* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    156    233     464
    1     0 S   NP   _N1_     1    28.85232    96.17905   -20.66991
    2     1 S   H    _HN1     2     1.02828    40.02536   163.04022
    3     1 S   H    _H1_     3     1.02768    87.45736   -74.71046
    4     1 S   H    _H2_     4     1.02965    81.95037    34.28145
    5     1 S   CT   _CA1     5     1.50189   150.34469   151.59535
    6     5 S   HC   _HA1     6     1.09582   105.11547    66.87614
    7     5 S   CO3  _C1_     7     1.53763   112.58777   -52.95105
    8     7 S   O2Z  _O11     8     1.26352   114.96562   -36.45807
    9     7 S   O2Z  _O12     9     1.26253   114.96215   142.55245
   10     5 S   CT   _CB1    10     1.53104   107.35417  -175.34558
   11    10 S   HC   HB11    11     1.09815   109.06141   -50.89486
   12    10 S   HC   HB12    12     1.09819   110.44362    65.59329
   13    10 S   CT   _CG1    13     1.52978   112.83109  -172.13386
   14    13 S   HC   HG11    14     1.09540   110.23569   -68.63482
   15    13 S   HC   HG12    15     1.09660   110.04581    50.56593
   16    13 S   C    _CD1    16     1.51832   112.54121   170.77454
   17    16 S   O    _OE1    17     1.22713   123.30609    -2.52220
   18    16 S   N    _N2_    18     1.38630   111.56878   178.07674
   19    18 S   H    _HN2    19     1.01592   118.95516    -0.09279
   20    18 S   CT1  _CA2    20     1.46289   123.49104   179.29086
   21    20 S   HC   _HA2    21     1.09730   109.41477   -10.59056
   22    20 S   C    _C2_    22     1.53451   108.36567  -126.22257
   23    22 S   O    _O2_    23     1.23021   122.21961  -146.88388
   24    20 S   CT   _CB2    32     1.53310   111.26909   111.64312
   25    24 S   HC   HB21    33     1.09579   109.43252    54.45143
   26    24 S   HC   HB22    34     1.09492   110.90544   173.07139
   27    22 S   N    _N3_    24     1.38502   113.42404    40.54928
   28    27 S   H    _HN3    25     1.01521   118.89455    -0.73249
   29    24 S   S    _SG2    35     1.82783   111.45697   -67.51309
   30    27 S   CT   _CA3    26     1.45449   123.52718   175.11665
   31    30 S   HC   HA31    27     1.09517   109.33256    22.63024
   32    30 S   HC   HA32    28     1.09498   107.10249   139.64996
   33    29 S   CT   _C8_    36     1.84528    99.69870   144.59952
   34    33 S   HC   _H3_    37     1.08736   105.12281   -47.67098
   35    30 S   CO3  _C3_    29     1.52912   113.02981  -100.91077
   36    35 S   O2Z  _O31    30     1.26409   115.37389   -45.20392
   37    35 S   O2Z  _O32    31     1.26349   115.00422   135.71194
   38    33 S   CM   _C4_    38     1.50839   107.02477  -163.17506
   39    38 S   HC   _H23    39     1.09079   114.74917   -85.92690
   40    33 S   CT   _C12    58     1.56109   114.09586    67.68062
   41    40 S   HC   _H30    59     1.10058   104.70886   -66.64335
   42    38 S   CMA  _C5_    40     1.35765   128.25752    97.02598
   43    42 S   OM   _O18    41     1.26387   127.41221   174.26732
   44    40 S   CT   _C18    60     1.53647   114.54895    48.06787
   45    44 S   HC   _H42    61     1.09428   111.85084    57.06103
   46    44 S   HC   _H43    62     1.09418   111.66867   -63.93065
   47    44 S   HC   _H44    63     1.09572   110.64168   177.91006
   48    42 S   CT   _C9_    42     1.55908   120.11789    -6.33401
   49    48 S   HC   _H27    43     1.09705   107.33707   -26.83374
   50    48 S   CT   _C7_    44     1.55682   111.73605    91.98869
   51    50 S   HC   _H24    45     1.09347   108.78882    -2.79645
   52    50 S   HC   _H25    46     1.09760   110.28423   112.21293
   53    48 S   CT   _C15    81     1.54520   114.83396  -140.70391
   54    53 S   HC   _H33    82     1.09553   112.14542   -67.98765
   55    53 S   HC   _H34    83     1.09397   110.67620   172.47363
   56    53 S   HC   _H35    84     1.09582   110.89570    53.37926
   57    50 S   CT   _C11    47     1.55236   113.27100  -124.65677
   58    57 S   HC   _H29    48     1.09362   109.31874    42.31777
   59    57 S   CT   _C13    49     1.55093   113.72410   161.04352
   60    59 S   HC   _H31    50     1.09769   107.57988  -178.70517
   61    57 S   CT   _C17    77     1.53549   110.62737   -74.45922
   62    61 S   HC   _H39    78     1.09488   111.68087   -55.95796
   63    61 S   HC   _H40    79     1.09535   110.81435  -176.46797
   64    61 S   HC   _H41    80     1.09340   111.01762    64.78384
   65    59 S   CT   _C10    51     1.54160   115.86148   -57.40441
   66    65 S   HC   _H28    52     1.09781   109.49358    72.79871
   67    59 S   OH   _O21    75     1.43040   109.63523    66.08467
   68    67 S   HO   _H50    76     0.97231   107.96948   -64.60097
   69    65 S   CO4  _C6_    53     1.52243   113.09355   -48.57304
   70    69 S   O    _O19    54     1.22277   124.94024   -72.83138
   71    65 S   CT   _C16    71     1.53277   111.38175  -171.16931
   72    71 S   HC   _H36    72     1.09563   111.34465    59.23502
   73    71 S   HC   _H37    73     1.09472   111.18610   -61.40443
   74    71 S   HC   _H38    74     1.09579   110.71803   178.71763
   75    69 S   OS   _O20    55     1.36145   109.05059   108.71756
   76    75 S   CT   _C14    56     1.44621   119.61839   167.45829
   77    76 S   HC   _H32    57     1.09943   108.32228   -35.17301
   78    76 S   CT   _C20    64     1.54177   106.41286  -149.49149
   79    78 S   HC   _H48    65     1.09430   110.84265   179.27207
   80    78 S   HC   _H49    66     1.09375   110.63919   -61.23627
   81    78 S   CT   _C19    67     1.52659   112.18914    58.69580
   82    81 S   HC   _H45    68     1.09442   111.52799   -63.20086
   83    81 S   HC   _H46    69     1.09475   110.04147   177.30180
   84    81 S   HC   _H47    70     1.09459   110.95143    57.78940
  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
  16   7   2   1   1  11   4  14   8  11   4   7   3   2   1  12
   8  16   6   5   4   2   1   1  13   8  16   7   5   2   1   1
  11   8   3   1   9   3   4   2   1   1   6   8   4   6   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    76    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    75    76    77    40    41    44    45    46    47    78  
   38    39    42    76    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    50    76    40    41    44    53  
   42    43    48    40  
   41    44    45    46    47    78    79    80    81    42    69    75    76    77  
   44    45    46    47    78    75    76    77  
   43    48    49    50    51    52    57    53    54    55    56  
   48    49    50    53  
   45    46    47    78    75    76    77  
   46    47    76  
   47    76  
   76  
   49    50    51    52    57    58    59    61    53    54    55    56  
   50    51    52    57    53    54    55    56  
   51    52    57    58    59    60    65    67    61    62    63    64    53    54    55    56  
   52    57    58    59    61    53  
   57    58    59    61    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    65    66    69    71    67    68    61    62    63    64  
   59    60    65    67    61    62    63    64  
   60    65    66    69    70    75    71    72    73    74    67    68    61    62    63    64  
   65    66    69    71    67    68    61  
   62    63    64    65    67  
   63    64  
   64  
    0  
   66    69    70    75    76    71    72    73    74    67    68  
   69    70    75    71    72    73    74    67  
   68    69    71  
    0  
   70    75    76    77    78    71    72    73    74  
   75    76    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   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   2.5000   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   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    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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   320.000  1.410
   65    66   340.000  1.090
   65    69   317.000  1.522
   65    71   268.000  1.529
   69    70   570.000  1.229
   69    75   214.000  1.327
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    40   268.000  1.529
   76    78   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   67    68   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    76    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    48    49    45.00000  110.52000
   42    48    50    70.00000  112.02700
   42    48    53    70.00000  112.02700
   48    42    43    85.00000  112.85300
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    57    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   50    48    49    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    58.35000  112.70000
   50    57    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    65    58.35000  112.70000
   57    59    67    50.00000  109.50000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    69    63.00000  111.10000
   59    65    71    58.35000  112.70000
   59    67    68    55.00000  108.50000
   65    59    60    37.50000  110.70000
   65    69    70    80.00000  120.40000
   65    69    75    81.00000  111.40000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   69    65    66    35.00000  109.50000
   69    75    76    83.00000  116.90000
   75    69    70    83.00000  123.40000
   75    76    77    35.00000  109.50000
   75    76    40    50.00000  109.50000
   75    76    78    50.00000  109.50000
   76    40    41    37.50000  110.70000
   76    40    44    58.35000  112.70000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    76    77    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   78    76    77    37.50000  110.70000
   78    76    40    58.35000  112.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    69    63.00000  111.10000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    65    50.00000  109.50000
   61    57    58    37.50000  110.70000
   61    57    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    76   0.44750  1.0 1.0
   29    33    40    76  -0.17800 -1.0 2.0
   29    33    40    76   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    76   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    76   0.34400  1.0 1.0
   38    33    40    76   0.09450 -1.0 2.0
   38    33    40    76   0.11100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    53   0.09850  1.0 1.0
   38    42    48    53   0.15250 -1.0 2.0
   38    42    48    53  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    52   0.15000  1.0 3.0
   42    48    50    57   0.34400  1.0 1.0
   42    48    50    57   0.09450 -1.0 2.0
   42    48    50    57   0.11100  1.0 3.0
   42    48    53    54   0.15000  1.0 3.0
   42    48    53    55   0.15000  1.0 3.0
   42    48    53    56   0.15000  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.09700  1.0 1.0
   43    42    48    50   0.15600 -1.0 2.0
   43    42    48    50  -0.50800  1.0 3.0
   43    42    48    53   0.09700  1.0 1.0
   43    42    48    53   0.15600 -1.0 2.0
   43    42    48    53  -0.50800  1.0 3.0
   48    50    57    58   0.15000  1.0 3.0
   48    50    57    59   0.56750  1.0 1.0
   48    50    57    59  -0.07550 -1.0 2.0
   48    50    57    59   0.20000  1.0 3.0
   48    50    57    61   0.56750  1.0 1.0
   48    50    57    61  -0.07550 -1.0 2.0
   48    50    57    61   0.20000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    57   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    56   0.15000  1.0 3.0
   50    57    59    60   0.15000  1.0 3.0
   50    57    59    65   0.56750  1.0 1.0
   50    57    59    65  -0.07550 -1.0 2.0
   50    57    59    65   0.20000  1.0 3.0
   50    57    59    67   0.86500  1.0 1.0
   50    57    59    67  -0.17500 -1.0 2.0
   50    57    59    67   0.20800  1.0 3.0
   50    57    61    62   0.15000  1.0 3.0
   50    57    61    63   0.15000  1.0 3.0
   50    57    61    64   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    61   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    61   0.15000  1.0 3.0
   57    59    65    66   0.15000  1.0 3.0
   57    59    65    69  -0.95700  1.0 1.0
   57    59    65    69  -0.18200 -1.0 2.0
   57    59    65    69   0.29450  1.0 3.0
   57    59    65    71   0.56750  1.0 1.0
   57    59    65    71  -0.07550 -1.0 2.0
   57    59    65    71   0.20000  1.0 3.0
   57    59    67    68  -0.11600  1.0 1.0
   57    59    67    68  -0.09450 -1.0 2.0
   57    59    67    68   0.21250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    65   0.15000  1.0 3.0
   58    57    59    67   0.23400  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    64   0.15000  1.0 3.0
   59    65    69    70   0.30150 -1.0 2.0
   59    65    69    75   0.36750  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    74   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    69  -0.11250  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    59    67    68  -0.11600  1.0 1.0
   65    59    67    68  -0.09450 -1.0 2.0
   65    59    67    68   0.21250  1.0 3.0
   65    69    75    76   1.63150  1.0 1.0
   65    69    75    76   2.92000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    75   0.00000  1.0 1.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   69    65    71    72  -0.11250  1.0 3.0
   69    65    71    73  -0.11250  1.0 3.0
   69    65    71    74  -0.11250  1.0 3.0
   69    75    76    77   0.08050  1.0 3.0
   69    75    76    40  -0.25900  1.0 1.0
   69    75    76    40  -0.47000 -1.0 2.0
   69    75    76    40   0.11750  1.0 3.0
   69    75    76    78  -0.25900  1.0 1.0
   69    75    76    78  -0.47000 -1.0 2.0
   69    75    76    78   0.11750  1.0 3.0
   70    69    75    76   3.00000 -1.0 2.0
   75    76    40    33   0.62750  1.0 1.0
   75    76    40    33  -0.30950 -1.0 2.0
   75    76    40    33   0.27300  1.0 3.0
   75    76    40    41   0.23400  1.0 3.0
   75    76    40    44   0.62750  1.0 1.0
   75    76    40    44  -0.30950 -1.0 2.0
   75    76    40    44   0.27300  1.0 3.0
   75    76    78    79   0.23400  1.0 3.0
   75    76    78    80   0.23400  1.0 3.0
   75    76    78    81   0.62750  1.0 1.0
   75    76    78    81  -0.30950 -1.0 2.0
   75    76    78    81   0.27300  1.0 3.0
   76    40    44    45   0.15000  1.0 3.0
   76    40    44    46   0.15000  1.0 3.0
   76    40    44    47   0.15000  1.0 3.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.15000  1.0 3.0
   77    76    40    33   0.15000  1.0 3.0
   77    76    40    41   0.15000  1.0 3.0
   77    76    40    44   0.15000  1.0 3.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    76    78    79   0.15000  1.0 3.0
   40    76    78    80   0.15000  1.0 3.0
   40    76    78    81   0.56750  1.0 1.0
   40    76    78    81  -0.07550 -1.0 2.0
   40    76    78    81   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   78    76    40    33   0.56750  1.0 1.0
   78    76    40    33  -0.07550 -1.0 2.0
   78    76    40    33   0.20000  1.0 3.0
   78    76    40    41   0.15000  1.0 3.0
   78    76    40    44   0.56750  1.0 1.0
   78    76    40    44  -0.07550 -1.0 2.0
   78    76    40    44   0.20000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   71    65    69    70   0.30150 -1.0 2.0
   71    65    69    75   0.36750  1.0 3.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    69  -0.09450  1.0 1.0
   67    59    65    69  -1.12950 -1.0 2.0
   67    59    65    69   0.54000  1.0 3.0
   67    59    65    71   0.86500  1.0 1.0
   67    59    65    71  -0.17500 -1.0 2.0
   67    59    65    71   0.20800  1.0 3.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    65   0.56750  1.0 1.0
   61    57    59    65  -0.07550 -1.0 2.0
   61    57    59    65   0.20000  1.0 3.0
   61    57    59    67   0.86500  1.0 1.0
   61    57    59    67  -0.17500 -1.0 2.0
   61    57    59    67   0.20800  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    57   0.56750  1.0 1.0
   53    48    50    57  -0.07550 -1.0 2.0
   53    48    50    57   0.20000  1.0 3.0
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
   33    39    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   65    75    69    70  10.50000 -1.0 2.0
END
