* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    147    221     431
    1     0 S   NP   _N1_     1    29.55823    91.91647   -23.47108
    2     1 S   H    _HN1     2     1.02828    17.23986  -158.07337
    3     1 S   H    _H1_     3     1.02775   108.76890   -67.99732
    4     1 S   H    _H2_     4     1.02976    90.85633    41.69227
    5     1 S   CT   _CA1     5     1.50150   123.65040   157.03048
    6     5 S   HC   _HA1     6     1.09583   105.22330    72.17134
    7     5 S   CO3  _C1_     7     1.53776   112.37101   -47.91260
    8     7 S   O2Z  _O11     8     1.26349   115.01019   -44.07610
    9     7 S   O2Z  _O12     9     1.26247   114.91984   135.03364
   10     5 S   CT   _CB1    10     1.53090   107.35098  -170.06876
   11    10 S   HC   HB11    11     1.09828   109.16927   -52.03543
   12    10 S   HC   HB12    12     1.09825   110.44454    64.41848
   13    10 S   CT   _CG1    13     1.53011   112.79364  -173.26349
   14    13 S   HC   HG11    14     1.09598   110.34248   -64.84531
   15    13 S   HC   HG12    15     1.09649   110.09024    54.39872
   16    13 S   C    _CD1    16     1.51798   112.24560   174.52160
   17    16 S   O    _OE1    17     1.22747   123.24769    -6.37215
   18    16 S   N    _N2_    18     1.38637   111.77127   174.21016
   19    18 S   H    _HN2    19     1.01622   119.00294    -0.55638
   20    18 S   CT1  _CA2    20     1.46088   123.26677   179.29668
   21    20 S   HC   _HA2    21     1.09695   109.11182   -16.54754
   22    20 S   C    _C2_    22     1.53342   108.28574  -132.02324
   23    22 S   O    _O2_    23     1.23024   122.34735  -146.61381
   24    20 S   CT   _CB2    32     1.53529   112.14924   105.43501
   25    24 S   HC   HB21    33     1.09545   110.29636    57.23971
   26    24 S   HC   HB22    34     1.09530   109.65608   176.12192
   27    22 S   N    _N3_    24     1.38419   113.47576    40.80973
   28    27 S   H    _HN3    25     1.01613   119.35598    -1.95405
   29    24 S   S    _SG2    35     1.82690   111.88557   -64.01040
   30    27 S   CT   _CA3    26     1.45351   122.75879   178.07288
   31    30 S   HC   HA31    27     1.09544   108.02970   -58.24792
   32    30 S   HC   HA32    28     1.09571   107.50724    57.88567
   33    29 S   CT   _C6_    36     1.83451    99.82902  -167.50316
   34    33 S   HC   _H3_    37     1.09583   107.14199    49.93710
   35    30 S   CO3  _C3_    29     1.52829   113.61763  -179.40785
   36    35 S   O2Z  _O31    30     1.26484   115.45754    35.43255
   37    35 S   O2Z  _O32    31     1.26305   114.93382  -145.06997
   38    33 S   CO4  _C5_    38     1.51716   110.50727   -68.71069
   39    38 S   O    _O34    39     1.22365   125.76260   -27.11962
   40    33 S   CT   _C7_    45     1.53176   109.86654   170.43339
   41    40 S   HC   _H9_    46     1.09757   110.63532    56.77577
   42    40 S   HC   _H10    47     1.09761   110.06911   174.00416
   43    38 S   OS   _O33    40     1.36762   108.95755   154.31581
   44    40 S   C    _C8_    48     1.51946   112.42381   -67.45998
   45    44 S   O    _O35    49     1.22928   122.37599   -31.42055
   46    43 S   CT   _C4_    41     1.43076   115.26980   179.31614
   47    46 S   HC   _H6_    42     1.09327   108.10113   179.43352
   48    46 S   HC   _H7_    43     1.09423   110.30468    60.73806
   49    46 S   HC   _H8_    44     1.09419   110.25457   -61.88950
   50    44 S   N    _N4_    50     1.38389   112.58481   148.79051
   51    50 S   H    _H11    51     1.01559   119.53678     1.51904
   52    50 S   CT   _C9_    52     1.45720   123.13875  -174.45454
   53    52 S   HC   _H12    53     1.09582   108.53441   -29.28225
   54    52 S   HC   _H13    54     1.09526   106.73845  -145.13282
   55    52 S   CT1  _C10    55     1.53642   112.38335    92.79562
   56    55 S   HC   _H4_    56     1.09732   108.60438  -178.09135
   57    55 S   CO3  _C11    57     1.54137   108.65080    65.01458
   58    57 S   O2Z  _O37    58     1.26425   114.91347    68.46882
   59    57 S   O2Z  _O36    59     1.26427   115.67899  -111.69683
   60    55 S   N    _N5_    60     1.46314   111.40716   -60.17019
   61    60 S   H    _H14    61     1.01676   116.23247    97.31652
   62    60 S   C    _C12    62     1.38245   123.27341   -79.98670
   63    62 S   O    _O38    63     1.22921   124.90332    -3.46617
   64    62 S   CT1  _C13    64     1.52212   112.88506   173.00389
   65    64 S   HC   _H5_    65     1.09454   110.83876    14.42260
   66    64 S   CT   _C14    66     1.53347   111.04803   138.86520
   67    66 S   HC   _H15    67     1.09844   109.60659   -53.52258
   68    66 S   HC   _H16    68     1.09836   110.57212    61.94813
   69    64 S   NP   _N6_    81     1.49647   107.95734  -101.25577
   70    69 S   H    _H22    82     1.03160   110.83914    54.87322
   71    69 S   H    _H23    83     1.02885   111.53957   -63.94807
   72    69 S   H    _H24    84     1.02800   111.97280   174.86886
   73    66 S   CA   _C15    69     1.50966   113.14969  -174.39772
   74    73 S   CA   _C16    70     1.40200   120.53031  -105.70718
   75    74 S   HA   _H17    71     1.08719   120.53031    -1.22701
   76    74 S   CA   _C17    72     1.39519   120.43766   178.62300
   77    76 S   HA   _H18    73     1.08628   119.92555  -179.90109
   78    76 S   CA   _C18    74     1.39126   119.64038    -0.23821
   79    78 S   CA   _C19    75     1.39193   120.78554     0.47064
   80    79 S   HA   _H19    76     1.08618   120.93289   179.84174
   81    78 S   OH   _O39    79     1.36571   118.15460  -179.56704
   82    81 S   HO   _H21    80     0.97623   108.60287   171.27499
   83    73 S   CA   _C20    77     1.40238   120.38473    73.24089
   84    83 S   HA   _H20    78     1.08736   120.33460     1.39522
  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
  11   7   2   1   1  10   3   8   4   3   4   7   3   3   2   1
   1   8   4  10   5   4   9   6   5   2   1   7   3  11   4  11
   8  13   5   4   4   2   1   1   9   8   4   7   3   6   5   3
   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    40    41    42    44    45    50  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    46    47    48    49    40    41    42    44  
   43    46    40  
   41    42    44    45    50    51    52    43  
   42    44    45    50  
   44    45    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    60  
   52    53    54    55  
   53    54    55    56    57    58    59    60    61    62  
   54    55    56    57    60  
   55    56    57    60  
   56    57    58    59    60    61    62    63    64  
   57    58    59    60    61    62  
   58    59    60    61    62  
   59    60  
   60  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64    65    66    67    68    73    69    70    71    72  
   64    65    66    69  
   65    66    67    68    73    74    83    69    70    71    72  
   66    67    68    73    69    70    71    72  
   67    68    73    74    75    76    79    83    84    69    70    71    72  
   68    73    74    83    69  
   73    74    83    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80    83    84  
   75    76    77    78    79    83    84    81  
   76    77    78    83  
   77    78    79    80    83    81    82  
   78    79    81  
   79    80    83    84    81    82  
   80    83    84    81    82  
   83    84    81  
   82    83  
    0  
   84  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   214.000  1.327
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    50   490.000  1.335
   50    51   434.000  1.010
   50    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   55    60   337.000  1.449
   57    58   656.000  1.250
   57    59   656.000  1.250
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   317.000  1.510
   73    74   469.000  1.400
   73    83   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    81   450.000  1.364
   79    80   367.000  1.080
   79    83   469.000  1.400
   83    84   367.000  1.080
   81    82   553.000  0.945
   69    70   434.000  1.010
   69    71   434.000  1.010
   69    72   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    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    81.00000  111.40000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    46    83.00000  116.90000
   43    38    39    83.00000  123.40000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    45    80.00000  120.40000
   40    44    50    70.00000  116.60000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    50    51    35.00000  119.80000
   44    50    52    50.00000  121.90000
   50    44    45    80.00000  122.90000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    70.00000  110.72300
   52    50    51    38.00000  118.40000
   52    55    56    37.50000  110.70000
   52    55    57    63.00000  111.10000
   52    55    60    80.00000  109.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    70.00000  117.00000
   55    57    59    70.00000  117.00000
   55    60    61    38.00000  118.40000
   55    60    62    50.00000  121.90000
   57    55    56    35.00000  109.50000
   59    57    58    80.00000  126.00000
   60    55    56    35.00000  109.50000
   60    55    57    63.00000  110.10000
   60    62    63    80.00000  122.90000
   60    62    64    70.00000  116.60000
   62    60    61    35.00000  119.80000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  111.10000
   62    64    69    80.00000  111.20000
   64    62    63    80.00000  120.40000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    73    63.00000  114.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   66    64    65    37.50000  110.70000
   66    73    74    70.00000  120.00000
   66    73    83    70.00000  120.00000
   68    66    67    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    83    79    63.00000  120.00000
   73    83    84    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    81    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  120.00000
   78    79    83    63.00000  120.00000
   78    81    82    35.00000  113.00000
   79    83    84    35.00000  120.00000
   83    73    74    63.00000  120.00000
   83    79    80    35.00000  120.00000
   81    78    79    70.00000  120.00000
   69    64    65    35.00000  109.50000
   69    64    66    80.00000  111.20000
   71    69    70    35.00000  109.50000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.30150 -1.0 2.0
   29    33    38    43   0.40000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    46   1.63150  1.0 1.0
   33    38    43    46   2.92000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    50   1.39750  1.0 1.0
   33    40    44    50  -0.07950 -1.0 2.0
   33    40    44    50  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    43    46    47   0.08050  1.0 3.0
   38    43    46    48   0.08050  1.0 3.0
   38    43    46    49   0.08050  1.0 3.0
   39    38    43    46   3.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   0.36750  1.0 3.0
   40    44    50    51   2.45000 -1.0 2.0
   40    44    50    52   1.49850  1.0 1.0
   40    44    50    52   1.53950 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    50   0.00000  1.0 1.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.00000  1.0 1.0
   44    50    52    55  -0.43950  1.0 1.0
   44    50    52    55  -0.08100 -1.0 2.0
   44    50    52    55   0.03350  1.0 3.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   3.04450 -1.0 2.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57  -4.61400  1.0 1.0
   50    52    55    60   2.20050  1.0 1.0
   50    52    55    60   0.63450 -1.0 2.0
   50    52    55    60  -0.91300  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    59   0.00000  1.0 1.0
   52    55    60    61   0.00000  1.0 1.0
   52    55    60    62   0.25950  1.0 1.0
   52    55    60    62   0.43850 -1.0 2.0
   52    55    60    62   2.61650  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57  -0.03800  1.0 3.0
   53    52    55    60   0.23200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57  -0.03800  1.0 3.0
   54    52    55    60   0.23200  1.0 3.0
   55    60    62    63   3.04450 -1.0 2.0
   55    60    62    64   1.15000  1.0 1.0
   55    60    62    64   3.04450 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    62  -0.29800  1.0 1.0
   57    55    60    62   0.13950 -1.0 2.0
   57    55    60    62  -2.45650  1.0 3.0
   60    55    57    58   0.00000  1.0 1.0
   60    55    57    59   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.93250  1.0 1.0
   60    62    64    66   0.04450 -1.0 2.0
   60    62    64    66   0.17550  1.0 3.0
   60    62    64    69   0.37150  1.0 1.0
   60    62    64    69   1.25400 -1.0 2.0
   60    62    64    69  -0.40250  1.0 3.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   62    64    66    67  -0.03800  1.0 3.0
   62    64    66    68  -0.03800  1.0 3.0
   62    64    66    73  -0.84850  1.0 1.0
   62    64    66    73  -0.22800 -1.0 2.0
   62    64    66    73   0.29250  1.0 3.0
   62    64    69    70   0.17350  1.0 3.0
   62    64    69    71   0.17350  1.0 3.0
   62    64    69    72   0.17350  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.00000  1.0 1.0
   64    66    73    74   0.00000  1.0 1.0
   64    66    73    83   0.00000  1.0 1.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    73   0.23100  1.0 3.0
   65    64    69    70   0.13050  1.0 3.0
   65    64    69    71   0.13050  1.0 3.0
   65    64    69    72   0.13050  1.0 3.0
   66    64    69    70   0.17350  1.0 3.0
   66    64    69    71   0.17350  1.0 3.0
   66    64    69    72   0.17350  1.0 3.0
   66    73    74    75   3.62500 -1.0 2.0
   66    73    74    76   3.62500 -1.0 2.0
   66    73    83    79   3.62500 -1.0 2.0
   66    73    83    84   3.62500 -1.0 2.0
   67    66    73    74   0.00000  1.0 1.0
   67    66    73    83   0.00000  1.0 1.0
   68    66    73    74   0.00000  1.0 1.0
   68    66    73    83   0.00000  1.0 1.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   74    73    83    79   3.62500 -1.0 2.0
   74    73    83    84   3.62500 -1.0 2.0
   74    76   -78    79   3.62500 -1.0 2.0
   74    76    78    81   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    79    80   3.62500 -1.0 2.0
   76    78    79    83   3.62500 -1.0 2.0
   76    78    81    82   0.84100 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    81   3.62500 -1.0 2.0
   78    79   -83    73   3.62500 -1.0 2.0
   78    79    83    84   3.62500 -1.0 2.0
   79    78    81    82   0.84100 -1.0 2.0
   80    79    83    73   3.62500 -1.0 2.0
   80    79    83    84   3.62500 -1.0 2.0
   83    73    74    75   3.62500 -1.0 2.0
   83    73   -74    76   3.62500 -1.0 2.0
   81    78    79    80   3.62500 -1.0 2.0
   81    78    79    83   3.62500 -1.0 2.0
   69    64    66    67   0.23200  1.0 3.0
   69    64    66    68   0.23200  1.0 3.0
   69    64    66    73   0.42250  1.0 1.0
   69    64    66    73  -0.48100 -1.0 2.0
   69    64    66    73   0.35650  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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   40    50    44    45  10.50000 -1.0 2.0
   51    44    50    52   1.00000 -1.0 2.0
   58    55    57    59  10.50000 -1.0 2.0
   61    62    60    55   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   74    83    73    66   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   79    81    78    76   4.00000 -1.0 2.0
   83    80    79    78   1.10000 -1.0 2.0
   79    84    83    73   1.10000 -1.0 2.0
END
