* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    156    251     455
    1     0 S   NP   _N1_     1    28.73449    93.90413   -20.94237
    2     1 S   H    _HN1     2     1.02833    26.49522   162.35354
    3     1 S   H    _H1_     3     1.02776    91.09969   -67.00931
    4     1 S   H    _H2_     4     1.02969    94.14564    41.45379
    5     1 S   CT   _CA1     5     1.50131   137.17473   167.69621
    6     5 S   HC   _HA1     6     1.09576   105.23754    56.60581
    7     5 S   CO3  _C1_     7     1.53785   112.34743   -63.55606
    8     7 S   O2Z  _O11     8     1.26347   115.00328   -44.15325
    9     7 S   O2Z  _O12     9     1.26242   114.90991   134.96419
   10     5 S   CT   _CB1    10     1.53076   107.39069   174.44960
   11    10 S   HC   HB11    11     1.09817   109.27647   -51.21029
   12    10 S   HC   HB12    12     1.09830   110.41717    65.30950
   13    10 S   CT   _CG1    13     1.53002   112.72279  -172.41892
   14    13 S   HC   HG11    14     1.09594   110.25426   -62.85204
   15    13 S   HC   HG12    15     1.09631   110.18697    56.35309
   16    13 S   C    _CD1    16     1.51812   112.18793   176.50514
   17    16 S   O    _OE1    17     1.22735   123.18823   -11.15487
   18    16 S   N    _N2_    18     1.38603   111.70132   169.48828
   19    18 S   H    _HN2    19     1.01586   119.02932     1.09754
   20    18 S   CT1  _CA2    20     1.46281   123.41097  -177.51698
   21    20 S   HC   _HA2    21     1.09732   109.33931   -14.80742
   22    20 S   C    _C2_    22     1.53392   108.39089  -130.57516
   23    22 S   O    _O2_    23     1.23010   122.26734  -146.37694
   24    20 S   CT   _CB2    32     1.53443   111.22447   107.22676
   25    24 S   HC   HB21    33     1.09601   109.60289    54.97919
   26    24 S   HC   HB22    34     1.09499   110.77691   173.91852
   27    22 S   N    _N3_    24     1.38520   113.32961    41.04860
   28    27 S   H    _HN3    25     1.01533   118.86646    -0.71601
   29    24 S   S    _SG2    35     1.82589   111.60336   -66.20774
   30    27 S   CT   _CA3    26     1.45451   123.51260   175.05823
   31    30 S   HC   HA31    27     1.09519   109.29912    23.01536
   32    30 S   HC   HA32    28     1.09496   107.10268   140.03688
   33    29 S   CT   _C24    36     1.83395    99.07586   159.13742
   34    33 S   HC   _H6_    37     1.09564   108.70955   -51.67520
   35    30 S   CO3  _C3_    29     1.52925   113.09268  -100.50206
   36    35 S   O2Z  _O31    30     1.26404   115.40461   -44.14848
   37    35 S   O2Z  _O32    31     1.26354   114.98212   136.78581
   38    33 S   CM   _C21    38     1.53795   108.78313  -172.17108
   39    38 S   CT   _C20    39     1.52885   110.12787   -97.16421
   40    39 S   HC   _H5_    40     1.10239   105.05088    55.40210
   41    38 S   CMA  _C22    76     1.36664   121.92966    84.93413
   42    41 S   OM   _O33    77     1.26713   126.41923   177.48643
   43    39 S   CT   _C19    41     1.52776   120.80045   174.34709
   44    43 S   HC   _H19    42     1.09632   111.26895    59.71566
   45    43 S   HC   _H20    43     1.09653   109.42396   -59.94578
   46    39 S   CT   _C6_    55     1.54253   109.34491   -60.99134
   47    46 S   HC   _H4_    56     1.10008   109.88112   -84.95858
   48    41 S   OS   _O34    78     1.42176   111.29831    -0.74019
   49    43 S   CA   _C18    44     1.50654   112.16000   179.01762
   50    46 S   CT   _C5_    57     1.54735   111.34898    32.95458
   51    50 S   HC   _H3_    58     1.09929   108.86965   -88.93704
   52    48 S   CT   _C23    79     1.42846   113.71491  -134.43832
   53    52 S   HC   _H21    80     1.09398   107.70503   170.71498
   54    52 S   HC   _H22    81     1.09542   111.12835    52.55326
   55    52 S   HC   _H23    82     1.09464   111.03549   -71.30018
   56    49 S   C56A _C17    45     1.40174   122.19101   161.85706
   57    33 S   OS   _O35    59     1.43966   109.92718    64.76338
   58    50 S   CT   _C4_    60     1.52265   115.34343   150.91105
   59    58 S   HC   _H7_    61     1.09502   111.64294   -66.35231
   60    58 S   HC   _H8_    62     1.09591   109.93396   176.29297
   61    58 S   HC   _H9_    63     1.09395   111.43979    56.26029
   62    56 S   C56B _C10    46     1.39001   123.22978   178.23886
   63    56 S   NA   _N5_    74     1.37866   130.02700    -1.54091
   64    63 S   H    _H18    75     1.01083   124.59419     0.12972
   65    62 S   CA   _C9_    47     1.39803   118.10208    -0.24866
   66    65 S   HA   _H13    48     1.08513   121.63657   179.65850
   67    62 S   C56B _C11    64     1.43036   107.84608   179.73093
   68    65 S   CA   _C8_    49     1.38687   117.76647    -0.45413
   69    68 S   HA   _H12    50     1.08555   120.73830   179.68163
   70    67 S   CA   _C12    65     1.41065   134.16814  -179.83098
   71    70 S   HA   _H14    66     1.08630   120.78773     0.08393
   72    49 S   NAP  _N4_    51     1.35907   121.35580   -21.51996
   73    70 S   CA   _C13    67     1.39956   119.33458  -179.92338
   74    73 S   HA   _H15    68     1.08691   119.55488  -180.00000
   75    72 S   CT   _C7_    52     1.49407   122.02098     4.00365
   76    75 S   HC   _H10    53     1.09614   106.62953  -141.01593
   77    75 S   HC   _H11    54     1.09691   105.74790   102.67071
   78    73 S   CA   _C14    69     1.39291   120.71360     0.01978
   79    78 S   HA   _H16    70     1.08717   119.58161   180.00000
   80    78 S   CA   _C15    71     1.39755   120.99064     0.00000
   81    80 S   HA   _H17    72     1.08501   120.93057   179.96574
   82    67 S   C56A _C16    73     1.39350   107.25284     0.28804
  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   7   5   4   3
  13   5   2   1   1  15  19   9   9   2  12   5   4  14   8   4
  13  10   6   3   2   1   1  12   5   4   2   1   1  13   9   3
   8   4   9   5   2   7   4   3   6   3   2   1   1   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    50    51    57    58    41    42    48  
   38    39    50    57    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    75    46    47    50    57    41    42    48    52  
   40    43    44    45    49    56    72    75    76    77    46    47    50    51    57    58    41    42    48  
   43    44    45    49    75    46    47    50    41  
   42    48    52    53    54    55    43    46    57  
   48    52  
   44    45    49    56    62    68    72    75    46    47    50    63  
   45    49    56    72    46  
   49    56    72    46  
   47    50    51    57    58    59    60    61    49    68    72    75    76    77  
   50    51    57    58    72    75    76    77  
   52    53    54    55  
   56    62    65    68    69    72    75    76    77    67    82    63    64  
   51    57    58    59    60    61    72    75    76    77  
   57    58    59    60    61    75  
   53    54    55  
   54    55  
   55  
    0  
   62    65    66    68    72    75    67    70    80    82    63    64  
   58    59    60    61    75  
   59    60    61    75  
   60    61  
   61  
    0  
   65    66    68    69    72    67    70    71    73    80    82    63    64  
   64    65    67    70    72    78    80    81    82  
   67    80    82  
   66    68    69    72    75    67    70    82  
   68    69    72    67  
   70    71    73    74    78    80    81    82    68  
   69    72    75    76    77  
   72    75  
   71    73    74    78    79    80    82  
   73    74    78    82  
   75    76    77  
   74    78    79    80    81    82  
   78    79    80  
   76    77  
   77  
    0  
   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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   64   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.002500   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
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    57   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    56   469.000  1.400
   49    72   485.000  1.342
   56    62   447.000  1.419
   56    63   428.000  1.380
   62    65   469.000  1.404
   62    67   365.000  1.456
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    72   485.000  1.342
   72    75   280.000  1.457
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    57   320.000  1.410
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   67    70   469.000  1.404
   67    82   447.000  1.419
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    63   428.000  1.380
   63    64   434.000  1.010
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    57    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    57    50    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    70.00000  112.17500
   39    46    75    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    56    70.00000  120.00000
   43    49    72    70.00000  116.21300
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    56    62    85.00000  122.70000
   49    56    63    70.00000  132.80000
   49    72    68    70.00000  123.81700
   49    72    75    70.00000  119.18700
   56    62    65    85.00000  116.20000
   56    62    67    80.00000  105.47000
   56    63    82    90.00000   99.14000
   56    63    64    35.00000  123.10000
   62    65    66    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    67    70    50.00000  134.41300
   62    67    82    80.00000  105.47000
   65    68    69    35.00000  120.00000
   65    68    72    70.00000  119.29800
   68    65    66    35.00000  120.00000
   68    72    75    70.00000  119.18700
   72    49    56    70.00000  122.14000
   72    68    69    45.00000  112.84900
   72    75    76    50.00000  106.41000
   72    75    77    50.00000  106.41000
   72    75    46    75.00000  109.47200
   75    46    47    37.50000  110.70000
   75    46    50    58.35000  112.70000
   77    75    76    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    75    76    37.50000  110.70000
   46    75    77    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    57    50.00000  109.50000
   46    50    58    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   57    33    34    35.00000  109.50000
   57    33    38    85.00000  110.90400
   57    50    51    35.00000  109.50000
   58    50    51    37.50000  110.70000
   58    50    57    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   67    62    65    50.00000  134.41300
   67    70    71    35.00000  120.00000
   67    70    73    63.00000  120.00000
   67    82    80    85.00000  122.70000
   67    82    63    70.00000  104.40000
   70    73    74    35.00000  120.00000
   70    73    78    63.00000  120.00000
   73    70    71    35.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    80    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    85.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    63    70.00000  132.80000
   82    67    70    85.00000  116.20000
   82    80    81    35.00000  120.00000
   82    63    64    35.00000  123.10000
   63    56    62    70.00000  104.40000
   41    38    39    70.00000  124.00000
   41    48    52    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50  -0.77900  1.0 1.0
   38    33    57    50  -0.36900 -1.0 2.0
   38    33    57    50   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39    43    45   0.15000  1.0 3.0
   38    39    43    49   0.21200  1.0 1.0
   38    39    43    49   0.16900 -1.0 2.0
   38    39    43    49  -1.15100  1.0 3.0
   38    39    46    75   0.34400  1.0 1.0
   38    39    46    75   0.09450 -1.0 2.0
   38    39    46    75   0.11100  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39   -46    50   0.34400  1.0 1.0
   38    39   -46    50   0.09450 -1.0 2.0
   38    39   -46    50   0.11100  1.0 3.0
   38    41    48    52  -2.26850  1.0 1.0
   38    41    48    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    56   0.04150 -1.0 2.0
   39    43    49    72   0.29300  1.0 1.0
   39    43    49    72  -1.19700 -1.0 2.0
   39    43    49    72   0.60900  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    57   0.62750  1.0 1.0
   39    46    50    57  -0.30950 -1.0 2.0
   39    46    50    57   0.27300  1.0 3.0
   39    46    50    58   0.56750  1.0 1.0
   39    46    50    58  -0.07550 -1.0 2.0
   39    46    50    58   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.43200  1.0 3.0
   40    39    46    75   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   43    39    46    75   0.56750  1.0 1.0
   43    39    46    75  -0.07550 -1.0 2.0
   43    39    46    75   0.20000  1.0 3.0
   43    39    46    47   0.15000  1.0 3.0
   43    39    46    50   0.56750  1.0 1.0
   43    39    46    50  -0.07550 -1.0 2.0
   43    39    46    50   0.20000  1.0 3.0
   43    49    56    62   3.62500 -1.0 2.0
   43    49    56    63   3.62500 -1.0 2.0
   43    49    72    68   3.62500 -1.0 2.0
   43    49   -72    75   3.62500 -1.0 2.0
   44    43    49    56   0.00000  1.0 1.0
   44    43    49    72   0.00000  1.0 1.0
   45    43    49    56   0.00000  1.0 1.0
   45    43    49    72   0.00000  1.0 1.0
   49    56    62    65   3.00000 -1.0 2.0
   49    56    62    67   3.00000 -1.0 2.0
   49    56    63    82   3.62500 -1.0 2.0
   49    56    63    64   1.52500 -1.0 2.0
   49    72    75    76   0.00000  1.0 1.0
   49    72    75    77   0.00000  1.0 1.0
   49    72    75    46   0.00000  1.0 1.0
   56    49    72    68   3.62500 -1.0 2.0
   56    49    72    75   3.62500 -1.0 2.0
   56    62    65    66   3.50000 -1.0 2.0
   56    62   -65    68   3.50000 -1.0 2.0
   56    62    67    70   3.50000 -1.0 2.0
   56    62   -67    82   3.50000 -1.0 2.0
   62    56   -63    82   3.62500 -1.0 2.0
   62    56    63    64   1.52500 -1.0 2.0
   62    65    68    69   3.62500 -1.0 2.0
   62    65    68    72   3.62500 -1.0 2.0
   62    67    70    71   3.62500 -1.0 2.0
   62    67    70    73   3.62500 -1.0 2.0
   62    67    82    80   3.00000 -1.0 2.0
   62    67   -82    63   3.00000 -1.0 2.0
   65    62    67    70   3.62500 -1.0 2.0
   65    62    67    82   3.50000 -1.0 2.0
   65    68   -72    49   3.62500 -1.0 2.0
   65    68    72    75   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    72   3.62500 -1.0 2.0
   68    72    75    76   0.00000  1.0 1.0
   68    72    75    77   0.00000  1.0 1.0
   68    72    75    46   0.00000  1.0 1.0
   69    68    72    49   3.62500 -1.0 2.0
   69    68    72    75   3.62500 -1.0 2.0
   72    49   -56    62   3.62500 -1.0 2.0
   72    49    56    63   3.62500 -1.0 2.0
   72    75   -46    39   0.56750  1.0 1.0
   72    75   -46    39  -0.07550 -1.0 2.0
   72    75   -46    39   0.20000  1.0 3.0
   72    75    46    47   0.15000  1.0 3.0
   72    75    46    50   0.56750  1.0 1.0
   72    75    46    50  -0.07550 -1.0 2.0
   72    75    46    50   0.20000  1.0 3.0
   75    46    50    51   0.15000  1.0 3.0
   75    46    50    57   0.62750  1.0 1.0
   75    46    50    57  -0.30950 -1.0 2.0
   75    46    50    57   0.27300  1.0 3.0
   75    46    50    58   0.56750  1.0 1.0
   75    46    50    58  -0.07550 -1.0 2.0
   75    46    50    58   0.20000  1.0 3.0
   76    75    46    39   0.15000  1.0 3.0
   76    75    46    47   0.15000  1.0 3.0
   76    75    46    50   0.15000  1.0 3.0
   77    75    46    39   0.15000  1.0 3.0
   77    75    46    47   0.15000  1.0 3.0
   77    75    46    50   0.15000  1.0 3.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39   -43    49  -0.03700  1.0 1.0
   46    39   -43    49   0.37200 -1.0 2.0
   46    39   -43    49  -0.47300  1.0 3.0
   46    50   -57    33   0.06250  1.0 1.0
   46    50   -57    33  -0.01100 -1.0 2.0
   46    50   -57    33   0.28050  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    60   0.15000  1.0 3.0
   46    50    58    61   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    57   0.23400  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   57    33   -38    39   0.09700  1.0 1.0
   57    33   -38    39   0.15600 -1.0 2.0
   57    33   -38    39  -0.50800  1.0 3.0
   57    33    38    41   0.39000  1.0 1.0
   57    33    38    41  -0.05800 -1.0 2.0
   57    33    38    41  -0.55150  1.0 3.0
   57    50    58    59   0.23400  1.0 3.0
   57    50    58    60   0.23400  1.0 3.0
   57    50    58    61   0.23400  1.0 3.0
   58    50    57    33   0.06250  1.0 1.0
   58    50    57    33  -0.01100 -1.0 2.0
   58    50    57    33   0.28050  1.0 3.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    68   3.62500 -1.0 2.0
   67    70    73    74   3.62500 -1.0 2.0
   67    70    73    78   3.62500 -1.0 2.0
   67    82   -63    56   3.62500 -1.0 2.0
   67    82    63    64   1.52500 -1.0 2.0
   70    67    82    80   3.00000 -1.0 2.0
   70    67    82    63   3.00000 -1.0 2.0
   70    73    78    79   3.62500 -1.0 2.0
   70    73   -78    80   3.62500 -1.0 2.0
   71    70    73    74   3.62500 -1.0 2.0
   71    70    73    78   3.62500 -1.0 2.0
   73    78    80    81   3.62500 -1.0 2.0
   73    78    80    82   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    80   3.62500 -1.0 2.0
   78    80   -82    67   3.62500 -1.0 2.0
   78    80    82    63   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    63    56   3.62500 -1.0 2.0
   80    82    63    64   1.52500 -1.0 2.0
   81    80    82    67   3.62500 -1.0 2.0
   81    80    82    63   3.62500 -1.0 2.0
   82    67    70    71   3.50000 -1.0 2.0
   82    67   -70    73   3.50000 -1.0 2.0
   63    56    62    65   3.00000 -1.0 2.0
   63    56   -62    67   3.00000 -1.0 2.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    52    53   0.08050  1.0 3.0
   41    48    52    54   0.08050  1.0 3.0
   41    48    52    55   0.08050  1.0 3.0
   42    41    48    52   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   56    72    49    43   4.00000 -1.0 2.0
   62    63    56    49   4.00000 -1.0 2.0
   65    67    62    56   4.00000 -1.0 2.0
   68    66    65    62   1.10000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   68    75    72    49   4.00000 -1.0 2.0
   70    82    67    62   4.00000 -1.0 2.0
   73    71    70    67   1.10000 -1.0 2.0
   78    74    73    70   1.10000 -1.0 2.0
   80    79    78    73   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    63    82    67   4.00000 -1.0 2.0
   64    56    63    82   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
