63    66   100.00000  112.36700
   62    41    50    63.00000  120.00000
   62    64    65    35.00000  113.00000
   63    61    62    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    90.00000  108.56700
   63    66    69   110.00000  112.08000
   66    68    71    75.00000  109.43000
   66    68    75    75.00000  109.43000
   66    69    70    70.00000  107.92000
   68    54    61    70.00000  120.00000
   68    66    67    45.00000  112.01100
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    70.00000  112.02700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    71    58.35000  112.70000
   75    78    79    35.00000  117.00000
   75    78    80    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    35.00000  120.00000
   78    80    82    35.00000  120.00000
   80    78    79    35.00000  120.00000
   82    80    81    35.00000  117.00000
   69    66    67    60.00000  108.02500
   69    66    68    90.00000  110.19100
   55    51    54    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   52    50    51    60.00000  119.52600
   52    59    60    80.00000  119.30300
   59    33    37    75.00000  107.99600
   59    52    53    80.00000  119.30300
   39    33    37    63.00000  111.10000
   39    33    59    63.00000  111.10000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    49    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    42    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    59    52   0.65300  1.0 1.0
   29    33    59    52  -0.03850 -1.0 2.0
   29    33    59    52   0.33900  1.0 3.0
   29    33    59    60   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    37    41    50   2.26350  1.0 1.0
   33    37    41    50   0.76750 -1.0 2.0
   33    37    41    50   0.22500  1.0 3.0
   33    37    41    62   2.26350  1.0 1.0
   33    37    41    62   0.76750 -1.0 2.0
   33    37    41    62   0.22500  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    49   0.15000  1.0 3.0
   37    33    59    52   0.65300  1.0 1.0
   37    33    59    52  -0.03850 -1.0 2.0
   37    33    59    52   0.33900  1.0 3.0
   37    33    59    60   0.30150 -1.0 2.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    39    46  -0.95700  1.0 1.0
   37    33    39    46  -0.18200 -1.0 2.0
   37    33    39    46   0.29450  1.0 3.0
   37    41    50    51   3.62500 -1.0 2.0
   37    41   -50    52   3.62500 -1.0 2.0
   37    41    62    61   3.62500 -1.0 2.0
   37    41    62    64   3.62500 -1.0 2.0
   38    37    41    50   1.05000 -1.0 2.0
   38    37    41    62   1.05000 -1.0 2.0
   41    50    51    54   3.62500 -1.0 2.0
   41    50    51    55   3.62500 -1.0 2.0
   41    50    52    53   1.05000 -1.0 2.0
   41    50    52    59   0.56600 -1.0 2.0
   41    62    64    65   0.84100 -1.0 2.0
   50    41    62    61   3.62500 -1.0 2.0
   50    41    62    64   3.62500 -1.0 2.0
   50    51   -54    61   3.62500 -1.0 2.0
   50    51    54    68   3.62500 -1.0 2.0
   50    51    55    56   0.00000  1.0 1.0
   50    51    55    57   0.00000  1.0 1.0
   50    51    55    58   0.00000  1.0 1.0
   50    52   -59    33   0.43900  1.0 1.0
   50    52   -59    33  -0.18150 -1.0 2.0
   50    52   -59    33  -0.03650  1.0 3.0
   50    52    59    60   0.03000  1.0 1.0
   50    52    59    60   0.58800 -1.0 2.0
   50    52    59    60   0.15550  1.0 3.0
   51    50    52    53   1.05000 -1.0 2.0
   51    50    52    59   0.56600 -1.0 2.0
   51    54    61    62   3.62500 -1.0 2.0
   51    54    61    63   3.62500 -1.0 2.0
   51    54    68    66   0.04150 -1.0 2.0
   51    54    68    71   0.04150 -1.0 2.0
   51    54    68    75   0.04150 -1.0 2.0
   54    51    55    56   0.00000  1.0 1.0
   54    51    55    57   0.00000  1.0 1.0
   54    51    55    58   0.00000  1.0 1.0
   54    61   -62    41   3.62500 -1.0 2.0
   54    61    62    64   3.62500 -1.0 2.0
   54    61   -63    66   1.63200 -1.0 2.0
   54    68    71    72   0.43200  1.0 3.0
   54    68    71    73   0.43200  1.0 3.0
   54    68    71    74   0.43200  1.0 3.0
   54    68    75    76   0.43200  1.0 3.0
   54    68    75    77   0.43200  1.0 3.0
   54    68    75    78   0.21200  1.0 1.0
   54    68    75    78   0.16900 -1.0 2.0
   54    68    75    78  -1.15100  1.0 3.0
   61    54   -68    66   0.04150 -1.0 2.0
   61    54    68    71   0.04150 -1.0 2.0
   61    54    68    75   0.04150 -1.0 2.0
   61    62    64    65   0.84100 -1.0 2.0
   61    63    66    67   0.08050  1.0 3.0
   61    63   -66    68  -0.32850  1.0 1.0
   61    63   -66    68  -0.35800 -1.0 2.0
   61    63   -66    68   0.33950  1.0 3.0
   61    63    66    69  -0.25600  1.0 1.0
   61    63    66    69  -0.40050 -1.0 2.0
   61    63    66    69   0.34700  1.0 3.0
   62    41   -50    51   3.62500 -1.0 2.0
   62    41    50    52   3.62500 -1.0 2.0
   62    61    63    66   1.63200 -1.0 2.0
   63    61    62    41   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   63    66   -68    54  -0.64350  1.0 1.0
   63    66   -68    54  -0.04200 -1.0 2.0
   63    66   -68    54   0.19800  1.0 3.0
   63    66    68    71   0.62750  1.0 1.0
   63    66    68    71  -0.30950 -1.0 2.0
   63    66    68    71   0.27300  1.0 3.0
   63    66    68    75   0.62750  1.0 1.0
   63    66    68    75  -0.30950 -1.0 2.0
   63    66    68    75   0.27300  1.0 3.0
   63    66    69    70  -0.50000  1.0 1.0
   63    66    69    70  -0.73950 -1.0 2.0
   63    66    69    70   0.17150  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68    71    74   0.15000  1.0 3.0
   66    68    75    76   0.15000  1.0 3.0
   66    68    75    77   0.15000  1.0 3.0
   66    68    75    78   0.34400  1.0 1.0
   66    68    75    78   0.09450 -1.0 2.0
   66    68    75    78   0.11100  1.0 3.0
   67    66    68    54   0.43200  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    75   0.15000  1.0 3.0
   67    66    69    70   0.19450  1.0 3.0
   68    54    61    62   3.62500 -1.0 2.0
   68    54   -61    63   3.62500 -1.0 2.0
   68    66    69    70  -0.11600  1.0 1.0
   68    66    69    70  -0.09450 -1.0 2.0
   68    66    69    70   0.21250  1.0 3.0
   68    75    78    79   0.00000  1.0 1.0
   68    75    78    80   0.09850  1.0 1.0
   68    75    78    80   0.15250 -1.0 2.0
   68    75    78    80  -0.50650  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.34400  1.0 1.0
   71    68    75    78   0.09450 -1.0 2.0
   71    68    75    78   0.11100  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
   75    78    80    81   7.00000 -1.0 2.0
   75    78    80    82   7.00000 -1.0 2.0
   76    75    78    79   0.33100  1.0 3.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.33100  1.0 3.0
   77    75    78    80   0.00000  1.0 1.0
   79    78    80    81   7.00000 -1.0 2.0
   79    78    80    82   7.00000 -1.0 2.0
   69    66    68    54   1.13150  1.0 1.0
   69    66    68    54  -1.01400 -1.0 2.0
   69    66    68    71   0.86500  1.0 1.0
   69    66    68    71  -0.17500 -1.0 2.0
   69    66    68    71   0.20800  1.0 3.0
   69    66    68    75   0.86500  1.0 1.0
   69    66    68    75  -0.17500 -1.0 2.0
   69    66    68    75   0.20800  1.0 3.0
   55    51    54    61   3.62500 -1.0 2.0
   55    51    54    68   3.62500 -1.0 2.0
   52    50    51    54   3.62500 -1.0 2.0
   52    50    51    55   3.62500 -1.0 2.0
   53    52    59    33   0.49600 -1.0 2.0
   53    52    59    60   0.06100 -1.0 2.0
   59    33    37    38   0.30150 -1.0 2.0
   59    33   -37    41   0.65300  1.0 1.0
   59    33   -37    41  -0.03850 -1.0 2.0
   59    33   -37    41   0.33900  1.0 3.0
   59    33    39    40  -0.11250  1.0 3.0
   59    33    39    42  -0.95700  1.0 1.0
   59    33    39    42  -0.18200 -1.0 2.0
   59    33    39    42   0.29450  1.0 3.0
   59    33    39    46  -0.95700  1.0 1.0
   59    33    39    46  -0.18200 -1.0 2.0
   59    33    39    46   0.29450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    59    52   0.65300  1.0 1.0
   39    33    59    52  -0.03850 -1.0 2.0
   39    33    59    52   0.33900  1.0 3.0
   39    33    59    60   0.30150 -1.0 2.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    49   0.15000  1.0 3.0
   42    39    46    47   0.15000  1.0 3.0
   42    39    46    48   0.15000  1.0 3.0
   42    39    46    49   0.15000  1.0 3.0
   46    39    42    43   0.15000  1.0 3.0
   46    39    42    44   0.15000  1.0 3.0
   46    39    42    45   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
   33    41    37    38  10.50000 -1.0 2.0
   50    62    41    37   4.00000 -1.0 2.0
   51    52    50    41   4.00000 -1.0 2.0
   54    55    51    50   4.00000 -1.0 2.0
   61    68    54    51   4.00000 -1.0 2.0
   62    63    61    54   4.00000 -1.0 2.0
   61    64    62    41   4.00000 -1.0 2.0
   75    79    78    80  15.00000 -1.0 2.0
   81    82    80    78  15.00000 -1.0 2.0
   50    59    52    53  10.50000 -1.0 2.0
   33    52    59    60  10.50000 -1.0 2.0
END
